#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx5 s MET 1 N 0.00 4.26 0.78 -0.14 -2.45 -1.26 -5.00 119.30 115.49 3hx5 s MET 1 Ca 0.00 2.18 -0.10 0.00 -1.25 0.00 0.00 55.69 56.52 3hx5 s MET 1 Cb 0.00 -3.40 0.08 0.00 1.25 0.00 0.00 34.83 32.76 3hx5 s MET 1 CO 0.00 -0.59 1.12 -1.54 1.05 0.00 0.00 175.02 175.07 3hx5 s SER 2 N 1.65 4.53 0.37 1.11 1.04 -1.26 -5.02 113.70 116.12 3hx5 s SER 2 Ca 0.68 0.61 -0.28 0.00 0.48 0.00 0.00 55.95 57.44 3hx5 s SER 2 Cb -0.38 -1.13 -0.10 0.00 0.10 0.00 0.00 66.02 64.51 3hx5 s SER 2 CO 0.30 -1.84 1.41 -0.55 0.98 0.00 0.00 173.24 173.54 3hx5 s SER 3 N -4.58 6.42 0.45 7.02 0.15 -1.26 -4.92 113.70 116.98 3hx5 s SER 3 Ca 0.62 2.88 0.31 0.00 0.70 0.00 0.00 55.95 60.47 3hx5 s SER 3 Cb -0.10 -2.66 1.46 0.00 -1.71 0.00 0.00 66.02 63.01 3hx5 s SER 3 CO 0.48 -0.80 1.93 0.06 1.20 0.00 0.00 173.24 176.11 3hx5 h GLN 4 N 3.01 0.00 -0.01 5.44 3.07 -1.95 -2.49 115.11 122.17 3hx5 h GLN 4 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.24 3hx5 h GLN 4 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.80 3hx5 h GLN 4 CO 0.64 0.00 -0.41 0.44 0.09 0.00 0.00 178.83 179.59 3hx5 n ILE 5 N -2.69 0.00 -1.85 1.86 -5.35 -1.26 -5.01 119.36 105.07 3hx5 n ILE 5 Ca -0.00 -0.30 -0.42 0.00 -0.27 0.00 0.00 62.75 61.77 3hx5 n ILE 5 Cb 0.18 1.13 -0.02 0.00 -1.74 0.00 0.00 39.64 39.19 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 -1.94 4.17 -0.30 6.28 3.52 -0.94 -4.79 118.95 124.95 3hx5 s ARG 6 Ca 0.10 2.49 -0.02 0.00 -0.13 0.00 0.00 55.73 58.17 3hx5 s ARG 6 Cb 0.12 -3.07 0.19 0.00 -1.56 0.00 0.00 34.95 30.63 3hx5 s ARG 6 CO 0.43 -0.59 0.67 -1.14 -0.81 0.00 0.00 175.30 173.86 3hx5 s GLN 7 N -0.09 0.51 -0.55 5.12 0.74 -1.26 -4.94 119.66 119.19 3hx5 s GLN 7 Ca 0.64 0.88 0.00 0.00 0.05 0.00 0.00 55.36 56.94 3hx5 s GLN 7 Cb -0.46 0.49 0.00 0.00 1.10 0.00 0.00 33.01 34.14 3hx5 s GLN 7 CO 0.43 -0.58 0.00 -1.71 -0.55 0.00 0.00 175.29 172.88 3hx5 n ASN 8 N 5.43 -3.14 -4.17 6.67 5.15 -1.26 -5.00 115.26 118.95 3hx5 n ASN 8 Ca -0.02 0.08 -0.38 0.00 -0.60 0.00 0.00 54.58 53.66 3hx5 n ASN 8 Cb 0.52 -1.69 -0.10 0.00 -0.53 0.00 0.00 39.78 37.97 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 -2.24 3.49 0.33 1.20 5.04 -1.26 -4.79 117.35 119.12 3hx5 s TYR 9 Ca 0.00 -2.10 -0.29 0.00 -2.44 0.00 0.00 57.07 52.25 3hx5 s TYR 9 Cb 0.00 -3.29 -0.10 0.00 0.35 0.00 0.00 41.96 38.92 3hx5 s TYR 9 CO 0.00 -0.97 1.39 -1.54 -1.34 0.00 0.00 175.55 173.09 3hx5 s SER 10 N 2.20 6.62 0.60 4.32 1.04 -1.26 -4.91 113.70 122.31 3hx5 s SER 10 Ca 0.06 2.80 0.36 0.00 0.48 0.00 0.00 55.95 59.65 3hx5 s SER 10 Cb -0.24 -2.65 1.93 0.00 0.10 0.00 0.00 66.02 65.16 3hx5 s SER 10 CO -0.02 -0.67 2.23 0.71 0.98 0.00 0.00 173.24 176.47 3hx5 h THR 11 N 3.10 0.26 -0.36 2.02 1.35 -1.99 -1.36 112.91 115.94 3hx5 h THR 11 Ca -0.49 -0.19 -0.08 0.00 -0.55 0.00 0.00 66.41 65.10 3hx5 h THR 11 Cb 1.23 1.14 -0.01 0.00 -1.73 0.00 0.00 68.15 68.78 3hx5 h THR 11 CO 0.67 0.03 -0.10 0.44 -0.25 0.00 0.00 175.52 176.31 3hx5 h ASP 12 N 0.00 0.71 -0.35 5.36 3.45 -1.99 -1.97 116.42 121.63 3hx5 h ASP 12 Ca -0.00 -0.37 -0.11 0.00 0.43 0.00 0.00 57.03 56.98 3hx5 h ASP 12 Cb 0.14 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 38.70 3hx5 h ASP 12 CO 0.00 0.92 -0.17 0.58 -1.57 0.00 0.00 179.24 179.00 3hx5 h VAL 13 N 0.49 1.27 -0.65 -1.35 2.07 -1.65 -0.74 116.25 115.70 3hx5 h VAL 13 Ca 0.09 -1.28 0.02 0.00 0.82 0.00 0.00 66.70 66.35 3hx5 h VAL 13 Cb 0.61 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 3hx5 h VAL 13 CO 0.04 0.43 0.41 -0.08 0.02 0.00 0.00 177.57 178.39 3hx5 h GLU 14 N 0.72 0.80 0.00 1.57 4.81 -1.28 0.33 114.58 121.54 3hx5 h GLU 14 Ca 0.11 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.15 3hx5 h GLU 14 Cb 0.68 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 3hx5 h GLU 14 CO 0.05 0.53 -0.67 0.00 -0.73 0.00 0.00 179.01 178.19 3hx5 h ALA 15 N 1.26 0.83 -0.00 2.92 0.00 -1.19 -2.38 119.26 120.70 3hx5 h ALA 15 Ca 0.25 -0.61 -0.15 0.00 0.00 0.00 0.00 54.91 54.40 3hx5 h ALA 15 Cb -0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3hx5 h ALA 15 CO -0.08 0.84 -0.70 0.00 0.00 0.00 0.00 179.25 179.31 3hx5 h ALA 16 N 1.33 0.84 -0.08 0.00 0.00 -0.16 -2.57 119.26 118.63 3hx5 h ALA 16 Ca -0.01 -0.63 -0.05 0.00 0.00 0.00 0.00 54.91 54.22 3hx5 h ALA 16 Cb 1.23 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3hx5 h ALA 16 CO 0.09 0.86 -0.16 0.28 0.00 0.00 0.00 179.25 180.32 3hx5 h VAL 17 N 0.01 1.41 -0.84 0.00 2.07 -0.23 -1.47 116.25 117.20 3hx5 h VAL 17 Ca -0.01 -1.48 0.03 0.00 0.82 0.00 0.00 66.70 66.07 3hx5 h VAL 17 Cb 1.23 2.19 -0.05 0.00 -1.52 0.00 0.00 31.29 33.15 3hx5 h VAL 17 CO 0.09 0.42 0.55 0.78 0.02 0.00 0.00 177.57 179.43 3hx5 h ASN 18 N -0.23 0.91 0.19 0.57 2.35 -1.44 0.12 115.58 118.05 3hx5 h ASN 18 Ca 0.00 -0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.60 3hx5 h ASN 18 Cb 0.75 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 3hx5 h ASN 18 CO 0.04 0.63 -0.52 -1.28 -1.65 0.00 0.00 177.43 174.65 3hx5 h SER 19 N 1.06 0.40 0.04 5.81 0.87 -1.43 -1.62 113.55 118.68 3hx5 h SER 19 Ca 0.33 -0.20 -0.18 0.00 -1.23 0.00 0.00 61.79 60.51 3hx5 h SER 19 Cb -0.00 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 61.84 3hx5 h SER 19 CO -0.09 0.85 -0.62 0.25 -0.53 0.00 0.00 176.83 176.68 3hx5 h LEU 20 N 0.28 0.65 -0.50 2.23 5.85 -0.15 -1.48 115.31 122.19 3hx5 h LEU 20 Ca 0.01 -0.37 0.03 0.00 0.84 0.00 0.00 57.88 58.39 3hx5 h LEU 20 Cb 1.01 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.81 3hx5 h LEU 20 CO 0.09 1.11 0.28 0.58 -0.34 0.00 0.00 178.44 180.16 3hx5 h VAL 21 N 0.42 1.01 -0.40 1.05 2.07 -0.54 0.30 116.25 120.17 3hx5 h VAL 21 Ca -0.01 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 3hx5 h VAL 21 Cb 1.19 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3hx5 h VAL 21 CO 0.12 0.10 0.21 -1.13 0.02 0.00 0.00 177.57 176.89 3hx5 h ASN 22 N 0.55 0.51 -0.06 0.57 -0.73 -1.12 -0.86 115.58 114.44 3hx5 h ASN 22 Ca 0.21 -0.10 0.02 0.00 1.87 0.00 0.00 56.30 58.29 3hx5 h ASN 22 Cb 0.06 -0.13 -0.00 0.00 0.27 0.00 0.00 38.32 38.52 3hx5 h ASN 22 CO -0.12 0.47 0.04 0.25 -0.37 0.00 0.00 177.43 177.71 3hx5 h LEU 23 N 0.51 0.00 0.01 0.34 5.85 -0.22 -0.58 115.31 121.22 3hx5 h LEU 23 Ca 0.14 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.71 3hx5 h LEU 23 Cb 0.08 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.12 3hx5 h LEU 23 CO -0.02 0.00 -0.57 1.88 -0.34 0.00 0.00 178.44 179.39 3hx5 h TYR 24 N 0.00 0.55 -0.28 1.25 -1.99 -0.28 -2.35 116.97 113.88 3hx5 h TYR 24 Ca 0.03 -0.31 0.05 0.00 2.00 0.00 0.00 58.73 60.50 3hx5 h TYR 24 Cb 0.11 -0.06 -0.05 0.00 2.00 0.00 0.00 36.73 38.74 3hx5 h TYR 24 CO 0.00 1.14 -0.03 -0.07 -0.00 0.00 0.00 178.16 179.19 3hx5 h LEU 25 N -0.18 -0.18 -1.38 3.88 3.38 -0.41 0.18 115.31 120.60 3hx5 h LEU 25 Ca -0.07 0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.05 3hx5 h LEU 25 Cb 1.30 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 42.14 3hx5 h LEU 25 CO 0.11 -0.06 0.49 -0.61 0.09 0.00 0.00 178.44 178.47 3hx5 h GLN 26 N 0.04 0.71 -0.04 1.13 4.15 -1.18 0.03 115.11 119.95 3hx5 h GLN 26 Ca 0.13 -0.04 -0.19 0.00 0.77 0.00 0.00 58.65 59.32 3hx5 h GLN 26 Cb 0.19 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 3hx5 h GLN 26 CO -0.25 0.47 -0.79 0.00 -1.93 0.00 0.00 178.83 176.32 3hx5 h ALA 27 N 1.61 0.57 -0.15 3.38 0.00 -0.46 -2.46 119.26 121.74 3hx5 h ALA 27 Ca 0.34 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3hx5 h ALA 27 Cb 0.36 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3hx5 h ALA 27 CO -0.12 0.81 0.08 1.03 0.00 0.00 0.00 179.25 181.05 3hx5 h SER 28 N 0.21 0.20 -0.19 0.00 0.87 0.11 -1.94 113.55 112.80 3hx5 h SER 28 Ca -0.04 -0.10 0.05 0.00 -1.23 0.00 0.00 61.79 60.46 3hx5 h SER 28 Cb 1.38 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 63.24 3hx5 h SER 28 CO 0.13 0.24 -0.10 0.22 -0.53 0.00 0.00 176.83 176.80 3hx5 h TYR 29 N 0.13 -0.24 -0.54 2.24 3.20 -1.13 -0.17 116.97 120.46 3hx5 h TYR 29 Ca 0.05 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.06 3hx5 h TYR 29 Cb 0.10 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 3hx5 h TYR 29 CO -0.03 -0.15 0.37 1.15 -1.64 0.00 0.00 178.16 177.85 3hx5 h THR 30 N -0.08 0.84 0.00 1.81 2.02 -1.21 0.77 112.91 117.07 3hx5 h THR 30 Ca 0.11 -0.08 -0.17 0.00 0.77 0.00 0.00 66.41 67.04 3hx5 h THR 30 Cb 0.24 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 3hx5 h THR 30 CO -0.25 0.04 -0.79 1.88 0.37 0.00 0.00 175.52 176.78 3hx5 h TYR 31 N 0.24 0.00 0.62 3.16 0.05 -0.30 -2.02 116.97 118.73 3hx5 h TYR 31 Ca 0.26 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 59.01 3hx5 h TYR 31 Cb 0.68 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.43 3hx5 h TYR 31 CO -0.00 0.79 -0.30 1.25 -1.05 0.00 0.00 178.16 178.85 3hx5 h LEU 32 N 0.00 -0.71 -0.24 3.88 5.85 0.60 0.11 115.31 124.81 3hx5 h LEU 32 Ca -0.01 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.75 3hx5 h LEU 32 Cb 1.53 0.18 -0.07 0.00 0.37 0.00 0.00 40.66 42.68 3hx5 h LEU 32 CO 0.10 -0.41 -0.21 -1.28 -0.34 0.00 0.00 178.44 176.30 3hx5 h SER 33 N -0.99 -0.67 -0.86 1.25 0.87 -1.42 -0.04 113.55 111.69 3hx5 h SER 33 Ca -0.09 0.13 0.14 0.00 -1.23 0.00 0.00 61.79 60.74 3hx5 h SER 33 Cb 0.68 0.32 -0.09 0.00 -0.44 0.00 0.00 62.40 62.88 3hx5 h SER 33 CO 0.14 -0.25 0.47 -0.07 -0.53 0.00 0.00 176.83 176.59 3hx5 h LEU 34 N -0.21 0.60 0.53 2.23 3.38 -1.24 -1.18 115.31 119.42 3hx5 h LEU 34 Ca 0.13 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 3hx5 h LEU 34 Cb 0.42 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.15 3hx5 h LEU 34 CO -0.36 0.28 -0.25 1.23 0.09 0.00 0.00 178.44 179.43 3hx5 h GLY 35 N 0.69 -0.74 2.00 0.83 0.00 0.10 -2.87 103.07 103.09 3hx5 h GLY 35 Ca 0.46 0.27 0.00 0.00 0.00 0.00 0.00 47.33 48.06 3hx5 h GLY 35 CO -0.33 -0.27 0.00 0.69 0.00 0.00 0.00 176.54 176.63 3hx5 n PHE 36 N -5.36 0.69 0.06 5.60 0.99 -0.57 -1.94 117.46 116.93 3hx5 n PHE 36 Ca -0.12 0.29 -0.11 0.00 -0.00 0.00 0.00 57.45 57.52 3hx5 n PHE 36 Cb 0.31 -0.97 0.00 0.00 -1.00 0.00 0.00 39.48 37.82 3hx5 n PHE 36 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 3hx5 h TYR 37 N 0.00 0.55 -0.00 1.38 3.20 -1.00 -2.81 116.97 118.29 3hx5 h TYR 37 Ca 0.00 -0.26 0.00 0.00 3.14 0.00 0.00 58.73 61.61 3hx5 h TYR 37 Cb 0.25 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.44 3hx5 h TYR 37 CO 0.00 1.04 -0.03 1.19 -1.64 0.00 0.00 178.16 178.72 3hx5 n PHE 38 N -3.80 0.00 0.84 -3.82 3.72 -0.82 -2.84 117.46 110.75 3hx5 n PHE 38 Ca -0.05 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.46 3hx5 n PHE 38 Cb 0.75 -0.09 0.02 0.00 -0.94 0.00 0.00 39.48 39.22 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 -0.87 0.71 -4.76 4.37 4.64 -1.07 -1.85 116.55 117.73 3hx5 n ASP 39 Ca 0.19 -0.53 -0.41 0.00 -1.38 0.00 0.00 54.79 52.66 3hx5 n ASP 39 Cb 0.21 0.77 -0.00 0.00 -1.04 0.00 0.00 41.12 41.06 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 -1.66 2.58 0.25 -0.67 1.74 -1.13 -4.71 116.66 113.06 3hx5 n ARG 40 Ca 0.04 0.90 0.14 0.00 -0.77 0.00 0.00 57.85 58.16 3hx5 n ARG 40 Cb 0.37 -2.61 0.82 0.00 -1.02 0.00 0.00 32.46 30.03 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 2.90 0.00 -0.15 0.55 2.03 -1.92 0.43 116.42 120.26 3hx5 h ASP 41 Ca -0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 3hx5 h ASP 41 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 3hx5 h ASP 41 CO 0.64 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.95 3hx5 n ASP 42 N -4.01 1.66 0.00 4.15 3.85 -1.26 -4.17 116.55 116.77 3hx5 n ASP 42 Ca -0.01 -1.69 0.00 0.00 -0.71 0.00 0.00 54.79 52.38 3hx5 n ASP 42 Cb 0.18 -0.10 0.00 0.00 -1.35 0.00 0.00 41.12 39.85 3hx5 n ASP 42 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 3hx5 n VAL 43 N 0.31 0.00 -3.13 2.12 0.31 -0.39 -5.09 118.33 112.46 3hx5 n VAL 43 Ca 0.16 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.23 3hx5 n VAL 43 Cb 0.33 -1.41 0.02 0.00 -0.91 0.00 0.00 33.84 31.87 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 -2.95 -2.13 -3.50 3.52 0.00 0.14 -4.97 120.51 110.61 3hx5 n ALA 44 Ca 0.00 0.08 -0.28 0.00 0.00 0.00 0.00 53.44 53.24 3hx5 n ALA 44 Cb 0.48 -1.27 -0.11 0.00 0.00 0.00 0.00 19.45 18.55 3hx5 n ALA 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hx5 s LEU 45 N -2.75 1.83 0.24 0.00 1.43 -0.77 -5.01 118.68 113.65 3hx5 s LEU 45 Ca 0.19 -2.92 -0.09 0.00 -1.03 0.00 0.00 54.13 50.28 3hx5 s LEU 45 Cb -0.02 -0.63 0.38 0.00 0.03 0.00 0.00 46.19 45.95 3hx5 s LEU 45 CO 0.68 -0.20 1.63 -0.08 0.23 0.00 0.00 176.35 178.60 3hx5 h GLU 46 N 6.02 0.06 -0.07 1.70 4.81 -1.94 -1.01 114.58 124.15 3hx5 h GLU 46 Ca 0.18 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.43 3hx5 h GLU 46 Cb 0.91 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.24 3hx5 h GLU 46 CO 0.40 0.04 -0.10 0.78 -0.73 0.00 0.00 179.01 179.40 3hx5 h GLY 47 N 0.06 -0.05 2.00 1.92 0.00 -1.95 -0.07 103.07 104.98 3hx5 h GLY 47 Ca 0.38 0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.80 3hx5 h GLY 47 CO -0.69 -0.11 -0.20 -2.08 0.00 0.00 0.00 176.54 173.46 3hx5 h VAL 48 N -0.14 0.70 -0.02 4.60 2.07 -1.80 -1.19 116.25 120.48 3hx5 h VAL 48 Ca 0.06 -0.85 -0.13 0.00 0.82 0.00 0.00 66.70 66.60 3hx5 h VAL 48 Cb 0.23 1.53 0.01 0.00 -1.52 0.00 0.00 31.29 31.54 3hx5 h VAL 48 CO -0.16 0.20 -0.52 -1.28 0.02 0.00 0.00 177.57 175.83 3hx5 h SER 49 N 0.00 0.48 -0.79 0.57 0.87 -0.50 -3.01 113.55 111.17 3hx5 h SER 49 Ca -0.00 -0.74 -0.03 0.00 -1.23 0.00 0.00 61.79 59.79 3hx5 h SER 49 Cb 0.51 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.29 3hx5 h SER 49 CO 0.03 1.16 0.39 -0.74 -0.53 0.00 0.00 176.83 177.13 3hx5 h HIS 50 N -0.14 1.14 0.14 2.24 6.17 -0.77 -1.70 115.15 122.22 3hx5 h HIS 50 Ca -0.06 -0.05 0.00 0.00 0.71 0.00 0.00 60.37 60.97 3hx5 h HIS 50 Cb 1.22 -0.35 -0.03 0.00 2.52 0.00 0.00 27.41 30.77 3hx5 h HIS 50 CO 0.15 0.83 -0.33 0.35 0.71 0.00 0.00 177.93 179.64 3hx5 h PHE 51 N 1.12 -0.94 0.00 5.26 3.57 -1.25 0.62 116.94 125.33 3hx5 h PHE 51 Ca 0.27 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 3hx5 h PHE 51 Cb 0.11 0.39 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 3hx5 h PHE 51 CO 0.01 -0.38 -0.04 0.74 -2.23 0.00 0.00 178.31 176.41 3hx5 h PHE 52 N -0.51 0.00 -0.10 0.41 0.05 -1.50 -1.48 116.94 113.81 3hx5 h PHE 52 Ca -0.01 0.00 -0.13 0.00 3.82 0.00 0.00 57.97 61.64 3hx5 h PHE 52 Cb 0.49 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.43 3hx5 h PHE 52 CO -0.34 0.04 -0.53 0.00 -0.18 0.00 0.00 178.31 177.30 3hx5 h ARG 53 N 0.00 0.28 -0.11 1.51 3.08 -0.41 -0.84 114.38 117.88 3hx5 h ARG 53 Ca -0.00 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 3hx5 h ARG 53 Cb 0.07 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 3hx5 h ARG 53 CO 0.00 0.74 -0.02 0.93 -1.07 0.00 0.00 179.97 180.55 3hx5 h GLU 54 N 0.22 0.21 -0.87 0.04 5.08 0.12 -2.51 114.58 116.87 3hx5 h GLU 54 Ca 0.01 -0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.33 3hx5 h GLU 54 Cb 1.00 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.18 3hx5 h GLU 54 CO 0.08 0.51 0.56 -0.07 -1.00 0.00 0.00 179.01 179.09 3hx5 h LEU 55 N -0.10 0.92 -1.22 1.33 3.38 -1.28 0.15 115.31 118.49 3hx5 h LEU 55 Ca 0.03 -0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.10 3hx5 h LEU 55 Cb 0.43 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 3hx5 h LEU 55 CO 0.01 0.63 0.57 0.00 0.09 0.00 0.00 178.44 179.74 3hx5 h ALA 56 N 1.37 1.67 0.00 1.53 0.00 -1.00 0.94 119.26 123.78 3hx5 h ALA 56 Ca 0.35 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 55.09 3hx5 h ALA 56 Cb 0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3hx5 h ALA 56 CO -0.13 0.13 -0.85 1.49 0.00 0.00 0.00 179.25 179.90 3hx5 h GLU 57 N 0.84 0.00 -0.44 0.00 4.57 -0.47 -2.73 114.58 116.36 3hx5 h GLU 57 Ca 0.42 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.46 3hx5 h GLU 57 Cb 0.47 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 3hx5 h GLU 57 CO -0.18 0.85 -0.26 0.93 -1.18 0.00 0.00 179.01 179.17 3hx5 h GLU 58 N 0.00 0.95 0.00 1.92 5.08 0.12 -1.77 114.58 120.88 3hx5 h GLU 58 Ca -0.01 -0.43 -0.07 0.00 -1.00 0.00 0.00 59.36 57.85 3hx5 h GLU 58 Cb 1.52 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.74 3hx5 h GLU 58 CO 0.11 1.10 -0.32 0.87 -1.00 0.00 0.00 179.01 179.77 3hx5 h LYS 59 N 0.78 0.00 -0.45 2.33 1.79 -0.92 -1.50 116.57 118.61 3hx5 h LYS 59 Ca 0.09 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.43 3hx5 h LYS 59 Cb 0.84 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.47 3hx5 h LYS 59 CO 0.07 0.32 -0.23 -0.09 -1.08 0.00 0.00 179.45 178.43 3hx5 h ARG 60 N 0.00 0.92 0.00 3.15 2.43 -1.11 -1.83 114.38 117.94 3hx5 h ARG 60 Ca -0.00 -0.39 -0.06 0.00 -0.81 0.00 0.00 59.98 58.71 3hx5 h ARG 60 Cb 0.72 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 3hx5 h ARG 60 CO 0.04 1.05 -0.29 0.93 -1.51 0.00 0.00 179.97 180.20 3hx5 h GLU 61 N 0.79 0.00 0.61 0.20 5.08 -0.80 -2.35 114.58 118.11 3hx5 h GLU 61 Ca 0.10 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 3hx5 h GLU 61 Cb 0.79 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.05 3hx5 h GLU 61 CO 0.07 0.29 -0.29 0.78 -1.00 0.00 0.00 179.01 178.85 3hx5 h GLY 62 N 1.76 -0.85 2.00 -3.84 0.00 -0.49 -1.45 103.07 100.18 3hx5 h GLY 62 Ca -0.00 0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.62 3hx5 h GLY 62 CO 0.04 -0.31 -0.10 0.10 0.00 0.00 0.00 176.54 176.27 3hx5 h TYR 63 N -0.99 0.00 -0.20 5.60 -0.00 -1.42 -1.26 116.97 118.71 3hx5 h TYR 63 Ca -0.08 0.00 -0.17 0.00 0.00 0.00 0.00 58.73 58.47 3hx5 h TYR 63 Cb 0.63 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.35 3hx5 h TYR 63 CO 0.04 0.10 -0.58 0.93 -0.00 0.00 0.00 178.16 178.65 3hx5 h GLU 64 N 0.00 0.64 -0.18 0.10 5.08 -1.39 -1.20 114.58 117.64 3hx5 h GLU 64 Ca -0.00 -0.42 -0.17 0.00 -1.00 0.00 0.00 59.36 57.77 3hx5 h GLU 64 Cb 0.34 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 3hx5 h GLU 64 CO 0.01 1.04 -0.58 -0.09 -1.00 0.00 0.00 179.01 178.39 3hx5 h ARG 65 N 0.49 0.57 0.38 2.33 2.43 -0.38 -1.53 114.38 118.67 3hx5 h ARG 65 Ca 0.00 -0.37 -0.02 0.00 -0.81 0.00 0.00 59.98 58.78 3hx5 h ARG 65 Cb 1.15 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3hx5 h ARG 65 CO 0.11 0.98 -0.18 -0.07 -1.51 0.00 0.00 179.97 179.30 3hx5 h LEU 66 N 0.43 -0.44 -1.54 3.80 3.38 -1.15 -1.66 115.31 118.13 3hx5 h LEU 66 Ca 0.00 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 57.94 3hx5 h LEU 66 Cb 1.13 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.96 3hx5 h LEU 66 CO 0.11 -0.17 0.38 -0.07 0.09 0.00 0.00 178.44 178.77 3hx5 h LEU 67 N -0.70 0.50 0.56 1.67 3.38 -1.24 0.73 115.31 120.22 3hx5 h LEU 67 Ca -0.05 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3hx5 h LEU 67 Cb 0.49 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.14 3hx5 h LEU 67 CO 0.09 0.33 -0.27 0.50 0.09 0.00 0.00 178.44 179.18 3hx5 h LYS 68 N 0.57 -0.72 -0.65 1.13 3.11 -1.09 -2.74 116.57 116.19 3hx5 h LYS 68 Ca 0.24 0.05 -0.06 0.00 -2.81 0.00 0.00 60.65 58.07 3hx5 h LYS 68 Cb 0.22 0.16 -0.03 0.00 -1.00 0.00 0.00 32.23 31.59 3hx5 h LYS 68 CO -0.07 -0.47 0.18 1.98 -2.81 0.00 0.00 179.45 178.26 3hx5 h MET 69 N -0.76 1.00 -0.81 1.90 4.05 -0.65 -2.38 114.93 117.27 3hx5 h MET 69 Ca -0.08 -0.21 0.12 0.00 -0.28 0.00 0.00 59.70 59.25 3hx5 h MET 69 Cb 0.58 -0.15 -0.06 0.00 -0.80 0.00 0.00 31.60 31.17 3hx5 h MET 69 CO 0.13 0.87 0.53 0.37 0.23 0.00 0.00 176.91 179.04 3hx5 h GLN 70 N 0.96 0.66 0.00 0.39 5.75 -0.78 -0.75 115.11 121.34 3hx5 h GLN 70 Ca 0.21 -0.04 -0.18 0.00 -0.15 0.00 0.00 58.65 58.49 3hx5 h GLN 70 Cb 0.30 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.68 3hx5 h GLN 70 CO -0.00 0.44 -0.84 -0.91 -2.65 0.00 0.00 178.83 174.86 3hx5 h ASN 71 N 0.68 0.08 -0.07 -0.69 4.21 -1.13 0.15 115.58 118.81 3hx5 h ASN 71 Ca 0.39 -0.06 -0.12 0.00 1.21 0.00 0.00 56.30 57.72 3hx5 h ASN 71 Cb 0.57 -0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 37.74 3hx5 h ASN 71 CO -0.16 0.88 -0.32 1.56 -1.29 0.00 0.00 177.43 178.10 3hx5 h GLN 72 N 0.03 0.55 -0.00 0.81 4.20 -0.87 -2.97 115.11 116.85 3hx5 h GLN 72 Ca -0.02 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.45 3hx5 h GLN 72 Cb 1.47 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.24 3hx5 h GLN 72 CO 0.12 0.80 -0.18 0.54 -0.67 0.00 0.00 178.83 179.44 3hx5 n ARG 73 N -4.07 0.14 -0.07 1.46 5.12 -0.83 -4.91 116.66 113.49 3hx5 n ARG 73 Ca -0.01 -0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.87 3hx5 n ARG 73 Cb 0.46 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.26 3hx5 n ARG 73 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hx5 n GLY 74 N 1.45 0.76 3.76 -0.13 0.00 -1.12 -3.98 105.19 105.93 3hx5 n GLY 74 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.55 1.60 -0.12 -0.02 0.00 0.51 -4.39 107.32 103.34 3hx5 s GLY 75 Ca 0.00 -0.66 0.01 0.00 0.00 0.00 0.00 44.72 44.08 3hx5 s GLY 75 CO 0.00 -0.02 -0.16 0.50 0.00 0.00 0.00 173.10 173.42 3hx5 s ARG 76 N -5.34 2.38 0.12 2.90 1.81 -1.26 -4.43 118.95 115.13 3hx5 s ARG 76 Ca 0.66 -0.61 -0.31 0.00 -1.72 0.00 0.00 55.73 53.75 3hx5 s ARG 76 Cb -0.13 -2.04 -0.08 0.00 -0.45 0.00 0.00 34.95 32.25 3hx5 s ARG 76 CO 0.54 -0.10 1.36 0.00 -0.68 0.00 0.00 175.30 176.42 3hx5 s ALA 77 N 1.08 3.56 -0.15 2.13 0.00 -1.26 -4.97 121.76 122.15 3hx5 s ALA 77 Ca -0.04 1.09 -0.01 0.00 0.00 0.00 0.00 51.96 53.01 3hx5 s ALA 77 Cb -0.14 -3.52 0.04 0.00 0.00 0.00 0.00 23.12 19.49 3hx5 s ALA 77 CO -0.04 -0.59 -0.04 -0.51 0.00 0.00 0.00 175.76 174.58 3hx5 s LEU 78 N 0.92 1.43 0.03 0.00 1.43 -1.26 -5.14 118.68 116.09 3hx5 s LEU 78 Ca 0.63 -0.58 -0.02 0.00 -1.03 0.00 0.00 54.13 53.13 3hx5 s LEU 78 Cb -0.36 -0.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.99 3hx5 s LEU 78 CO 0.31 -0.19 0.21 -0.36 0.23 0.00 0.00 176.35 176.56 3hx5 s PHE 79 N 1.69 3.54 0.33 0.29 0.08 -1.26 -4.83 117.98 117.81 3hx5 s PHE 79 Ca 0.01 0.34 0.01 0.00 0.12 0.00 0.00 56.93 57.42 3hx5 s PHE 79 Cb -0.15 -1.82 -0.01 0.00 -0.57 0.00 0.00 43.02 40.47 3hx5 s PHE 79 CO -0.08 0.61 0.05 1.04 -0.10 0.00 0.00 175.22 176.74 3hx5 n GLN 80 N 0.64 0.92 -2.34 0.44 1.13 -1.26 -5.12 117.38 111.78 3hx5 n GLN 80 Ca -0.08 -2.53 -0.38 0.00 -1.94 0.00 0.00 57.00 52.07 3hx5 n GLN 80 Cb 0.52 1.00 -0.02 0.00 0.11 0.00 0.00 30.24 31.85 3hx5 n GLN 80 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3hx5 s ASP 81 N -2.88 6.49 -0.34 1.08 -0.00 -1.26 -5.00 116.67 114.77 3hx5 s ASP 81 Ca 0.07 2.26 -0.15 0.00 -0.00 0.00 0.00 52.55 54.74 3hx5 s ASP 81 Cb 0.00 -2.60 -0.01 0.00 -0.00 0.00 0.00 42.92 40.30 3hx5 s ASP 81 CO 0.05 -0.69 0.34 -0.63 -0.00 0.00 0.00 175.17 174.24 3hx5 s ILE 82 N -1.50 5.19 0.23 0.77 1.01 -1.26 -5.05 121.20 120.58 3hx5 s ILE 82 Ca 0.59 0.05 -0.30 0.00 0.00 0.00 0.00 60.65 60.99 3hx5 s ILE 82 Cb -0.28 -3.80 -0.09 0.00 0.01 0.00 0.00 42.46 38.30 3hx5 s ILE 82 CO 0.35 -0.06 1.28 -0.54 0.00 0.00 0.00 174.94 175.97 3hx5 s LYS 83 N 1.98 4.42 0.92 2.79 1.02 -1.26 -5.00 119.74 124.61 3hx5 s LYS 83 Ca 0.11 2.04 -0.11 0.00 0.02 0.00 0.00 55.97 58.03 3hx5 s LYS 83 Cb -0.17 -3.18 0.13 0.00 -0.52 0.00 0.00 37.83 34.09 3hx5 s LYS 83 CO 0.11 -0.18 1.03 0.36 -0.92 0.00 0.00 175.35 175.75 3hx5 n LYS 84 N 2.16 -0.40 -0.64 1.68 2.85 -1.26 -4.88 118.16 117.67 3hx5 n LYS 84 Ca 0.04 -0.05 -0.31 0.00 -1.05 0.00 0.00 58.31 56.94 3hx5 n LYS 84 Cb 0.43 -2.29 0.18 0.00 -0.65 0.00 0.00 35.03 32.70 3hx5 n LYS 84 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 3hx5 n PRO 85 N -3.77 -0.84 0.06 -1.58 -0.02 -1.26 -4.92 135.00 122.66 3hx5 n PRO 85 Ca 0.11 -0.19 -0.03 0.00 -2.02 0.00 0.00 63.50 61.38 3hx5 n PRO 85 Cb 0.52 -2.30 0.21 0.00 -0.02 0.00 0.00 33.50 31.91 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 -2.03 1.10 -2.05 3.55 0.00 -1.97 -3.46 119.26 114.40 3hx5 h ALA 86 Ca -0.47 -0.37 -0.51 0.00 0.00 0.00 0.00 54.91 53.56 3hx5 h ALA 86 Cb 1.28 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.83 3hx5 h ALA 86 CO 0.42 0.57 -0.67 -1.21 0.00 0.00 0.00 179.25 178.36 3hx5 s GLU 87 N -4.33 1.60 -0.01 0.00 0.41 -1.26 -5.03 118.70 110.08 3hx5 s GLU 87 Ca -0.06 -1.82 0.09 0.00 -0.41 0.00 0.00 54.97 52.78 3hx5 s GLU 87 Cb 0.14 -1.21 -0.14 0.00 -1.78 0.00 0.00 34.13 31.14 3hx5 s GLU 87 CO 0.78 0.03 0.24 -0.25 -0.49 0.00 0.00 175.26 175.57 3hx5 n ASP 88 N -0.62 2.45 -3.78 -0.19 8.00 -1.26 -4.91 116.55 116.23 3hx5 n ASP 88 Ca -0.05 -0.12 -0.24 0.00 0.71 0.00 0.00 54.79 55.09 3hx5 n ASP 88 Cb 0.64 1.36 -0.17 0.00 -0.02 0.00 0.00 41.12 42.92 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 -2.52 0.70 -0.07 -1.24 2.02 -1.26 -5.01 118.70 111.33 3hx5 s GLU 89 Ca -0.02 0.01 0.08 0.00 0.02 0.00 0.00 54.97 55.06 3hx5 s GLU 89 Cb 0.06 -1.16 0.34 0.00 0.10 0.00 0.00 34.13 33.47 3hx5 s GLU 89 CO 0.39 -0.34 1.12 0.91 0.02 0.00 0.00 175.26 177.36 3hx5 n TRP 90 N 5.12 0.76 -4.80 1.61 7.02 -1.26 -5.04 117.44 120.83 3hx5 n TRP 90 Ca -0.08 -0.29 0.00 0.00 -1.02 0.00 0.00 57.50 56.12 3hx5 n TRP 90 Cb 0.50 -0.18 0.00 0.00 -2.42 0.00 0.00 31.31 29.20 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 0.55 1.62 3.94 6.99 0.00 -1.26 -3.57 105.19 113.46 3hx5 n GLY 91 Ca 0.12 -0.59 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 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 3.15 0.22 1.61 1.02 -1.26 -4.88 119.74 119.60 3hx5 s LYS 92 Ca 0.00 -0.34 -0.17 0.00 0.02 0.00 0.00 55.97 55.47 3hx5 s LYS 92 Cb 0.00 -2.52 0.23 0.00 -0.52 0.00 0.00 37.83 35.02 3hx5 s LYS 92 CO 0.00 -0.26 1.56 1.15 -0.92 0.00 0.00 175.35 176.89 3hx5 h THR 93 N 0.36 0.06 -0.93 2.17 2.02 -2.00 0.13 112.91 114.72 3hx5 h THR 93 Ca -0.47 0.00 0.12 0.00 0.77 0.00 0.00 66.41 66.83 3hx5 h THR 93 Cb 1.24 0.06 -0.08 0.00 -1.74 0.00 0.00 68.15 67.63 3hx5 h THR 93 CO 0.59 0.00 0.56 -0.65 0.37 0.00 0.00 175.52 176.38 3hx5 h PRO 94 N -0.05 0.85 -0.53 6.66 0.11 -1.95 0.19 132.00 137.28 3hx5 h PRO 94 Ca 0.33 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.36 3hx5 h PRO 94 Cb 0.59 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 3hx5 h PRO 94 CO -0.90 0.56 0.24 -0.44 -0.21 0.00 0.00 178.00 177.25 3hx5 h ASP 95 N 0.87 0.71 0.12 -2.05 3.45 -1.28 -0.56 116.42 117.67 3hx5 h ASP 95 Ca 0.47 -0.15 -0.01 0.00 0.43 0.00 0.00 57.03 57.77 3hx5 h ASP 95 Cb 0.49 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 39.08 3hx5 h ASP 95 CO -0.28 0.66 -0.06 0.00 -1.57 0.00 0.00 179.24 177.99 3hx5 h ALA 96 N 1.08 -0.16 -0.87 3.45 0.00 -0.38 -2.28 119.26 120.09 3hx5 h ALA 96 Ca 0.18 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.07 3hx5 h ALA 96 Cb 0.15 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 3hx5 h ALA 96 CO -0.02 -0.53 0.57 1.98 0.00 0.00 0.00 179.25 181.25 3hx5 h MET 97 N -0.27 0.95 0.20 0.00 -1.53 -0.53 -0.99 114.93 112.76 3hx5 h MET 97 Ca -0.02 -0.06 -0.01 0.00 -3.44 0.00 0.00 59.70 56.18 3hx5 h MET 97 Cb 0.22 -0.21 0.00 0.00 -0.55 0.00 0.00 31.60 31.06 3hx5 h MET 97 CO 0.03 0.63 -0.10 0.87 0.14 0.00 0.00 176.91 178.48 3hx5 h LYS 98 N 0.98 -0.26 0.00 0.39 1.57 -0.89 -0.60 116.57 117.77 3hx5 h LYS 98 Ca 0.37 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.16 3hx5 h LYS 98 Cb 0.20 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 3hx5 h LYS 98 CO -0.14 -0.11 -0.07 0.00 -0.57 0.00 0.00 179.45 178.57 3hx5 h ALA 99 N 0.43 1.57 0.04 3.86 0.00 -0.95 0.27 119.26 124.48 3hx5 h ALA 99 Ca -0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3hx5 h ALA 99 Cb 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3hx5 h ALA 99 CO 0.05 0.09 -0.02 0.00 0.00 0.00 0.00 179.25 179.36 3hx5 h ALA 100 N 1.93 -0.05 -0.03 0.00 0.00 -0.57 -1.78 119.26 118.76 3hx5 h ALA 100 Ca -0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 3hx5 h ALA 100 Cb 0.15 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3hx5 h ALA 100 CO 0.01 -0.29 -0.24 1.98 0.00 0.00 0.00 179.25 180.70 3hx5 h MET 101 N -0.53 0.05 -0.06 0.00 -1.53 -0.68 -1.23 114.93 110.96 3hx5 h MET 101 Ca -0.01 -0.01 -0.08 0.00 -3.44 0.00 0.00 59.70 56.16 3hx5 h MET 101 Cb 0.48 -0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 31.51 3hx5 h MET 101 CO 0.01 0.29 -0.34 0.00 0.14 0.00 0.00 176.91 177.01 3hx5 h ALA 102 N 1.72 1.34 0.06 0.39 0.00 -0.80 -0.77 119.26 121.19 3hx5 h ALA 102 Ca 0.01 -0.33 -0.27 0.00 0.00 0.00 0.00 54.91 54.32 3hx5 h ALA 102 Cb 0.45 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.19 3hx5 h ALA 102 CO 0.03 0.48 -1.11 1.25 0.00 0.00 0.00 179.25 179.90 3hx5 h LEU 103 N 0.09 0.74 -0.39 0.00 5.85 -0.41 -2.59 115.31 118.61 3hx5 h LEU 103 Ca 0.01 -0.64 -0.03 0.00 0.84 0.00 0.00 57.88 58.06 3hx5 h LEU 103 Cb 0.65 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 3hx5 h LEU 103 CO 0.05 1.46 0.14 -0.33 -0.34 0.00 0.00 178.44 179.42 3hx5 h GLU 104 N 0.27 0.59 -0.58 1.25 4.39 -0.86 -0.28 114.58 119.36 3hx5 h GLU 104 Ca -0.14 -0.12 -0.05 0.00 0.34 0.00 0.00 59.36 59.40 3hx5 h GLU 104 Cb 1.77 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 30.30 3hx5 h GLU 104 CO 0.21 0.58 0.15 0.87 -1.16 0.00 0.00 179.01 179.65 3hx5 h LYS 105 N 0.48 0.89 -0.58 2.33 1.57 -1.21 0.39 116.57 120.43 3hx5 h LYS 105 Ca 0.13 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.64 3hx5 h LYS 105 Cb 0.22 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3hx5 h LYS 105 CO -0.01 0.79 0.02 -0.22 -0.57 0.00 0.00 179.45 179.46 3hx5 h LYS 106 N 0.86 1.00 -0.25 3.15 3.64 -1.12 -0.10 116.57 123.75 3hx5 h LYS 106 Ca 0.19 -0.29 -0.11 0.00 -1.27 0.00 0.00 60.65 59.16 3hx5 h LYS 106 Cb 0.29 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 3hx5 h LYS 106 CO -0.00 0.97 -0.28 -0.07 -2.27 0.00 0.00 179.45 177.80 3hx5 h LEU 107 N 0.92 0.68 -0.48 5.20 3.38 -0.49 -2.45 115.31 122.08 3hx5 h LEU 107 Ca 0.17 -0.48 0.06 0.00 0.09 0.00 0.00 57.88 57.72 3hx5 h LEU 107 Cb 0.51 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 3hx5 h LEU 107 CO 0.02 1.03 0.18 -1.13 0.09 0.00 0.00 178.44 178.63 3hx5 h ASN 108 N 0.35 0.19 -0.25 -0.43 -1.24 0.03 -0.24 115.58 114.00 3hx5 h ASN 108 Ca 0.04 0.05 0.01 0.00 0.71 0.00 0.00 56.30 57.11 3hx5 h ASN 108 Cb 0.85 0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.91 3hx5 h ASN 108 CO 0.07 0.14 0.12 -0.61 -1.29 0.00 0.00 177.43 175.86 3hx5 h GLN 109 N 0.36 0.25 -0.58 6.67 5.75 -0.99 -0.31 115.11 126.27 3hx5 h GLN 109 Ca 0.23 -0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.78 3hx5 h GLN 109 Cb 0.22 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.68 3hx5 h GLN 109 CO -0.22 0.17 0.39 0.00 -2.65 0.00 0.00 178.83 176.51 3hx5 h ALA 110 N 1.12 1.88 0.22 3.38 0.00 -0.82 0.11 119.26 125.15 3hx5 h ALA 110 Ca 0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3hx5 h ALA 110 Cb 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3hx5 h ALA 110 CO -0.07 0.02 -0.10 -0.07 0.00 0.00 0.00 179.25 179.03 3hx5 h LEU 111 N 0.52 -0.25 -1.02 0.00 3.38 -0.21 -1.93 115.31 115.80 3hx5 h LEU 111 Ca 0.26 -0.28 0.12 0.00 0.09 0.00 0.00 57.88 58.07 3hx5 h LEU 111 Cb 0.34 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.07 3hx5 h LEU 111 CO -0.07 0.22 0.63 -0.07 0.09 0.00 0.00 178.44 179.24 3hx5 h LEU 112 N -0.80 0.93 -1.16 1.67 3.38 -0.65 0.18 115.31 118.85 3hx5 h LEU 112 Ca -0.03 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 3hx5 h LEU 112 Cb 0.51 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3hx5 h LEU 112 CO 0.05 0.49 -0.11 0.44 0.09 0.00 0.00 178.44 179.40 3hx5 h ASP 113 N 0.99 0.43 0.32 -0.43 3.45 -0.76 -0.21 116.42 120.21 3hx5 h ASP 113 Ca 0.50 -0.10 -0.19 0.00 0.43 0.00 0.00 57.03 57.66 3hx5 h ASP 113 Cb 0.49 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 39.14 3hx5 h ASP 113 CO -0.26 0.58 -0.77 0.25 -1.57 0.00 0.00 179.24 177.47 3hx5 h LEU 114 N 0.42 0.45 -0.40 1.55 5.85 -0.03 -2.36 115.31 120.78 3hx5 h LEU 114 Ca 0.08 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 3hx5 h LEU 114 Cb 0.46 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 3hx5 h LEU 114 CO 0.03 1.06 0.12 -0.74 -0.34 0.00 0.00 178.44 178.56 3hx5 h HIS 115 N 0.24 0.66 -0.51 1.25 2.76 0.01 0.01 115.15 119.57 3hx5 h HIS 115 Ca -0.04 -0.07 0.02 0.00 -2.20 0.00 0.00 60.37 58.08 3hx5 h HIS 115 Cb 1.35 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 30.09 3hx5 h HIS 115 CO 0.04 0.61 0.31 0.00 -1.30 0.00 0.00 177.93 177.60 3hx5 h ALA 116 N 0.97 0.65 -0.04 5.26 0.00 -1.02 0.55 119.26 125.63 3hx5 h ALA 116 Ca 0.13 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3hx5 h ALA 116 Cb 0.27 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3hx5 h ALA 116 CO -0.00 0.03 -0.17 1.25 0.00 0.00 0.00 179.25 180.36 3hx5 h LEU 117 N 0.63 0.05 -0.19 0.00 5.85 -1.12 -0.63 115.31 119.91 3hx5 h LEU 117 Ca 0.20 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.82 3hx5 h LEU 117 Cb -0.01 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 3hx5 h LEU 117 CO -0.07 0.23 -0.25 1.23 -0.34 0.00 0.00 178.44 179.24 3hx5 h GLY 118 N 0.59 0.54 1.00 3.75 0.00 0.43 -2.65 103.07 106.74 3hx5 h GLY 118 Ca 0.01 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 46.73 3hx5 h GLY 118 CO 0.02 0.53 0.33 1.76 0.00 0.00 0.00 176.54 179.19 3hx5 h SER 119 N 0.16 0.86 -0.72 0.19 0.02 -0.26 -0.37 113.55 113.42 3hx5 h SER 119 Ca 0.02 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 60.82 3hx5 h SER 119 Cb 0.81 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.10 3hx5 h SER 119 CO 0.06 0.74 0.34 0.00 -1.14 0.00 0.00 176.83 176.83 3hx5 h ALA 120 N 1.16 1.20 -0.42 3.77 0.00 -1.14 -1.78 119.26 122.06 3hx5 h ALA 120 Ca 0.23 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hx5 h ALA 120 Cb 0.10 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3hx5 h ALA 120 CO -0.03 0.60 0.00 0.54 0.00 0.00 0.00 179.25 180.36 3hx5 n ARG 121 N -4.31 3.64 -4.10 0.00 5.12 -1.00 -4.94 116.66 111.06 3hx5 n ARG 121 Ca 0.07 -2.20 -0.45 0.00 -1.93 0.00 0.00 57.85 53.34 3hx5 n ARG 121 Cb 0.15 -1.99 0.01 0.00 -1.16 0.00 0.00 32.46 29.46 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 0.50 -2.61 -3.69 0.55 -2.24 -0.67 -4.93 114.28 101.19 3hx5 n THR 122 Ca 0.19 -0.60 -0.37 0.00 -2.27 0.00 0.00 64.05 61.00 3hx5 n THR 122 Cb 0.88 -2.20 -0.09 0.00 -2.10 0.00 0.00 70.33 66.83 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 -3.65 5.35 0.34 3.42 -1.08 -0.21 -4.94 116.67 115.89 3hx5 s ASP 123 Ca 0.43 -2.81 0.09 0.00 -0.52 0.00 0.00 52.55 49.74 3hx5 s ASP 123 Cb -0.23 -1.88 0.60 0.00 -1.46 0.00 0.00 42.92 39.95 3hx5 s ASP 123 CO 0.97 -0.39 1.78 1.55 0.52 0.00 0.00 175.17 179.60 3hx5 h PRO 124 N 7.12 0.15 0.14 4.34 0.13 -1.92 -2.83 132.00 139.13 3hx5 h PRO 124 Ca -0.01 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 65.05 3hx5 h PRO 124 Cb 0.96 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.09 3hx5 h PRO 124 CO 0.72 0.49 -0.07 1.25 -0.23 0.00 0.00 178.00 180.16 3hx5 h HIS 125 N 0.13 -0.17 -0.52 1.56 2.76 -1.97 -0.45 115.15 116.48 3hx5 h HIS 125 Ca 0.02 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.24 3hx5 h HIS 125 Cb 0.69 0.06 -0.05 0.00 1.55 0.00 0.00 27.41 29.65 3hx5 h HIS 125 CO 0.01 0.05 0.23 1.25 -1.30 0.00 0.00 177.93 178.16 3hx5 h LEU 126 N -0.37 0.28 -0.70 0.26 5.85 -1.97 0.63 115.31 119.29 3hx5 h LEU 126 Ca -0.02 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3hx5 h LEU 126 Cb 0.30 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 3hx5 h LEU 126 CO 0.03 0.19 0.32 0.00 -0.34 0.00 0.00 178.44 178.64 3hx5 h ASP 128 N 0.99 0.95 0.36 0.00 3.58 -0.72 -1.69 116.42 119.89 3hx5 h ASP 128 Ca 0.24 -0.35 -0.00 0.00 0.42 0.00 0.00 57.03 57.34 3hx5 h ASP 128 Cb 0.14 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 40.90 3hx5 h ASP 128 CO -0.03 1.12 -0.52 0.15 -2.88 0.00 0.00 179.24 177.08 3hx5 h PHE 129 N 0.81 -1.47 -0.79 0.28 3.04 -0.41 -0.56 116.94 117.84 3hx5 h PHE 129 Ca 0.11 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.08 3hx5 h PHE 129 Cb 0.76 0.59 -0.04 0.00 2.56 0.00 0.00 35.95 39.83 3hx5 h PHE 129 CO 0.05 -0.65 0.49 -0.07 -2.02 0.00 0.00 178.31 176.10 3hx5 h LEU 130 N -0.92 0.94 -0.61 0.59 3.38 -1.32 -1.55 115.31 115.81 3hx5 h LEU 130 Ca -0.04 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3hx5 h LEU 130 Cb 0.84 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 3hx5 h LEU 130 CO -0.15 0.71 0.40 -0.33 0.09 0.00 0.00 178.44 179.16 3hx5 h GLU 131 N 1.09 0.81 0.37 1.13 5.08 -0.90 -1.29 114.58 120.87 3hx5 h GLU 131 Ca 0.29 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 3hx5 h GLU 131 Cb -0.06 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.01 3hx5 h GLU 131 CO -0.06 0.54 -0.18 1.15 -1.00 0.00 0.00 179.01 179.47 3hx5 h THR 132 N 0.83 0.30 0.00 1.13 2.02 -0.74 -3.37 112.91 113.08 3hx5 h THR 132 Ca 0.22 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.71 3hx5 h THR 132 Cb -0.09 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 3hx5 h THR 132 CO -0.05 0.07 -1.12 1.41 0.37 0.00 0.00 175.52 176.20 3hx5 n HIS 133 N -5.12 0.37 0.03 3.16 8.25 -0.62 -4.82 115.22 116.48 3hx5 n HIS 133 Ca -0.08 0.11 -0.01 0.00 -0.26 0.00 0.00 57.72 57.48 3hx5 n HIS 133 Cb 0.25 -0.54 -0.00 0.00 1.12 0.00 0.00 29.99 30.82 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 -2.13 0.00 -0.17 4.41 3.72 -0.63 -4.67 117.46 118.00 3hx5 n PHE 134 Ca 0.01 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.38 3hx5 n PHE 134 Cb 0.47 -0.03 0.03 0.00 -0.94 0.00 0.00 39.48 39.01 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 -0.05 -0.70 -0.81 4.37 3.38 -1.47 -0.22 115.31 119.82 3hx5 h LEU 135 Ca -0.01 0.18 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 3hx5 h LEU 135 Cb 0.26 0.40 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3hx5 h LEU 135 CO -0.00 -0.23 -0.28 -0.78 0.09 0.00 0.00 178.44 177.23 3hx5 h ASP 136 N -0.08 0.59 -0.75 -0.43 -0.00 -1.83 -2.14 116.42 111.78 3hx5 h ASP 136 Ca 0.24 -0.22 -0.02 0.00 -0.00 0.00 0.00 57.03 57.03 3hx5 h ASP 136 Cb 0.46 -0.16 -0.03 0.00 -0.00 0.00 0.00 39.33 39.59 3hx5 h ASP 136 CO -0.57 0.85 0.37 -0.33 -0.00 0.00 0.00 179.24 179.56 3hx5 h GLU 137 N 0.50 1.08 0.22 0.28 4.39 -1.54 -1.50 114.58 118.00 3hx5 h GLU 137 Ca 0.06 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 3hx5 h GLU 137 Cb 0.75 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 3hx5 h GLU 137 CO 0.06 0.83 -0.11 0.93 -1.16 0.00 0.00 179.01 179.56 3hx5 h GLU 138 N 1.05 -0.29 -0.64 2.33 4.39 -0.82 -1.08 114.58 119.52 3hx5 h GLU 138 Ca 0.26 0.02 0.13 0.00 0.34 0.00 0.00 59.36 60.11 3hx5 h GLU 138 Cb 0.10 0.07 -0.10 0.00 -0.10 0.00 0.00 28.75 28.71 3hx5 h GLU 138 CO -0.03 -0.00 0.07 0.28 -1.16 0.00 0.00 179.01 178.16 3hx5 h VAL 139 N -0.57 0.52 -0.44 3.13 2.07 -1.26 0.33 116.25 120.04 3hx5 h VAL 139 Ca -0.03 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 3hx5 h VAL 139 Cb 0.42 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 3hx5 h VAL 139 CO 0.05 0.03 0.18 0.11 0.02 0.00 0.00 177.57 177.96 3hx5 h LYS 140 N 0.18 0.65 -0.55 1.57 1.57 -1.17 -0.47 116.57 118.34 3hx5 h LYS 140 Ca 0.34 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.96 3hx5 h LYS 140 Cb 0.56 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 3hx5 h LYS 140 CO -0.50 0.60 0.18 1.25 -0.57 0.00 0.00 179.45 180.41 3hx5 h LEU 141 N 0.56 0.80 -0.99 2.94 5.85 0.08 -0.95 115.31 123.60 3hx5 h LEU 141 Ca 0.15 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 3hx5 h LEU 141 Cb 0.19 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3hx5 h LEU 141 CO -0.01 0.79 0.14 0.40 -0.34 0.00 0.00 178.44 179.42 3hx5 h ILE 142 N 0.77 1.23 -0.67 4.05 2.04 -0.16 0.24 117.51 125.01 3hx5 h ILE 142 Ca 0.18 -0.83 -0.08 0.00 1.00 0.00 0.00 64.86 65.13 3hx5 h ILE 142 Cb 0.27 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 3hx5 h ILE 142 CO -0.01 0.31 0.12 0.50 0.00 0.00 0.00 178.15 179.07 3hx5 h LYS 143 N 0.84 1.11 0.44 2.37 1.63 -0.73 -0.46 116.57 121.77 3hx5 h LYS 143 Ca 0.18 -0.29 -0.02 0.00 -0.85 0.00 0.00 60.65 59.67 3hx5 h LYS 143 Cb 0.30 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.80 3hx5 h LYS 143 CO -0.00 1.01 -0.21 -0.22 -3.45 0.00 0.00 179.45 176.58 3hx5 h LYS 144 N 1.03 -0.57 -0.94 1.90 3.64 -0.24 -1.06 116.57 120.34 3hx5 h LYS 144 Ca 0.21 0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.72 3hx5 h LYS 144 Cb 0.43 0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 32.31 3hx5 h LYS 144 CO 0.01 -0.31 0.60 0.52 -2.27 0.00 0.00 179.45 178.00 3hx5 h MET 145 N -0.73 0.94 -0.62 1.90 2.86 -0.85 0.20 114.93 118.63 3hx5 h MET 145 Ca -0.06 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.47 3hx5 h MET 145 Cb 0.52 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 3hx5 h MET 145 CO 0.10 0.62 0.18 0.78 1.06 0.00 0.00 176.91 179.66 3hx5 h GLY 146 N 0.97 1.05 1.17 8.32 0.00 -0.83 -0.81 103.07 112.94 3hx5 h GLY 146 Ca 0.43 -0.63 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 3hx5 h GLY 146 CO -0.19 0.59 0.30 -0.55 0.00 0.00 0.00 176.54 176.68 3hx5 h ASP 147 N 0.90 0.97 0.20 0.19 5.19 0.27 -2.60 116.42 121.54 3hx5 h ASP 147 Ca 0.20 -0.14 -0.01 0.00 -0.62 0.00 0.00 57.03 56.46 3hx5 h ASP 147 Cb 0.31 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.57 3hx5 h ASP 147 CO -0.00 0.86 -0.10 0.45 -3.12 0.00 0.00 179.24 177.33 3hx5 h HIS 148 N 1.04 -0.25 -0.88 4.55 3.86 -0.32 -2.37 115.15 120.78 3hx5 h HIS 148 Ca 0.24 -0.01 0.15 0.00 -1.16 0.00 0.00 60.37 59.60 3hx5 h HIS 148 Cb 0.19 0.08 -0.07 0.00 1.06 0.00 0.00 27.41 28.67 3hx5 h HIS 148 CO 0.02 -0.12 0.57 -0.07 0.86 0.00 0.00 177.93 179.19 3hx5 h LEU 149 N -0.31 0.60 -0.49 2.43 3.38 -0.95 0.59 115.31 120.56 3hx5 h LEU 149 Ca -0.03 0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.82 3hx5 h LEU 149 Cb 0.24 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3hx5 h LEU 149 CO 0.05 0.29 -0.54 0.74 0.09 0.00 0.00 178.44 179.06 3hx5 h THR 150 N 0.63 1.31 -0.12 0.22 2.02 -1.19 -2.02 112.91 113.76 3hx5 h THR 150 Ca 0.45 -1.78 -0.19 0.00 0.77 0.00 0.00 66.41 65.66 3hx5 h THR 150 Cb 0.80 1.74 -0.00 0.00 -1.74 0.00 0.00 68.15 68.95 3hx5 h THR 150 CO -0.20 0.56 -0.70 0.78 0.37 0.00 0.00 175.52 176.33 3hx5 h ASN 151 N 0.47 0.60 0.03 4.18 2.35 -0.64 -2.53 115.58 120.03 3hx5 h ASN 151 Ca 0.01 -0.38 -0.00 0.00 -0.55 0.00 0.00 56.30 55.38 3hx5 h ASN 151 Cb 1.09 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.29 3hx5 h ASN 151 CO 0.11 1.12 -0.02 -0.07 -1.65 0.00 0.00 177.43 176.92 3hx5 h LEU 152 N 0.36 -0.04 -2.61 1.61 3.38 -0.88 -2.19 115.31 114.94 3hx5 h LEU 152 Ca -0.03 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 3hx5 h LEU 152 Cb 1.27 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 3hx5 h LEU 152 CO 0.13 0.17 -0.00 -0.74 0.09 0.00 0.00 178.44 178.08 3hx5 h HIS 153 N -0.24 0.00 0.00 1.13 2.76 -1.39 -0.37 115.15 117.03 3hx5 h HIS 153 Ca -0.00 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.07 3hx5 h HIS 153 Cb 0.22 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 3hx5 h HIS 153 CO -0.01 0.00 -0.43 -0.09 -1.30 0.00 0.00 177.93 176.10 3hx5 h ARG 154 N 0.00 0.00 -1.00 5.26 2.43 -0.95 -3.23 114.38 116.89 3hx5 h ARG 154 Ca -0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3hx5 h ARG 154 Cb 0.01 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 3hx5 h ARG 154 CO 0.00 0.43 0.06 1.28 -1.51 0.00 0.00 179.97 180.23 3hx5 n LEU 155 N -3.38 3.29 -2.50 3.80 4.77 -0.15 -3.74 117.00 119.08 3hx5 n LEU 155 Ca 0.01 -1.66 -0.12 0.00 -0.03 0.00 0.00 56.01 54.20 3hx5 n LEU 155 Cb 0.61 -0.53 0.03 0.00 -2.33 0.00 0.00 43.42 41.20 3hx5 n LEU 155 CO 0.38 0.54 0.06 0.61 -1.33 0.00 0.00 177.39 177.65 3hx5 n GLY 156 N 0.35 3.74 0.00 -0.72 0.00 -1.22 -4.98 105.19 102.35 3hx5 n GLY 156 Ca 0.05 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.26 3hx5 n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hx5 n GLY 157 N -0.55 -0.67 0.38 -0.02 0.00 -1.25 -5.02 105.19 98.06 3hx5 n GLY 157 Ca 0.23 -0.47 -0.02 0.00 0.00 0.00 0.00 46.02 45.77 3hx5 n GLY 157 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hx5 h PRO 158 N 0.00 1.31 -0.95 1.61 0.13 -1.99 -2.98 132.00 129.14 3hx5 h PRO 158 Ca 0.00 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 3hx5 h PRO 158 Cb 0.00 -0.30 0.00 0.00 0.13 0.00 0.00 31.00 30.83 3hx5 h PRO 158 CO 0.00 0.87 0.00 0.39 -0.23 0.00 0.00 178.00 179.03 3hx5 n GLU 159 N -4.39 0.86 0.00 0.86 4.71 -1.26 -5.14 120.64 116.28 3hx5 n GLU 159 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.27 3hx5 n GLU 159 Cb 0.02 -1.32 0.00 0.00 -1.01 0.00 0.00 31.44 29.13 3hx5 n GLU 159 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22