#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx5 s SER 3 N 0.00 -0.52 0.00 4.04 0.15 -1.26 -5.01 113.70 111.11 3hx5 s SER 3 Ca 0.00 0.87 0.09 0.00 0.70 0.00 0.00 55.95 57.61 3hx5 s SER 3 Cb 0.00 0.89 0.41 0.00 -1.71 0.00 0.00 66.02 65.61 3hx5 s SER 3 CO 0.00 -0.29 1.24 0.00 1.20 0.00 0.00 173.24 175.39 3hx5 n GLN 4 N 2.29 0.05 -0.04 5.44 10.64 -1.26 -2.42 117.38 132.09 3hx5 n GLN 4 Ca -0.15 0.29 -0.01 0.00 -1.83 0.00 0.00 57.00 55.29 3hx5 n GLN 4 Cb 0.56 -1.50 -0.11 0.00 -0.86 0.00 0.00 30.24 28.34 3hx5 n GLN 4 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.06 174.34 3hx5 n ILE 5 N -1.42 0.56 -1.64 -0.39 5.41 -1.26 -5.01 119.36 115.61 3hx5 n ILE 5 Ca 0.03 -0.47 -0.48 0.00 1.00 0.00 0.00 62.75 62.83 3hx5 n ILE 5 Cb 0.09 -0.33 -0.05 0.00 -0.71 0.00 0.00 39.64 38.64 3hx5 n ILE 5 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 3hx5 n ARG 6 N -2.30 1.76 -3.48 0.38 0.63 -1.01 -4.83 116.66 107.81 3hx5 n ARG 6 Ca -0.14 0.64 0.01 0.00 -0.92 0.00 0.00 57.85 57.43 3hx5 n ARG 6 Cb 0.71 -2.35 -0.03 0.00 0.45 0.00 0.00 32.46 31.25 3hx5 n ARG 6 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 3hx5 s GLN 7 N 0.66 0.56 -0.84 -0.14 0.74 -1.26 -4.91 119.66 114.47 3hx5 s GLN 7 Ca 0.80 1.27 0.00 0.00 0.05 0.00 0.00 55.36 57.48 3hx5 s GLN 7 Cb -0.78 0.75 0.00 0.00 1.10 0.00 0.00 33.01 34.08 3hx5 s GLN 7 CO 0.42 -0.32 0.00 -1.71 -0.55 0.00 0.00 175.29 173.13 3hx5 n ASN 8 N 5.42 -4.99 -4.24 6.67 5.15 -1.26 -4.94 115.26 117.07 3hx5 n ASN 8 Ca -0.09 0.20 -0.42 0.00 -0.60 0.00 0.00 54.58 53.67 3hx5 n ASN 8 Cb 0.50 -3.19 -0.07 0.00 -0.53 0.00 0.00 39.78 36.49 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 -1.95 3.47 0.67 1.20 5.04 -1.26 -4.80 117.35 119.73 3hx5 s TYR 9 Ca 0.00 -1.93 -0.17 0.00 -2.44 0.00 0.00 57.07 52.53 3hx5 s TYR 9 Cb 0.00 -3.58 0.01 0.00 0.35 0.00 0.00 41.96 38.74 3hx5 s TYR 9 CO 0.00 -0.97 1.24 -1.54 -1.34 0.00 0.00 175.55 172.94 3hx5 s SER 10 N 2.41 4.51 0.42 4.32 1.04 -1.26 -4.92 113.70 120.21 3hx5 s SER 10 Ca 0.10 2.48 0.17 0.00 0.48 0.00 0.00 55.95 59.17 3hx5 s SER 10 Cb -0.22 -2.60 0.92 0.00 0.10 0.00 0.00 66.02 64.22 3hx5 s SER 10 CO -0.02 -2.06 1.90 0.71 0.98 0.00 0.00 173.24 174.74 3hx5 h THR 11 N 0.24 1.04 -0.14 2.02 1.35 -1.99 -2.70 112.91 112.73 3hx5 h THR 11 Ca -0.49 -1.03 -0.03 0.00 -0.55 0.00 0.00 66.41 64.31 3hx5 h THR 11 Cb 1.31 1.58 -0.00 0.00 -1.73 0.00 0.00 68.15 69.31 3hx5 h THR 11 CO 0.52 0.28 -0.02 0.44 -0.25 0.00 0.00 175.52 176.49 3hx5 h ASP 12 N 0.00 0.26 -0.72 5.36 3.45 -1.99 -2.03 116.42 120.75 3hx5 h ASP 12 Ca -0.00 -0.35 0.02 0.00 0.43 0.00 0.00 57.03 57.13 3hx5 h ASP 12 Cb 0.56 -0.07 -0.04 0.00 -0.56 0.00 0.00 39.33 39.22 3hx5 h ASP 12 CO 0.04 0.54 0.47 0.58 -1.57 0.00 0.00 179.24 179.30 3hx5 h VAL 13 N -0.03 1.15 0.03 -1.35 2.07 -1.89 -1.24 116.25 114.99 3hx5 h VAL 13 Ca 0.04 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 67.26 3hx5 h VAL 13 Cb 0.42 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 3hx5 h VAL 13 CO 0.01 0.17 -0.19 -0.08 0.02 0.00 0.00 177.57 177.50 3hx5 h GLU 14 N 0.94 -0.31 0.00 1.57 4.81 -1.37 0.17 114.58 120.38 3hx5 h GLU 14 Ca 0.27 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.49 3hx5 h GLU 14 Cb -0.06 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 3hx5 h GLU 14 CO -0.08 -0.21 -0.17 0.00 -0.73 0.00 0.00 179.01 177.82 3hx5 h ALA 15 N 0.55 1.34 -0.05 2.92 0.00 -1.13 -2.42 119.26 120.47 3hx5 h ALA 15 Ca 0.05 -0.15 -0.24 0.00 0.00 0.00 0.00 54.91 54.57 3hx5 h ALA 15 Cb 0.38 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.16 3hx5 h ALA 15 CO -0.16 0.21 -0.90 0.00 0.00 0.00 0.00 179.25 178.40 3hx5 h ALA 16 N 1.83 0.17 -0.55 0.00 0.00 -0.28 -2.71 119.26 117.73 3hx5 h ALA 16 Ca -0.00 -0.65 -0.04 0.00 0.00 0.00 0.00 54.91 54.22 3hx5 h ALA 16 Cb 0.40 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3hx5 h ALA 16 CO 0.02 0.63 0.16 0.28 0.00 0.00 0.00 179.25 180.34 3hx5 h VAL 17 N 0.37 1.22 0.00 0.00 2.07 -0.25 0.12 116.25 119.77 3hx5 h VAL 17 Ca -0.10 -0.76 -0.09 0.00 0.82 0.00 0.00 66.70 66.57 3hx5 h VAL 17 Cb 1.55 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 3hx5 h VAL 17 CO 0.18 0.29 -0.43 0.78 0.02 0.00 0.00 177.57 178.41 3hx5 h ASN 18 N 0.80 0.00 -0.05 0.57 2.35 -1.47 -1.30 115.58 116.48 3hx5 h ASN 18 Ca 0.18 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.87 3hx5 h ASN 18 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 3hx5 h ASN 18 CO -0.01 0.43 -0.19 -1.28 -1.65 0.00 0.00 177.43 174.73 3hx5 h SER 19 N 0.00 0.25 0.23 5.81 0.87 -0.90 -2.59 113.55 117.21 3hx5 h SER 19 Ca -0.00 -0.64 -0.04 0.00 -1.23 0.00 0.00 61.79 59.88 3hx5 h SER 19 Cb 0.88 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.76 3hx5 h SER 19 CO 0.06 0.85 -0.17 0.25 -0.53 0.00 0.00 176.83 177.28 3hx5 h LEU 20 N -0.32 0.00 -0.30 2.23 5.85 -0.70 -0.11 115.31 121.96 3hx5 h LEU 20 Ca -0.01 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.53 3hx5 h LEU 20 Cb 0.83 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.86 3hx5 h LEU 20 CO 0.04 0.17 -0.53 0.58 -0.34 0.00 0.00 178.44 178.36 3hx5 h VAL 21 N 0.00 1.27 -0.29 1.05 2.07 -1.20 -0.80 116.25 118.35 3hx5 h VAL 21 Ca -0.00 -1.71 -0.11 0.00 0.82 0.00 0.00 66.70 65.70 3hx5 h VAL 21 Cb 0.33 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 3hx5 h VAL 21 CO 0.02 0.56 -0.30 -1.13 0.02 0.00 0.00 177.57 176.75 3hx5 h ASN 22 N 0.69 0.62 -0.73 0.57 -0.73 -0.93 -1.34 115.58 113.73 3hx5 h ASN 22 Ca 0.02 -0.24 -0.03 0.00 1.87 0.00 0.00 56.30 57.92 3hx5 h ASN 22 Cb 1.14 -0.17 -0.03 0.00 0.27 0.00 0.00 38.32 39.52 3hx5 h ASN 22 CO 0.12 0.89 0.34 0.25 -0.37 0.00 0.00 177.43 178.65 3hx5 h LEU 23 N 0.52 0.96 -0.64 0.34 5.85 -0.81 -0.46 115.31 121.08 3hx5 h LEU 23 Ca 0.06 -0.14 -0.15 0.00 0.84 0.00 0.00 57.88 58.50 3hx5 h LEU 23 Cb 0.77 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 3hx5 h LEU 23 CO 0.06 0.83 -0.58 1.88 -0.34 0.00 0.00 178.44 180.30 3hx5 h TYR 24 N 1.02 0.40 0.00 1.25 -1.99 -0.88 -1.69 116.97 115.08 3hx5 h TYR 24 Ca 0.25 -0.15 -0.06 0.00 2.00 0.00 0.00 58.73 60.77 3hx5 h TYR 24 Cb 0.14 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 38.78 3hx5 h TYR 24 CO 0.01 0.82 -0.29 -0.07 -0.00 0.00 0.00 178.16 178.62 3hx5 h LEU 25 N 0.24 0.00 -0.19 3.88 3.38 -0.81 -1.24 115.31 120.56 3hx5 h LEU 25 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3hx5 h LEU 25 Cb 1.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 3hx5 h LEU 25 CO 0.09 0.29 -0.18 -0.61 0.09 0.00 0.00 178.44 178.13 3hx5 h GLN 26 N 0.00 0.45 -0.27 1.13 5.75 -0.55 -2.47 115.11 119.15 3hx5 h GLN 26 Ca -0.00 -0.24 -0.12 0.00 -0.15 0.00 0.00 58.65 58.14 3hx5 h GLN 26 Cb 0.58 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.12 3hx5 h GLN 26 CO 0.04 0.80 -0.34 0.00 -2.65 0.00 0.00 178.83 176.68 3hx5 h ALA 27 N 0.64 0.91 -0.61 3.38 0.00 -0.98 -1.94 119.26 120.66 3hx5 h ALA 27 Ca 0.03 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 3hx5 h ALA 27 Cb 0.72 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3hx5 h ALA 27 CO 0.04 0.62 0.01 1.03 0.00 0.00 0.00 179.25 180.96 3hx5 h SER 28 N 0.49 1.04 0.49 0.00 0.87 -1.25 -0.59 113.55 114.61 3hx5 h SER 28 Ca 0.05 -0.29 -0.11 0.00 -1.23 0.00 0.00 61.79 60.22 3hx5 h SER 28 Cb 0.83 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 3hx5 h SER 28 CO 0.07 1.08 -0.50 0.22 -0.53 0.00 0.00 176.83 177.17 3hx5 h TYR 29 N 0.97 0.01 0.41 2.24 3.20 -1.30 -1.57 116.97 120.92 3hx5 h TYR 29 Ca 0.17 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 3hx5 h TYR 29 Cb 0.55 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.82 3hx5 h TYR 29 CO 0.04 0.50 -0.20 1.15 -1.64 0.00 0.00 178.16 178.01 3hx5 h THR 30 N 0.00 0.49 -0.13 1.81 2.02 -0.79 -2.98 112.91 113.32 3hx5 h THR 30 Ca -0.00 -0.53 0.04 0.00 0.77 0.00 0.00 66.41 66.68 3hx5 h THR 30 Cb 0.88 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 3hx5 h THR 30 CO 0.07 0.08 0.11 1.88 0.37 0.00 0.00 175.52 178.02 3hx5 h TYR 31 N -0.90 0.00 -0.15 3.16 0.05 -1.04 -1.17 116.97 116.92 3hx5 h TYR 31 Ca -0.06 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.71 3hx5 h TYR 31 Cb 0.56 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.29 3hx5 h TYR 31 CO 0.02 0.00 0.05 1.25 -1.05 0.00 0.00 178.16 178.43 3hx5 h LEU 32 N 0.00 0.21 -0.76 3.88 5.85 -1.22 -0.29 115.31 122.98 3hx5 h LEU 32 Ca 0.06 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 3hx5 h LEU 32 Cb 0.27 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 3hx5 h LEU 32 CO -0.00 0.34 0.30 -1.28 -0.34 0.00 0.00 178.44 177.47 3hx5 h SER 33 N 0.07 1.05 0.24 1.25 0.87 -1.10 -2.00 113.55 113.93 3hx5 h SER 33 Ca 0.05 -0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.42 3hx5 h SER 33 Cb 0.21 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 3hx5 h SER 33 CO -0.00 0.94 -0.12 -0.07 -0.53 0.00 0.00 176.83 177.05 3hx5 h LEU 34 N 1.10 -0.27 -0.51 2.23 3.38 -1.13 -2.21 115.31 117.89 3hx5 h LEU 34 Ca 0.25 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.29 3hx5 h LEU 34 Cb 0.22 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 3hx5 h LEU 34 CO -0.02 -0.17 0.16 1.23 0.09 0.00 0.00 178.44 179.73 3hx5 h GLY 35 N -0.35 0.67 0.77 0.83 0.00 -0.82 -1.38 103.07 102.79 3hx5 h GLY 35 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.22 3hx5 h GLY 35 CO 0.05 -0.02 0.00 0.69 0.00 0.00 0.00 176.54 177.26 3hx5 n PHE 36 N -5.04 0.00 -0.01 5.60 3.01 -0.77 -2.92 117.46 117.33 3hx5 n PHE 36 Ca 0.06 -0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.30 3hx5 n PHE 36 Cb 0.23 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.56 3hx5 n PHE 36 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 3hx5 h TYR 37 N 0.03 0.37 0.00 1.38 3.20 -0.61 -3.33 116.97 118.01 3hx5 h TYR 37 Ca 0.00 -0.27 0.00 0.00 3.14 0.00 0.00 58.73 61.60 3hx5 h TYR 37 Cb 0.01 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.26 3hx5 h TYR 37 CO 0.00 1.56 0.00 1.19 -1.64 0.00 0.00 178.16 179.27 3hx5 n PHE 38 N -3.97 0.00 0.89 -3.82 3.72 -1.09 -2.30 117.46 110.91 3hx5 n PHE 38 Ca -0.26 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.23 3hx5 n PHE 38 Cb 0.87 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.34 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 -0.95 1.21 -4.75 4.37 4.64 -1.21 -1.22 116.55 118.65 3hx5 n ASP 39 Ca 0.16 -1.10 -0.36 0.00 -1.38 0.00 0.00 54.79 52.11 3hx5 n ASP 39 Cb 0.07 0.83 0.04 0.00 -1.04 0.00 0.00 41.12 41.03 3hx5 n ASP 39 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 3hx5 s ARG 40 N -2.62 2.90 0.39 -0.67 0.52 -0.97 -4.72 118.95 113.78 3hx5 s ARG 40 Ca 0.10 1.82 0.07 0.00 -0.52 0.00 0.00 55.73 57.20 3hx5 s ARG 40 Cb 0.15 -1.92 0.79 0.00 0.52 0.00 0.00 34.95 34.49 3hx5 s ARG 40 CO 0.69 -1.26 1.99 0.38 0.02 0.00 0.00 175.30 177.13 3hx5 h ASP 41 N 0.78 0.43 -0.10 0.23 2.03 -1.93 0.15 116.42 118.01 3hx5 h ASP 41 Ca -0.50 -0.04 0.00 0.00 -0.73 0.00 0.00 57.03 55.76 3hx5 h ASP 41 Cb 1.30 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 3hx5 h ASP 41 CO 0.55 0.40 0.00 -0.90 -1.03 0.00 0.00 179.24 178.25 3hx5 n ASP 42 N -4.40 0.65 0.00 4.15 3.85 -1.26 -3.91 116.55 115.63 3hx5 n ASP 42 Ca 0.02 -1.76 0.00 0.00 -0.71 0.00 0.00 54.79 52.34 3hx5 n ASP 42 Cb 0.13 -0.06 0.00 0.00 -1.35 0.00 0.00 41.12 39.84 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 -0.25 0.00 -3.09 2.12 0.31 -0.80 -5.09 118.33 111.53 3hx5 n VAL 43 Ca 0.10 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.20 3hx5 n VAL 43 Cb 0.14 -1.31 0.01 0.00 -0.91 0.00 0.00 33.84 31.77 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 -2.90 -2.08 -3.13 3.52 0.00 0.45 -4.94 120.51 111.43 3hx5 n ALA 44 Ca 0.00 0.02 -0.19 0.00 0.00 0.00 0.00 53.44 53.27 3hx5 n ALA 44 Cb 0.45 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.84 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 -1.05 1.53 -0.20 0.00 4.77 -0.35 -4.98 117.00 116.71 3hx5 n LEU 45 Ca -0.15 -5.10 0.10 0.00 -0.03 0.00 0.00 56.01 50.84 3hx5 n LEU 45 Cb 0.49 0.47 0.20 0.00 -2.33 0.00 0.00 43.42 42.25 3hx5 n LEU 45 CO 0.42 2.28 0.49 1.21 -1.33 0.00 0.00 177.39 180.46 3hx5 n GLU 46 N 0.17 -0.04 -0.01 3.23 2.13 -1.26 -0.32 120.64 124.54 3hx5 n GLU 46 Ca 0.26 0.86 -0.09 0.00 0.66 0.00 0.00 57.16 58.85 3hx5 n GLU 46 Cb 0.62 -1.40 -0.03 0.00 0.27 0.00 0.00 31.44 30.89 3hx5 n GLU 46 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 3hx5 h GLY 47 N 0.00 0.02 0.83 8.31 0.00 -1.93 0.89 103.07 111.18 3hx5 h GLY 47 Ca 0.38 0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.80 3hx5 h GLY 47 CO -0.53 -0.10 0.03 -2.08 0.00 0.00 0.00 176.54 173.86 3hx5 h VAL 48 N -0.09 1.20 -0.22 4.60 2.07 -1.05 -1.73 116.25 121.02 3hx5 h VAL 48 Ca 0.08 -0.64 0.05 0.00 0.82 0.00 0.00 66.70 67.02 3hx5 h VAL 48 Cb 0.21 1.36 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 3hx5 h VAL 48 CO -0.19 0.19 -0.15 -1.28 0.02 0.00 0.00 177.57 176.16 3hx5 h SER 49 N 0.03 -0.48 -0.38 0.57 0.87 -1.18 -0.53 113.55 112.45 3hx5 h SER 49 Ca 0.04 0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 3hx5 h SER 49 Cb 0.26 0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 3hx5 h SER 49 CO 0.00 -0.19 0.19 -0.74 -0.53 0.00 0.00 176.83 175.57 3hx5 h HIS 50 N -0.14 0.57 0.28 2.24 6.17 -0.77 -1.49 115.15 122.01 3hx5 h HIS 50 Ca 0.13 -0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.18 3hx5 h HIS 50 Cb 0.33 -0.18 -0.00 0.00 2.52 0.00 0.00 27.41 30.07 3hx5 h HIS 50 CO -0.31 0.43 -0.17 0.35 0.71 0.00 0.00 177.93 178.95 3hx5 h PHE 51 N 0.58 -0.43 -0.65 5.26 3.57 -0.19 -2.49 116.94 122.59 3hx5 h PHE 51 Ca 0.15 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.57 3hx5 h PHE 51 Cb 0.08 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 3hx5 h PHE 51 CO 0.00 -0.26 0.12 0.74 -2.23 0.00 0.00 178.31 176.68 3hx5 h PHE 52 N -0.43 1.14 -0.08 0.41 0.05 -1.01 -2.69 116.94 114.35 3hx5 h PHE 52 Ca -0.03 -0.16 -0.01 0.00 3.82 0.00 0.00 57.97 61.60 3hx5 h PHE 52 Cb 0.35 -0.32 -0.00 0.00 2.00 0.00 0.00 35.95 37.98 3hx5 h PHE 52 CO -0.08 0.96 0.01 0.00 -0.18 0.00 0.00 178.31 179.01 3hx5 h ARG 53 N 1.00 0.10 -0.03 1.51 3.08 -1.21 0.69 114.38 119.52 3hx5 h ARG 53 Ca 0.20 -0.01 -0.15 0.00 0.07 0.00 0.00 59.98 60.09 3hx5 h ARG 53 Cb 0.43 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 3hx5 h ARG 53 CO 0.01 0.11 -0.67 0.93 -1.07 0.00 0.00 179.97 179.28 3hx5 h GLU 54 N 0.11 0.12 -0.17 0.04 5.08 -1.12 -2.33 114.58 116.30 3hx5 h GLU 54 Ca 0.03 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 3hx5 h GLU 54 Cb 0.06 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 3hx5 h GLU 54 CO -0.00 0.74 -0.19 -0.07 -1.00 0.00 0.00 179.01 178.49 3hx5 h LEU 55 N 0.08 0.46 -1.49 1.33 3.38 -0.73 -0.18 115.31 118.17 3hx5 h LEU 55 Ca -0.01 -0.49 0.12 0.00 0.09 0.00 0.00 57.88 57.59 3hx5 h LEU 55 Cb 1.19 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.76 3hx5 h LEU 55 CO 0.10 0.86 0.49 0.00 0.09 0.00 0.00 178.44 179.98 3hx5 h ALA 56 N 0.61 1.96 0.01 1.53 0.00 -0.86 0.25 119.26 122.76 3hx5 h ALA 56 Ca 0.02 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 3hx5 h ALA 56 Cb 0.74 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3hx5 h ALA 56 CO 0.05 -0.14 -0.90 1.49 0.00 0.00 0.00 179.25 179.75 3hx5 h GLU 57 N 0.53 0.21 -0.05 0.00 4.57 -1.17 -2.25 114.58 116.43 3hx5 h GLU 57 Ca 0.36 -0.24 -0.14 0.00 -1.18 0.00 0.00 59.36 58.16 3hx5 h GLU 57 Cb 0.65 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.30 3hx5 h GLU 57 CO -0.13 0.98 -0.58 0.93 -1.18 0.00 0.00 179.01 179.03 3hx5 h GLU 58 N 0.11 0.16 -0.26 1.92 5.08 0.12 -2.50 114.58 119.21 3hx5 h GLU 58 Ca -0.05 -0.11 -0.15 0.00 -1.00 0.00 0.00 59.36 58.05 3hx5 h GLU 58 Cb 1.54 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.80 3hx5 h GLU 58 CO 0.14 0.70 -0.43 0.87 -1.00 0.00 0.00 179.01 179.29 3hx5 h LYS 59 N 0.12 0.75 -0.84 2.33 1.79 -0.58 -1.86 116.57 118.28 3hx5 h LYS 59 Ca -0.00 -0.46 0.06 0.00 -2.18 0.00 0.00 60.65 58.07 3hx5 h LYS 59 Cb 1.06 0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 31.70 3hx5 h LYS 59 CO 0.09 1.08 0.51 -0.09 -1.08 0.00 0.00 179.45 179.96 3hx5 h ARG 60 N 0.49 0.90 0.00 3.15 2.43 -1.30 0.18 114.38 120.23 3hx5 h ARG 60 Ca 0.02 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 3hx5 h ARG 60 Cb 1.03 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 3hx5 h ARG 60 CO 0.10 0.60 -0.28 0.93 -1.51 0.00 0.00 179.97 179.81 3hx5 h GLU 61 N 0.93 0.00 0.34 0.20 5.08 -1.32 -1.90 114.58 117.91 3hx5 h GLU 61 Ca 0.37 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.71 3hx5 h GLU 61 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3hx5 h GLU 61 CO -0.18 0.28 -0.17 0.78 -1.00 0.00 0.00 179.01 178.72 3hx5 h GLY 62 N 1.76 -0.48 1.90 -3.84 0.00 0.15 -2.36 103.07 100.19 3hx5 h GLY 62 Ca -0.00 0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.45 3hx5 h GLY 62 CO 0.04 -0.18 -0.23 0.10 0.00 0.00 0.00 176.54 176.28 3hx5 h TYR 63 N -0.92 0.14 -0.48 5.60 -0.00 -1.14 -2.32 116.97 117.84 3hx5 h TYR 63 Ca -0.05 -0.02 -0.12 0.00 0.00 0.00 0.00 58.73 58.54 3hx5 h TYR 63 Cb 0.53 -0.04 -0.02 0.00 0.00 0.00 0.00 36.73 37.20 3hx5 h TYR 63 CO 0.03 0.35 -0.17 0.93 -0.00 0.00 0.00 178.16 179.30 3hx5 h GLU 64 N 0.12 0.95 0.00 0.10 5.08 -1.40 -0.96 114.58 118.46 3hx5 h GLU 64 Ca 0.02 -0.37 -0.05 0.00 -1.00 0.00 0.00 59.36 57.95 3hx5 h GLU 64 Cb 0.47 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3hx5 h GLU 64 CO 0.03 1.04 -0.25 -0.09 -1.00 0.00 0.00 179.01 178.74 3hx5 h ARG 65 N 0.83 0.00 0.14 2.33 2.43 -0.94 -1.88 114.38 117.29 3hx5 h ARG 65 Ca 0.12 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 3hx5 h ARG 65 Cb 0.73 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 3hx5 h ARG 65 CO 0.06 0.25 -0.07 -0.07 -1.51 0.00 0.00 179.97 178.62 3hx5 h LEU 66 N 0.00 -0.16 -2.09 3.80 3.38 -0.89 -2.73 115.31 116.62 3hx5 h LEU 66 Ca -0.00 -0.38 0.08 0.00 0.09 0.00 0.00 57.88 57.67 3hx5 h LEU 66 Cb 0.60 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 3hx5 h LEU 66 CO 0.03 0.41 0.23 -0.07 0.09 0.00 0.00 178.44 179.14 3hx5 h LEU 67 N -0.86 0.00 -0.15 1.67 3.38 -1.10 0.23 115.31 118.48 3hx5 h LEU 67 Ca -0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 3hx5 h LEU 67 Cb 0.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 3hx5 h LEU 67 CO 0.03 0.00 -0.13 0.50 0.09 0.00 0.00 178.44 178.93 3hx5 h LYS 68 N 0.00 0.35 -0.31 1.13 1.63 -1.34 -2.80 116.57 115.22 3hx5 h LYS 68 Ca 0.13 -0.18 -0.11 0.00 -0.85 0.00 0.00 60.65 59.65 3hx5 h LYS 68 Cb 0.59 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.21 3hx5 h LYS 68 CO -0.00 0.72 -0.26 1.98 -3.45 0.00 0.00 179.45 178.44 3hx5 h MET 69 N -0.02 0.63 0.21 1.90 4.05 -0.88 -2.14 114.93 118.68 3hx5 h MET 69 Ca 0.03 -0.26 0.01 0.00 -0.28 0.00 0.00 59.70 59.20 3hx5 h MET 69 Cb 0.64 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.38 3hx5 h MET 69 CO 0.03 0.83 -0.49 0.37 0.23 0.00 0.00 176.91 177.88 3hx5 h GLN 70 N 0.55 -0.76 -0.01 0.39 5.75 -0.53 -0.48 115.11 120.02 3hx5 h GLN 70 Ca 0.07 0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.56 3hx5 h GLN 70 Cb 0.73 0.17 -0.01 0.00 1.07 0.00 0.00 27.48 29.45 3hx5 h GLN 70 CO 0.06 -0.50 -0.32 -0.91 -2.65 0.00 0.00 178.83 174.50 3hx5 h ASN 71 N -0.78 0.02 0.07 -0.69 4.21 -1.49 -1.52 115.58 115.39 3hx5 h ASN 71 Ca -0.01 -0.01 -0.08 0.00 1.21 0.00 0.00 56.30 57.41 3hx5 h ASN 71 Cb 0.76 -0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.95 3hx5 h ASN 71 CO -0.22 0.34 -0.25 1.56 -1.29 0.00 0.00 177.43 177.58 3hx5 h GLN 72 N 0.02 0.30 0.00 0.81 4.20 -0.71 -2.65 115.11 117.09 3hx5 h GLN 72 Ca 0.00 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.61 3hx5 h GLN 72 Cb 0.58 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.33 3hx5 h GLN 72 CO 0.04 0.54 -0.46 0.00 -0.67 0.00 0.00 178.83 178.28 3hx5 h ARG 73 N 0.27 0.00 0.00 1.46 2.47 -0.69 -3.48 114.38 114.41 3hx5 h ARG 73 Ca 0.04 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 3hx5 h ARG 73 Cb 0.59 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.91 3hx5 h ARG 73 CO 0.04 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.98 3hx5 n GLY 74 N 1.26 2.10 3.56 0.04 0.00 -0.89 -3.71 105.19 107.55 3hx5 n GLY 74 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.29 1.58 -0.13 -0.02 0.00 -0.62 -4.73 107.32 101.11 3hx5 s GLY 75 Ca 0.00 0.03 0.03 0.00 0.00 0.00 0.00 44.72 44.77 3hx5 s GLY 75 CO 0.00 0.66 -0.21 0.50 0.00 0.00 0.00 173.10 174.05 3hx5 s ARG 76 N -4.56 2.87 0.18 2.90 1.81 -1.26 -4.07 118.95 116.81 3hx5 s ARG 76 Ca 0.68 -0.80 -0.31 0.00 -1.72 0.00 0.00 55.73 53.57 3hx5 s ARG 76 Cb -0.24 -2.31 -0.10 0.00 -0.45 0.00 0.00 34.95 31.86 3hx5 s ARG 76 CO 0.62 0.01 1.55 0.00 -0.68 0.00 0.00 175.30 176.80 3hx5 s ALA 77 N 0.76 3.76 -0.12 2.13 0.00 -1.26 -5.00 121.76 122.02 3hx5 s ALA 77 Ca -0.09 1.37 -0.01 0.00 0.00 0.00 0.00 51.96 53.23 3hx5 s ALA 77 Cb -0.16 -3.61 0.03 0.00 0.00 0.00 0.00 23.12 19.38 3hx5 s ALA 77 CO -0.00 -0.78 -0.06 -0.51 0.00 0.00 0.00 175.76 174.41 3hx5 s LEU 78 N 0.92 1.21 -0.15 0.00 1.43 -1.26 -5.14 118.68 115.68 3hx5 s LEU 78 Ca 0.69 -0.38 -0.08 0.00 -1.03 0.00 0.00 54.13 53.33 3hx5 s LEU 78 Cb -0.44 -0.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.94 3hx5 s LEU 78 CO 0.33 -0.15 0.13 -0.36 0.23 0.00 0.00 176.35 176.53 3hx5 s PHE 79 N 1.73 3.49 0.42 0.29 0.08 -1.26 -4.88 117.98 117.85 3hx5 s PHE 79 Ca 0.04 0.41 0.07 0.00 0.12 0.00 0.00 56.93 57.58 3hx5 s PHE 79 Cb -0.13 -2.03 -0.04 0.00 -0.57 0.00 0.00 43.02 40.24 3hx5 s PHE 79 CO -0.08 0.52 0.23 -0.65 -0.10 0.00 0.00 175.22 175.14 3hx5 s GLN 80 N -0.39 2.29 0.53 0.44 -1.52 -1.26 -5.10 119.66 114.65 3hx5 s GLN 80 Ca 0.11 -1.79 -0.22 0.00 -1.95 0.00 0.00 55.36 51.52 3hx5 s GLN 80 Cb -0.12 -2.07 -0.05 0.00 -0.22 0.00 0.00 33.01 30.55 3hx5 s GLN 80 CO 0.01 -0.15 1.34 -0.51 -0.25 0.00 0.00 175.29 175.74 3hx5 s ASP 81 N -3.96 5.44 -0.25 5.90 -0.00 -1.26 -4.98 116.67 117.56 3hx5 s ASP 81 Ca 0.42 2.72 -0.13 0.00 -0.00 0.00 0.00 52.55 55.56 3hx5 s ASP 81 Cb 0.02 -2.63 -0.04 0.00 -0.00 0.00 0.00 42.92 40.26 3hx5 s ASP 81 CO 0.24 -1.45 0.27 -0.63 -0.00 0.00 0.00 175.17 173.60 3hx5 s ILE 82 N -1.32 5.27 0.20 0.77 1.01 -1.26 -5.06 121.20 120.80 3hx5 s ILE 82 Ca 0.69 0.39 -0.30 0.00 0.00 0.00 0.00 60.65 61.43 3hx5 s ILE 82 Cb -0.39 -3.61 -0.08 0.00 0.01 0.00 0.00 42.46 38.39 3hx5 s ILE 82 CO 0.47 0.26 1.15 -0.54 0.00 0.00 0.00 174.94 176.28 3hx5 s LYS 83 N 1.53 4.54 0.80 2.79 1.02 -1.26 -5.02 119.74 124.14 3hx5 s LYS 83 Ca 0.12 1.81 -0.13 0.00 0.02 0.00 0.00 55.97 57.79 3hx5 s LYS 83 Cb -0.15 -3.25 0.08 0.00 -0.52 0.00 0.00 37.83 33.99 3hx5 s LYS 83 CO 0.08 0.01 1.18 -1.59 -0.92 0.00 0.00 175.35 174.11 3hx5 s LYS 84 N -0.45 1.74 0.86 1.68 -2.85 -1.26 -4.87 119.74 114.59 3hx5 s LYS 84 Ca 0.50 1.67 -0.11 0.00 -1.00 0.00 0.00 55.97 57.03 3hx5 s LYS 84 Cb -0.31 -1.80 0.11 0.00 -2.06 0.00 0.00 37.83 33.77 3hx5 s LYS 84 CO 0.37 -2.12 1.16 -2.14 0.10 0.00 0.00 175.35 172.72 3hx5 s PRO 85 N -4.21 1.37 0.41 1.78 0.02 -1.26 -4.91 135.00 128.19 3hx5 s PRO 85 Ca 0.71 1.58 0.09 0.00 0.02 0.00 0.00 61.00 63.41 3hx5 s PRO 85 Cb -0.27 -1.76 0.89 0.00 0.02 0.00 0.00 34.50 33.38 3hx5 s PRO 85 CO 0.50 -2.38 2.00 0.00 -0.33 0.00 0.00 177.00 176.80 3hx5 h ALA 86 N -1.44 1.82 -2.36 -1.55 0.00 -1.98 -3.44 119.26 110.31 3hx5 h ALA 86 Ca -0.44 -0.02 -0.43 0.00 0.00 0.00 0.00 54.91 54.02 3hx5 h ALA 86 Cb 1.27 -0.14 -0.15 0.00 0.00 0.00 0.00 17.79 18.77 3hx5 h ALA 86 CO 0.44 0.09 -0.74 -1.21 0.00 0.00 0.00 179.25 177.83 3hx5 s GLU 87 N -5.51 1.24 -0.18 0.00 0.41 -1.26 -5.04 118.70 108.36 3hx5 s GLU 87 Ca -0.08 -1.51 0.14 0.00 -0.41 0.00 0.00 54.97 53.10 3hx5 s GLU 87 Cb 0.19 -1.02 -0.23 0.00 -1.78 0.00 0.00 34.13 31.28 3hx5 s GLU 87 CO 0.75 0.17 0.13 -0.25 -0.49 0.00 0.00 175.26 175.57 3hx5 n ASP 88 N -0.19 0.54 -4.08 -0.19 8.00 -1.26 -4.89 116.55 114.48 3hx5 n ASP 88 Ca -0.10 0.05 -0.27 0.00 0.71 0.00 0.00 54.79 55.19 3hx5 n ASP 88 Cb 0.60 0.53 -0.17 0.00 -0.02 0.00 0.00 41.12 42.06 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 -2.51 2.10 -0.14 -1.24 2.02 -1.26 -5.01 118.70 112.66 3hx5 s GLU 89 Ca -0.14 -0.55 0.17 0.00 0.02 0.00 0.00 54.97 54.47 3hx5 s GLU 89 Cb 0.07 -1.67 0.70 0.00 0.10 0.00 0.00 34.13 33.33 3hx5 s GLU 89 CO 0.79 0.07 1.62 0.91 0.02 0.00 0.00 175.26 178.67 3hx5 n TRP 90 N 3.73 1.50 -3.32 1.61 7.02 -1.26 -5.07 117.44 121.65 3hx5 n TRP 90 Ca -0.22 -0.66 0.00 0.00 -1.02 0.00 0.00 57.50 55.61 3hx5 n TRP 90 Cb 0.52 -0.29 0.00 0.00 -2.42 0.00 0.00 31.31 29.12 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 0.83 2.79 3.96 6.99 0.00 -1.26 -3.44 105.19 115.06 3hx5 n GLY 91 Ca 0.25 -0.36 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 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 2.56 0.21 1.61 1.02 -1.26 -4.91 119.74 118.97 3hx5 s LYS 92 Ca 0.00 -0.61 -0.11 0.00 0.02 0.00 0.00 55.97 55.26 3hx5 s LYS 92 Cb 0.00 -2.43 0.28 0.00 -0.52 0.00 0.00 37.83 35.16 3hx5 s LYS 92 CO 0.00 -0.75 1.66 1.15 -0.92 0.00 0.00 175.35 176.49 3hx5 h THR 93 N -0.02 0.50 -0.74 2.17 2.02 -2.00 -1.82 112.91 113.02 3hx5 h THR 93 Ca -0.43 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 66.72 3hx5 h THR 93 Cb 1.29 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 68.04 3hx5 h THR 93 CO 0.55 0.02 0.48 -0.65 0.37 0.00 0.00 175.52 176.28 3hx5 h PRO 94 N 0.11 0.98 0.69 6.66 0.11 -1.95 0.23 132.00 138.83 3hx5 h PRO 94 Ca 0.31 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.33 3hx5 h PRO 94 Cb 0.51 -0.22 0.01 0.00 0.11 0.00 0.00 31.00 31.41 3hx5 h PRO 94 CO -0.52 0.65 -0.33 -0.44 -0.21 0.00 0.00 178.00 177.15 3hx5 h ASP 95 N 1.00 -0.79 -0.71 -2.05 3.45 -1.62 -2.04 116.42 113.67 3hx5 h ASP 95 Ca 0.27 0.01 0.07 0.00 0.43 0.00 0.00 57.03 57.81 3hx5 h ASP 95 Cb -0.10 0.20 -0.06 0.00 -0.56 0.00 0.00 39.33 38.81 3hx5 h ASP 95 CO -0.06 -0.53 0.39 0.00 -1.57 0.00 0.00 179.24 177.48 3hx5 h ALA 96 N -0.71 0.96 -0.19 3.45 0.00 -1.26 -0.49 119.26 121.02 3hx5 h ALA 96 Ca -0.10 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3hx5 h ALA 96 Cb 0.73 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3hx5 h ALA 96 CO 0.16 0.05 0.09 1.98 0.00 0.00 0.00 179.25 181.53 3hx5 h MET 97 N 0.70 0.26 -0.21 0.00 -1.53 -0.86 -0.97 114.93 112.33 3hx5 h MET 97 Ca 0.32 -0.02 -0.17 0.00 -3.44 0.00 0.00 59.70 56.39 3hx5 h MET 97 Cb 0.23 -0.05 0.00 0.00 -0.55 0.00 0.00 31.60 31.23 3hx5 h MET 97 CO -0.20 0.21 -0.54 0.87 0.14 0.00 0.00 176.91 177.38 3hx5 h LYS 98 N 0.26 0.73 -0.54 0.39 1.57 -0.37 -1.62 116.57 116.99 3hx5 h LYS 98 Ca 0.07 -0.51 -0.03 0.00 -1.87 0.00 0.00 60.65 58.31 3hx5 h LYS 98 Cb 0.04 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3hx5 h LYS 98 CO -0.01 1.13 0.22 0.00 -0.57 0.00 0.00 179.45 180.23 3hx5 h ALA 99 N 0.60 0.71 -0.65 3.86 0.00 -0.63 -1.12 119.26 122.03 3hx5 h ALA 99 Ca -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3hx5 h ALA 99 Cb 1.16 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3hx5 h ALA 99 CO 0.12 0.31 0.37 0.00 0.00 0.00 0.00 179.25 180.05 3hx5 h ALA 100 N 1.07 0.83 -0.45 0.00 0.00 -1.18 -0.61 119.26 118.92 3hx5 h ALA 100 Ca 0.18 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.04 3hx5 h ALA 100 Cb 0.19 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3hx5 h ALA 100 CO -0.02 0.33 0.19 1.98 0.00 0.00 0.00 179.25 181.74 3hx5 h MET 101 N 0.88 0.38 -0.37 0.00 -1.53 -0.85 -1.33 114.93 112.12 3hx5 h MET 101 Ca 0.23 -0.02 -0.04 0.00 -3.44 0.00 0.00 59.70 56.43 3hx5 h MET 101 Cb 0.02 -0.08 -0.02 0.00 -0.55 0.00 0.00 31.60 30.97 3hx5 h MET 101 CO -0.04 0.25 0.09 0.00 0.14 0.00 0.00 176.91 177.35 3hx5 h ALA 102 N 1.27 0.49 -0.68 0.39 0.00 -0.78 -2.28 119.26 117.67 3hx5 h ALA 102 Ca 0.20 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3hx5 h ALA 102 Cb 0.15 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3hx5 h ALA 102 CO -0.17 0.15 0.45 1.25 0.00 0.00 0.00 179.25 180.93 3hx5 h LEU 103 N 0.45 0.66 -0.22 0.00 5.85 -0.65 -0.72 115.31 120.67 3hx5 h LEU 103 Ca 0.12 -0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.65 3hx5 h LEU 103 Cb 0.30 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3hx5 h LEU 103 CO 0.00 0.44 -0.89 -0.33 -0.34 0.00 0.00 178.44 177.32 3hx5 h GLU 104 N 0.76 0.01 -0.25 1.25 4.39 -1.10 -2.26 114.58 117.38 3hx5 h GLU 104 Ca 0.28 -0.02 -0.16 0.00 0.34 0.00 0.00 59.36 59.80 3hx5 h GLU 104 Cb 0.16 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 3hx5 h GLU 104 CO -0.08 0.89 -0.49 0.87 -1.16 0.00 0.00 179.01 179.04 3hx5 h LYS 105 N 0.01 0.69 -0.06 2.33 1.57 -0.77 -0.48 116.57 119.85 3hx5 h LYS 105 Ca -0.01 -0.40 -0.00 0.00 -1.87 0.00 0.00 60.65 58.36 3hx5 h LYS 105 Cb 1.57 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.91 3hx5 h LYS 105 CO 0.12 1.02 0.02 -0.22 -0.57 0.00 0.00 179.45 179.82 3hx5 h LYS 106 N 0.54 0.10 -0.91 3.15 3.64 -1.15 -1.34 116.57 120.59 3hx5 h LYS 106 Ca 0.02 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3hx5 h LYS 106 Cb 1.05 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.81 3hx5 h LYS 106 CO 0.10 0.26 0.51 -0.07 -2.27 0.00 0.00 179.45 177.99 3hx5 h LEU 107 N -0.08 1.13 -0.92 5.20 3.38 -1.34 -1.07 115.31 121.60 3hx5 h LEU 107 Ca 0.02 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3hx5 h LEU 107 Cb 0.20 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3hx5 h LEU 107 CO -0.00 0.89 0.18 -1.13 0.09 0.00 0.00 178.44 178.47 3hx5 h ASN 108 N 1.27 0.90 0.05 -0.43 -1.24 -0.92 -1.35 115.58 113.86 3hx5 h ASN 108 Ca 0.32 -0.16 -0.00 0.00 0.71 0.00 0.00 56.30 57.17 3hx5 h ASN 108 Cb 0.00 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 38.82 3hx5 h ASN 108 CO -0.05 0.86 -0.03 -0.61 -1.29 0.00 0.00 177.43 176.31 3hx5 h GLN 109 N 0.93 -0.07 -0.93 6.67 5.75 -0.51 -0.03 115.11 126.92 3hx5 h GLN 109 Ca 0.20 0.00 0.11 0.00 -0.15 0.00 0.00 58.65 58.81 3hx5 h GLN 109 Cb 0.30 0.02 -0.07 0.00 1.07 0.00 0.00 27.48 28.79 3hx5 h GLN 109 CO -0.00 0.10 0.59 0.00 -2.65 0.00 0.00 178.83 176.87 3hx5 h ALA 110 N 0.71 1.62 -0.50 3.38 0.00 -0.97 0.46 119.26 123.95 3hx5 h ALA 110 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3hx5 h ALA 110 Cb 0.20 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3hx5 h ALA 110 CO 0.01 0.18 0.14 -0.07 0.00 0.00 0.00 179.25 179.51 3hx5 h LEU 111 N 0.91 0.74 -0.76 0.00 3.38 -0.81 -0.78 115.31 118.00 3hx5 h LEU 111 Ca 0.44 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 3hx5 h LEU 111 Cb 0.45 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3hx5 h LEU 111 CO -0.20 0.77 0.21 -0.07 0.09 0.00 0.00 178.44 179.24 3hx5 h LEU 112 N 0.68 1.08 0.34 1.67 3.38 0.11 -0.16 115.31 122.41 3hx5 h LEU 112 Ca 0.16 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3hx5 h LEU 112 Cb 0.31 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3hx5 h LEU 112 CO -0.00 1.01 -0.23 0.44 0.09 0.00 0.00 178.44 179.75 3hx5 h ASP 113 N 1.09 -0.58 -0.64 -0.43 3.45 0.16 -1.09 116.42 118.38 3hx5 h ASP 113 Ca 0.23 0.04 0.05 0.00 0.43 0.00 0.00 57.03 57.78 3hx5 h ASP 113 Cb 0.33 0.18 -0.04 0.00 -0.56 0.00 0.00 39.33 39.24 3hx5 h ASP 113 CO -0.00 -0.36 0.42 0.25 -1.57 0.00 0.00 179.24 177.98 3hx5 h LEU 114 N -0.55 0.61 -0.50 1.55 5.85 -0.98 0.16 115.31 121.45 3hx5 h LEU 114 Ca -0.03 -0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.53 3hx5 h LEU 114 Cb 0.47 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3hx5 h LEU 114 CO 0.02 0.41 -0.45 -0.74 -0.34 0.00 0.00 178.44 177.35 3hx5 h HIS 115 N 0.71 0.89 -0.39 1.25 2.76 -0.55 -1.50 115.15 118.32 3hx5 h HIS 115 Ca 0.26 -0.28 -0.16 0.00 -2.20 0.00 0.00 60.37 58.00 3hx5 h HIS 115 Cb 0.16 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 28.93 3hx5 h HIS 115 CO -0.00 1.04 -0.38 0.00 -1.30 0.00 0.00 177.93 177.30 3hx5 h ALA 116 N 0.91 0.59 0.00 5.26 0.00 -0.59 -2.23 119.26 123.19 3hx5 h ALA 116 Ca 0.04 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 3hx5 h ALA 116 Cb 1.00 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 3hx5 h ALA 116 CO 0.10 0.68 -0.08 1.25 0.00 0.00 0.00 179.25 181.19 3hx5 h LEU 117 N 0.77 0.00 0.18 0.00 5.85 -0.87 -1.81 115.31 119.42 3hx5 h LEU 117 Ca 0.06 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.47 3hx5 h LEU 117 Cb 0.97 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.02 3hx5 h LEU 117 CO 0.09 0.08 -1.44 1.23 -0.34 0.00 0.00 178.44 178.07 3hx5 h GLY 118 N 0.73 0.44 1.98 3.75 0.00 -0.89 -3.01 103.07 106.08 3hx5 h GLY 118 Ca -0.00 -1.13 -0.10 0.00 0.00 0.00 0.00 47.33 46.10 3hx5 h GLY 118 CO 0.01 0.99 -0.48 1.76 0.00 0.00 0.00 176.54 178.83 3hx5 h SER 119 N 0.11 0.02 -0.14 0.19 0.02 -0.85 -0.66 113.55 112.24 3hx5 h SER 119 Ca -0.22 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.68 3hx5 h SER 119 Cb 2.07 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 64.60 3hx5 h SER 119 CO 0.22 0.49 -0.08 0.00 -1.14 0.00 0.00 176.83 176.33 3hx5 h ALA 120 N 1.51 0.20 -0.09 3.77 0.00 -1.43 -2.83 119.26 120.40 3hx5 h ALA 120 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3hx5 h ALA 120 Cb 0.85 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3hx5 h ALA 120 CO 0.06 0.01 0.00 0.54 0.00 0.00 0.00 179.25 179.87 3hx5 n ARG 121 N -4.64 1.27 -4.10 0.00 5.12 -1.14 -4.91 116.66 108.26 3hx5 n ARG 121 Ca -0.06 -0.35 -0.44 0.00 -1.93 0.00 0.00 57.85 55.08 3hx5 n ARG 121 Cb 0.30 -1.17 0.00 0.00 -1.16 0.00 0.00 32.46 30.44 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 -0.17 -2.59 -3.75 0.55 -2.24 -0.77 -4.93 114.28 100.38 3hx5 n THR 122 Ca 0.03 -0.60 -0.30 0.00 -2.27 0.00 0.00 64.05 60.91 3hx5 n THR 122 Cb 0.13 -2.18 -0.10 0.00 -2.10 0.00 0.00 70.33 66.09 3hx5 n THR 122 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3hx5 n ASP 123 N -2.29 3.54 0.34 3.42 2.03 -0.32 -4.96 116.55 118.30 3hx5 n ASP 123 Ca -0.15 -3.23 0.18 0.00 0.52 0.00 0.00 54.79 52.12 3hx5 n ASP 123 Cb 0.59 -0.84 0.98 0.00 -0.72 0.00 0.00 41.12 41.12 3hx5 n ASP 123 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3hx5 h PRO 124 N 5.40 0.00 -0.03 -0.67 0.13 -1.92 -2.41 132.00 132.51 3hx5 h PRO 124 Ca 0.16 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.24 3hx5 h PRO 124 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3hx5 h PRO 124 CO 0.79 0.00 -0.18 1.25 -0.23 0.00 0.00 178.00 179.63 3hx5 h HIS 125 N 0.00 0.23 -0.35 1.56 2.76 -1.97 -1.17 115.15 116.21 3hx5 h HIS 125 Ca 0.00 -0.11 -0.03 0.00 -2.20 0.00 0.00 60.37 58.03 3hx5 h HIS 125 Cb 0.41 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.32 3hx5 h HIS 125 CO 0.00 0.83 0.08 1.25 -1.30 0.00 0.00 177.93 178.80 3hx5 h LEU 126 N -0.44 0.47 -0.21 0.26 5.85 -1.84 0.69 115.31 120.09 3hx5 h LEU 126 Ca -0.01 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 3hx5 h LEU 126 Cb 0.86 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 3hx5 h LEU 126 CO 0.04 0.48 -0.07 0.00 -0.34 0.00 0.00 178.44 178.55 3hx5 h ASP 128 N 0.14 0.04 0.47 0.00 3.58 -0.88 -2.53 116.42 117.24 3hx5 h ASP 128 Ca 0.05 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.46 3hx5 h ASP 128 Cb 0.54 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.59 3hx5 h ASP 128 CO 0.03 0.51 -0.24 0.15 -2.88 0.00 0.00 179.24 176.81 3hx5 h PHE 129 N 0.03 -0.63 -0.67 0.28 3.04 -0.77 -2.41 116.94 115.81 3hx5 h PHE 129 Ca -0.00 -0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.88 3hx5 h PHE 129 Cb 0.86 0.21 -0.03 0.00 2.56 0.00 0.00 35.95 39.55 3hx5 h PHE 129 CO 0.00 -0.38 0.20 -0.07 -2.02 0.00 0.00 178.31 176.04 3hx5 h LEU 130 N -0.66 0.96 -0.37 0.59 3.38 -1.46 -2.52 115.31 115.22 3hx5 h LEU 130 Ca -0.06 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.76 3hx5 h LEU 130 Cb 0.51 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3hx5 h LEU 130 CO 0.10 0.90 0.19 -0.33 0.09 0.00 0.00 178.44 179.38 3hx5 h GLU 131 N 0.99 0.38 0.11 1.13 5.08 -1.35 0.96 114.58 121.88 3hx5 h GLU 131 Ca 0.22 -0.02 -0.27 0.00 -1.00 0.00 0.00 59.36 58.29 3hx5 h GLU 131 Cb 0.29 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3hx5 h GLU 131 CO -0.01 0.25 -1.21 1.15 -1.00 0.00 0.00 179.01 178.20 3hx5 h THR 132 N 0.39 1.51 -0.01 1.13 2.02 -1.39 -3.37 112.91 113.20 3hx5 h THR 132 Ca 0.16 -3.06 0.00 0.00 0.77 0.00 0.00 66.41 64.27 3hx5 h THR 132 Cb 0.06 2.91 0.00 0.00 -1.74 0.00 0.00 68.15 69.38 3hx5 h THR 132 CO -0.11 0.89 -0.09 1.41 0.37 0.00 0.00 175.52 177.99 3hx5 n HIS 133 N -3.53 0.00 0.00 3.16 8.25 -0.96 -4.90 115.22 117.24 3hx5 n HIS 133 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 3hx5 n HIS 133 Cb 1.01 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.12 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 -0.00 0.00 0.30 4.41 3.72 0.15 -4.77 117.46 121.27 3hx5 n PHE 134 Ca 0.04 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.27 3hx5 n PHE 134 Cb 0.17 0.15 -0.08 0.00 -0.94 0.00 0.00 39.48 38.78 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 0.00 -0.64 -1.32 4.37 3.38 -1.23 -1.73 115.31 118.14 3hx5 h LEU 135 Ca 0.00 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3hx5 h LEU 135 Cb 0.28 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3hx5 h LEU 135 CO 0.00 -0.38 0.14 -0.78 0.09 0.00 0.00 178.44 177.51 3hx5 h ASP 136 N -0.86 0.55 0.07 -0.43 -0.00 -1.83 -1.87 116.42 112.05 3hx5 h ASP 136 Ca -0.08 -0.07 -0.00 0.00 -0.00 0.00 0.00 57.03 56.88 3hx5 h ASP 136 Cb 0.62 -0.14 0.00 0.00 -0.00 0.00 0.00 39.33 39.81 3hx5 h ASP 136 CO 0.13 0.53 -0.03 -0.33 -0.00 0.00 0.00 179.24 179.53 3hx5 h GLU 137 N 0.60 -0.09 -0.73 0.28 4.39 -1.84 -1.89 114.58 115.30 3hx5 h GLU 137 Ca 0.14 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.81 3hx5 h GLU 137 Cb 0.17 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 3hx5 h GLU 137 CO -0.01 0.04 0.29 0.93 -1.16 0.00 0.00 179.01 179.10 3hx5 h GLU 138 N -0.20 1.10 0.32 2.33 4.39 -1.08 -1.25 114.58 120.18 3hx5 h GLU 138 Ca -0.01 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.49 3hx5 h GLU 138 Cb 0.17 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 3hx5 h GLU 138 CO 0.02 0.90 -0.44 0.28 -1.16 0.00 0.00 179.01 178.61 3hx5 h VAL 139 N 1.06 0.13 -0.68 3.13 2.07 -1.22 0.49 116.25 121.23 3hx5 h VAL 139 Ca 0.24 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.80 3hx5 h VAL 139 Cb 0.22 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.08 3hx5 h VAL 139 CO -0.02 0.00 0.45 0.11 0.02 0.00 0.00 177.57 178.13 3hx5 h LYS 140 N -0.80 0.76 -0.01 1.57 1.57 -1.20 -0.78 116.57 117.68 3hx5 h LYS 140 Ca -0.02 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.58 3hx5 h LYS 140 Cb 0.75 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 3hx5 h LYS 140 CO -0.13 0.50 -0.63 1.25 -0.57 0.00 0.00 179.45 179.87 3hx5 h LEU 141 N 0.79 0.03 0.05 2.94 5.85 -0.86 -1.49 115.31 122.62 3hx5 h LEU 141 Ca 0.28 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 3hx5 h LEU 141 Cb 0.11 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.13 3hx5 h LEU 141 CO -0.08 0.65 -0.02 0.40 -0.34 0.00 0.00 178.44 179.05 3hx5 h ILE 142 N 0.02 1.26 -0.54 4.05 2.04 0.27 -1.86 117.51 122.75 3hx5 h ILE 142 Ca -0.01 -1.09 0.09 0.00 1.00 0.00 0.00 64.86 64.86 3hx5 h ILE 142 Cb 1.12 1.97 -0.07 0.00 -0.74 0.00 0.00 36.82 39.09 3hx5 h ILE 142 CO 0.08 0.27 0.15 0.50 0.00 0.00 0.00 178.15 179.15 3hx5 h LYS 143 N -0.56 0.29 -0.26 2.37 1.63 -1.15 0.11 116.57 119.00 3hx5 h LYS 143 Ca -0.01 -0.02 0.01 0.00 -0.85 0.00 0.00 60.65 59.79 3hx5 h LYS 143 Cb 0.49 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.04 3hx5 h LYS 143 CO 0.01 0.19 0.14 -0.22 -3.45 0.00 0.00 179.45 176.13 3hx5 h LYS 144 N 0.30 0.29 0.00 1.90 3.64 -1.24 -0.81 116.57 120.64 3hx5 h LYS 144 Ca 0.27 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.60 3hx5 h LYS 144 Cb 0.36 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3hx5 h LYS 144 CO -0.32 0.19 -0.17 0.52 -2.27 0.00 0.00 179.45 177.40 3hx5 h MET 145 N 0.30 0.00 -0.07 1.90 2.86 -0.50 -2.38 114.93 117.04 3hx5 h MET 145 Ca 0.10 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 3hx5 h MET 145 Cb 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 3hx5 h MET 145 CO -0.05 0.17 -0.05 0.78 1.06 0.00 0.00 176.91 178.82 3hx5 h GLY 146 N 1.15 0.16 0.78 8.32 0.00 0.44 -2.39 103.07 111.53 3hx5 h GLY 146 Ca -0.00 -0.15 0.06 0.00 0.00 0.00 0.00 47.33 47.23 3hx5 h GLY 146 CO 0.02 0.14 0.64 -0.55 0.00 0.00 0.00 176.54 176.79 3hx5 h ASP 147 N -0.26 1.04 -0.29 0.19 3.32 -0.85 -1.65 116.42 117.92 3hx5 h ASP 147 Ca 0.01 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 3hx5 h ASP 147 Cb 0.52 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 3hx5 h ASP 147 CO 0.01 0.68 -0.08 0.45 -1.72 0.00 0.00 179.24 178.58 3hx5 h HIS 148 N 1.19 0.74 -0.28 4.55 3.86 -1.39 -1.48 115.15 122.35 3hx5 h HIS 148 Ca 0.42 -0.12 -0.06 0.00 -1.16 0.00 0.00 60.37 59.45 3hx5 h HIS 148 Cb 0.12 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 3hx5 h HIS 148 CO -0.00 0.75 -0.05 -0.07 0.86 0.00 0.00 177.93 179.42 3hx5 h LEU 149 N 0.63 0.52 -0.69 2.43 3.38 -0.79 0.98 115.31 121.78 3hx5 h LEU 149 Ca 0.12 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3hx5 h LEU 149 Cb 0.52 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3hx5 h LEU 149 CO 0.03 0.75 0.39 0.74 0.09 0.00 0.00 178.44 180.45 3hx5 h THR 150 N 0.29 1.21 -0.00 0.22 2.02 -1.21 -0.90 112.91 114.52 3hx5 h THR 150 Ca 0.07 -0.49 -0.14 0.00 0.77 0.00 0.00 66.41 66.62 3hx5 h THR 150 Cb 0.51 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 3hx5 h THR 150 CO 0.02 0.22 -0.67 0.78 0.37 0.00 0.00 175.52 176.25 3hx5 h ASN 151 N 0.94 0.01 -0.15 4.18 2.35 -1.13 -2.22 115.58 119.56 3hx5 h ASN 151 Ca 0.24 -0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.83 3hx5 h ASN 151 Cb 0.01 -0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.38 3hx5 h ASN 151 CO -0.04 0.67 -0.52 -0.07 -1.65 0.00 0.00 177.43 175.82 3hx5 h LEU 152 N 0.01 0.72 -1.25 1.61 3.38 -0.47 -2.94 115.31 116.37 3hx5 h LEU 152 Ca -0.01 -0.61 -0.04 0.00 0.09 0.00 0.00 57.88 57.31 3hx5 h LEU 152 Cb 1.18 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 3hx5 h LEU 152 CO 0.09 1.20 0.04 -0.74 0.09 0.00 0.00 178.44 179.12 3hx5 h HIS 153 N 0.28 0.56 -0.71 1.13 2.76 -1.16 -2.89 115.15 115.12 3hx5 h HIS 153 Ca -0.02 -0.05 -0.06 0.00 -2.20 0.00 0.00 60.37 58.04 3hx5 h HIS 153 Cb 1.15 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.91 3hx5 h HIS 153 CO 0.10 0.52 0.22 -0.09 -1.30 0.00 0.00 177.93 177.39 3hx5 h ARG 154 N 0.53 1.11 -4.31 5.26 2.43 -1.33 -3.35 114.38 114.72 3hx5 h ARG 154 Ca 0.12 -0.24 -0.52 0.00 -0.81 0.00 0.00 59.98 58.53 3hx5 h ARG 154 Cb 0.28 -0.16 0.06 0.00 -0.42 0.00 0.00 29.97 29.73 3hx5 h ARG 154 CO 0.00 0.95 2.07 1.28 -1.51 0.00 0.00 179.97 182.76 3hx5 n LEU 155 N -4.29 3.30 0.00 3.80 4.77 -1.09 -5.11 117.00 118.39 3hx5 n LEU 155 Ca 0.05 -2.45 0.00 0.00 -0.03 0.00 0.00 56.01 53.58 3hx5 n LEU 155 Cb 0.23 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.38 3hx5 n LEU 155 CO 0.41 -0.55 0.03 0.61 -1.33 0.00 0.00 177.39 176.57