#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 3.94 0.15 6.12 0.15 -1.26 -5.11 113.70 117.69 3hx5 s SER 2 Ca 0.00 -0.94 -0.31 0.00 0.70 0.00 0.00 55.95 55.40 3hx5 s SER 2 Cb 0.00 -0.48 -0.08 0.00 -1.71 0.00 0.00 66.02 63.75 3hx5 s SER 2 CO 0.00 -0.04 1.33 -0.55 1.20 0.00 0.00 173.24 175.18 3hx5 s SER 3 N -3.59 6.89 0.25 5.45 0.15 -1.26 -4.89 113.70 116.70 3hx5 s SER 3 Ca 0.31 2.33 0.12 0.00 0.70 0.00 0.00 55.95 59.42 3hx5 s SER 3 Cb -0.04 -2.60 0.68 0.00 -1.71 0.00 0.00 66.02 62.35 3hx5 s SER 3 CO 0.17 -0.57 1.30 0.00 1.20 0.00 0.00 173.24 175.34 3hx5 n GLN 4 N 3.31 0.08 -0.00 5.44 10.64 -1.26 -0.77 117.38 134.82 3hx5 n GLN 4 Ca 0.09 0.54 0.02 0.00 -1.83 0.00 0.00 57.00 55.82 3hx5 n GLN 4 Cb 0.43 -1.96 -0.03 0.00 -0.86 0.00 0.00 30.24 27.82 3hx5 n GLN 4 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.06 175.67 3hx5 n ILE 5 N -1.96 0.00 -1.74 -0.39 -5.35 -1.26 -5.05 119.36 103.60 3hx5 n ILE 5 Ca -0.01 -0.38 -0.39 0.00 -0.27 0.00 0.00 62.75 61.71 3hx5 n ILE 5 Cb 0.21 0.98 0.04 0.00 -1.74 0.00 0.00 39.64 39.13 3hx5 n ILE 5 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 3hx5 n ARG 6 N -1.13 1.72 -3.61 6.28 0.63 0.05 -4.81 116.66 115.80 3hx5 n ARG 6 Ca 0.01 0.63 -0.01 0.00 -0.92 0.00 0.00 57.85 57.57 3hx5 n ARG 6 Cb 0.08 -2.58 -0.06 0.00 0.45 0.00 0.00 32.46 30.35 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 -2.86 0.28 -0.60 -0.14 0.74 -1.26 -4.95 119.66 110.86 3hx5 s GLN 7 Ca 0.71 0.50 0.00 0.00 0.05 0.00 0.00 55.36 56.62 3hx5 s GLN 7 Cb -0.42 0.09 0.00 0.00 1.10 0.00 0.00 33.01 33.78 3hx5 s GLN 7 CO 0.50 -0.06 0.00 -1.71 -0.55 0.00 0.00 175.29 173.46 3hx5 n ASN 8 N 3.66 -5.41 -4.32 6.67 5.15 -1.26 -4.92 115.26 114.84 3hx5 n ASN 8 Ca -0.17 0.14 -0.46 0.00 -0.60 0.00 0.00 54.58 53.49 3hx5 n ASN 8 Cb 0.57 -3.64 -0.05 0.00 -0.53 0.00 0.00 39.78 36.13 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 -1.43 3.26 0.41 1.20 5.04 -1.26 -4.80 117.35 119.78 3hx5 s TYR 9 Ca 0.00 -1.31 -0.25 0.00 -2.44 0.00 0.00 57.07 53.06 3hx5 s TYR 9 Cb 0.00 -3.82 -0.08 0.00 0.35 0.00 0.00 41.96 38.40 3hx5 s TYR 9 CO 0.00 -1.04 1.26 -1.54 -1.34 0.00 0.00 175.55 172.88 3hx5 s SER 10 N 3.50 6.32 0.55 4.32 1.04 -1.26 -4.91 113.70 123.25 3hx5 s SER 10 Ca 0.05 2.55 0.33 0.00 0.48 0.00 0.00 55.95 59.36 3hx5 s SER 10 Cb -0.28 -2.63 1.42 0.00 0.10 0.00 0.00 66.02 64.63 3hx5 s SER 10 CO 0.02 -0.83 2.01 0.71 0.98 0.00 0.00 173.24 176.13 3hx5 h THR 11 N 2.35 0.11 -0.25 2.02 1.35 -1.98 -1.42 112.91 115.08 3hx5 h THR 11 Ca -0.49 -0.55 -0.02 0.00 -0.55 0.00 0.00 66.41 64.80 3hx5 h THR 11 Cb 1.25 1.49 -0.01 0.00 -1.73 0.00 0.00 68.15 69.14 3hx5 h THR 11 CO 0.62 0.04 0.08 0.44 -0.25 0.00 0.00 175.52 176.45 3hx5 h ASP 12 N 0.00 0.36 -0.15 5.36 3.45 -2.00 -2.13 116.42 121.31 3hx5 h ASP 12 Ca -0.00 -0.20 -0.06 0.00 0.43 0.00 0.00 57.03 57.20 3hx5 h ASP 12 Cb 0.48 -0.10 -0.00 0.00 -0.56 0.00 0.00 39.33 39.16 3hx5 h ASP 12 CO 0.00 0.46 -0.14 0.58 -1.57 0.00 0.00 179.24 178.58 3hx5 h VAL 13 N 0.24 1.34 -0.87 -1.35 2.07 -1.87 -2.48 116.25 113.34 3hx5 h VAL 13 Ca 0.08 -1.29 0.20 0.00 0.82 0.00 0.00 66.70 66.52 3hx5 h VAL 13 Cb 0.23 1.84 -0.12 0.00 -1.52 0.00 0.00 31.29 31.72 3hx5 h VAL 13 CO -0.00 0.38 0.37 -0.08 0.02 0.00 0.00 177.57 178.26 3hx5 h GLU 14 N 0.01 0.40 -0.14 1.57 4.81 -1.19 0.19 114.58 120.23 3hx5 h GLU 14 Ca 0.03 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 3hx5 h GLU 14 Cb 0.67 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.96 3hx5 h GLU 14 CO 0.04 0.26 -0.22 0.00 -0.73 0.00 0.00 179.01 178.36 3hx5 h ALA 15 N 1.68 0.21 0.00 2.92 0.00 -1.36 -2.60 119.26 120.11 3hx5 h ALA 15 Ca 0.53 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3hx5 h ALA 15 Cb 0.97 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 3hx5 h ALA 15 CO -0.51 0.17 -0.05 0.00 0.00 0.00 0.00 179.25 178.86 3hx5 h ALA 16 N 0.56 1.25 0.36 0.00 0.00 -0.68 0.23 119.26 120.98 3hx5 h ALA 16 Ca 0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3hx5 h ALA 16 Cb 0.80 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3hx5 h ALA 16 CO 0.05 0.07 -0.17 0.28 0.00 0.00 0.00 179.25 179.47 3hx5 h VAL 17 N 0.00 0.15 -0.21 0.00 2.07 -0.57 -0.92 116.25 116.77 3hx5 h VAL 17 Ca -0.00 -0.69 0.06 0.00 0.82 0.00 0.00 66.70 66.89 3hx5 h VAL 17 Cb 0.20 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 3hx5 h VAL 17 CO 0.01 0.04 0.23 0.78 0.02 0.00 0.00 177.57 178.64 3hx5 h ASN 18 N -1.09 0.00 -0.01 0.57 2.35 -1.06 0.42 115.58 116.76 3hx5 h ASN 18 Ca -0.05 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 3hx5 h ASN 18 Cb 0.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 3hx5 h ASN 18 CO 0.08 0.00 -0.03 -1.28 -1.65 0.00 0.00 177.43 174.55 3hx5 h SER 19 N 0.00 0.04 -0.11 5.81 0.87 -0.91 -2.97 113.55 116.28 3hx5 h SER 19 Ca 0.10 -0.63 -0.03 0.00 -1.23 0.00 0.00 61.79 59.99 3hx5 h SER 19 Cb 0.56 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 3hx5 h SER 19 CO -0.00 0.66 -0.02 0.25 -0.53 0.00 0.00 176.83 177.20 3hx5 h LEU 20 N -0.58 0.30 -0.57 2.23 5.85 0.46 -1.41 115.31 121.58 3hx5 h LEU 20 Ca -0.00 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 3hx5 h LEU 20 Cb 0.66 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 3hx5 h LEU 20 CO 0.01 0.37 0.29 0.58 -0.34 0.00 0.00 178.44 179.35 3hx5 h VAL 21 N 0.32 1.20 -0.56 1.05 2.07 -1.06 0.54 116.25 119.80 3hx5 h VAL 21 Ca 0.07 -0.53 -0.11 0.00 0.82 0.00 0.00 66.70 66.95 3hx5 h VAL 21 Cb 0.24 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 3hx5 h VAL 21 CO 0.01 0.22 -0.07 -1.13 0.02 0.00 0.00 177.57 176.62 3hx5 h ASN 22 N 0.77 1.02 -0.40 0.57 -0.73 -1.21 -0.63 115.58 114.98 3hx5 h ASN 22 Ca 0.20 -0.32 -0.05 0.00 1.87 0.00 0.00 56.30 58.00 3hx5 h ASN 22 Cb 0.08 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.38 3hx5 h ASN 22 CO -0.03 1.10 0.08 0.25 -0.37 0.00 0.00 177.43 178.46 3hx5 h LEU 23 N 0.92 0.68 -0.32 0.34 5.85 -0.82 -1.37 115.31 120.60 3hx5 h LEU 23 Ca 0.15 -0.13 -0.19 0.00 0.84 0.00 0.00 57.88 58.55 3hx5 h LEU 23 Cb 0.63 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.48 3hx5 h LEU 23 CO 0.04 0.70 -0.63 1.88 -0.34 0.00 0.00 178.44 180.09 3hx5 h TYR 24 N 0.70 0.95 0.00 1.25 -1.99 -0.56 -1.99 116.97 115.34 3hx5 h TYR 24 Ca 0.15 -0.37 -0.02 0.00 2.00 0.00 0.00 58.73 60.49 3hx5 h TYR 24 Cb 0.32 -0.17 -0.00 0.00 2.00 0.00 0.00 36.73 38.88 3hx5 h TYR 24 CO 0.02 1.18 -0.08 -0.07 -0.00 0.00 0.00 178.16 179.20 3hx5 h LEU 25 N 0.54 0.00 0.01 3.88 3.38 -0.68 0.29 115.31 122.74 3hx5 h LEU 25 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hx5 h LEU 25 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 3hx5 h LEU 25 CO 0.13 0.08 -0.00 -0.61 0.09 0.00 0.00 178.44 178.12 3hx5 h GLN 26 N 0.00 -0.01 -0.60 1.13 5.75 -0.95 -2.04 115.11 118.40 3hx5 h GLN 26 Ca -0.00 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.51 3hx5 h GLN 26 Cb 0.14 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.66 3hx5 h GLN 26 CO 0.01 0.48 0.40 0.00 -2.65 0.00 0.00 178.83 177.07 3hx5 h ALA 27 N 0.49 1.57 -0.24 3.38 0.00 -0.61 0.83 119.26 124.68 3hx5 h ALA 27 Ca -0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3hx5 h ALA 27 Cb 0.49 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3hx5 h ALA 27 CO 0.00 0.40 0.03 1.03 0.00 0.00 0.00 179.25 180.71 3hx5 h SER 28 N 0.81 0.40 -0.64 0.00 0.87 -0.94 -2.44 113.55 111.61 3hx5 h SER 28 Ca 0.22 -0.27 -0.05 0.00 -1.23 0.00 0.00 61.79 60.46 3hx5 h SER 28 Cb -0.09 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 61.73 3hx5 h SER 28 CO -0.05 0.57 0.22 0.22 -0.53 0.00 0.00 176.83 177.26 3hx5 h TYR 29 N 0.21 1.01 -0.06 2.24 3.20 -0.69 -1.83 116.97 121.04 3hx5 h TYR 29 Ca 0.07 -0.09 0.03 0.00 3.14 0.00 0.00 58.73 61.88 3hx5 h TYR 29 Cb 0.35 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 3hx5 h TYR 29 CO 0.02 0.81 -0.11 1.15 -1.64 0.00 0.00 178.16 178.39 3hx5 h THR 30 N 0.91 0.70 0.00 1.81 2.02 -0.77 -2.44 112.91 115.15 3hx5 h THR 30 Ca 0.21 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.30 3hx5 h THR 30 Cb 0.26 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 3hx5 h THR 30 CO -0.01 0.00 -0.40 1.88 0.37 0.00 0.00 175.52 177.36 3hx5 h TYR 31 N -0.16 0.00 -0.75 3.16 0.05 -1.33 -0.79 116.97 117.15 3hx5 h TYR 31 Ca 0.06 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.84 3hx5 h TYR 31 Cb 0.25 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.95 3hx5 h TYR 31 CO -0.20 0.40 0.45 1.25 -1.05 0.00 0.00 178.16 179.01 3hx5 h LEU 32 N 0.00 0.90 0.14 3.88 5.85 -0.90 0.62 115.31 125.80 3hx5 h LEU 32 Ca -0.00 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 3hx5 h LEU 32 Cb 0.71 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.52 3hx5 h LEU 32 CO 0.05 0.70 -0.07 -1.28 -0.34 0.00 0.00 178.44 177.51 3hx5 h SER 33 N 1.03 -0.16 -0.35 1.25 0.87 -1.06 -2.18 113.55 112.95 3hx5 h SER 33 Ca 0.27 -0.31 0.10 0.00 -1.23 0.00 0.00 61.79 60.62 3hx5 h SER 33 Cb -0.04 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 3hx5 h SER 33 CO -0.05 0.25 0.31 -0.07 -0.53 0.00 0.00 176.83 176.74 3hx5 h LEU 34 N -0.60 0.00 0.00 2.23 3.38 -0.87 -1.12 115.31 118.33 3hx5 h LEU 34 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hx5 h LEU 34 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3hx5 h LEU 34 CO 0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.17 3hx5 n GLY 35 N -1.52 -1.65 0.24 0.83 0.00 0.21 -3.64 105.19 99.67 3hx5 n GLY 35 Ca 0.06 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.24 3hx5 n GLY 35 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3hx5 h PHE 36 N 0.00 0.00 -0.61 1.61 -1.00 -1.16 -2.07 116.94 113.71 3hx5 h PHE 36 Ca 0.00 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.71 3hx5 h PHE 36 Cb 0.00 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.54 3hx5 h PHE 36 CO 0.12 0.00 0.11 -0.92 -1.61 0.00 0.00 178.31 176.01 3hx5 h TYR 37 N 0.00 1.06 -0.00 -0.55 3.20 -1.28 -2.04 116.97 117.36 3hx5 h TYR 37 Ca 0.00 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.73 3hx5 h TYR 37 Cb 0.06 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.04 3hx5 h TYR 37 CO 0.00 0.91 -0.01 1.19 -1.64 0.00 0.00 178.16 178.61 3hx5 n PHE 38 N -4.30 0.00 0.87 -3.82 3.72 -0.78 -2.90 117.46 110.25 3hx5 n PHE 38 Ca 0.03 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.55 3hx5 n PHE 38 Cb 0.27 -0.14 0.20 0.00 -0.94 0.00 0.00 39.48 38.87 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 -1.09 0.56 -4.77 4.37 4.64 -0.78 -2.45 116.55 117.04 3hx5 n ASP 39 Ca 0.19 -0.19 -0.40 0.00 -1.38 0.00 0.00 54.79 53.01 3hx5 n ASP 39 Cb 0.19 0.31 -0.01 0.00 -1.04 0.00 0.00 41.12 40.57 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 -3.05 4.04 0.50 -0.67 0.52 -1.14 -4.79 118.95 114.36 3hx5 s ARG 40 Ca 0.09 2.18 0.16 0.00 -0.52 0.00 0.00 55.73 57.64 3hx5 s ARG 40 Cb 0.16 -2.82 1.20 0.00 0.52 0.00 0.00 34.95 34.01 3hx5 s ARG 40 CO 0.72 -0.44 2.09 0.38 0.02 0.00 0.00 175.30 178.07 3hx5 h ASP 41 N 2.81 0.11 -0.03 0.23 2.03 -1.91 0.82 116.42 120.49 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 1.24 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.72 3hx5 h ASP 41 CO 0.63 0.08 0.00 -0.90 -1.03 0.00 0.00 179.24 178.02 3hx5 n ASP 42 N -4.49 0.78 -0.02 4.15 3.85 -1.26 -4.07 116.55 115.48 3hx5 n ASP 42 Ca 0.01 -1.36 -0.05 0.00 -0.71 0.00 0.00 54.79 52.68 3hx5 n ASP 42 Cb 0.20 -0.02 -0.02 0.00 -1.35 0.00 0.00 41.12 39.94 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 -0.35 1.28 -3.31 2.12 0.31 -0.43 -5.09 118.33 112.84 3hx5 n VAL 43 Ca 0.19 0.23 -0.28 0.00 -0.01 0.00 0.00 64.34 64.47 3hx5 n VAL 43 Cb 0.22 -1.90 0.03 0.00 -0.91 0.00 0.00 33.84 31.28 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 -3.89 -2.54 -2.98 3.52 0.00 0.15 -5.00 120.51 109.77 3hx5 n ALA 44 Ca -0.09 0.56 -0.16 0.00 0.00 0.00 0.00 53.44 53.76 3hx5 n ALA 44 Cb 0.29 -2.64 -0.01 0.00 0.00 0.00 0.00 19.45 17.09 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 -0.36 -1.20 -0.18 0.00 4.77 -1.02 -4.99 117.00 114.01 3hx5 n LEU 45 Ca -0.03 -4.08 0.23 0.00 -0.03 0.00 0.00 56.01 52.09 3hx5 n LEU 45 Cb 0.61 0.74 0.62 0.00 -2.33 0.00 0.00 43.42 43.07 3hx5 n LEU 45 CO 0.54 2.05 1.23 -0.08 -1.33 0.00 0.00 177.39 179.80 3hx5 h GLU 46 N 3.90 0.18 0.46 3.23 4.81 -1.95 0.65 114.58 125.85 3hx5 h GLU 46 Ca -0.03 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3hx5 h GLU 46 Cb 0.96 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.28 3hx5 h GLU 46 CO 0.39 0.12 -0.42 0.78 -0.73 0.00 0.00 179.01 179.15 3hx5 h GLY 47 N 0.18 -1.03 1.38 1.92 0.00 -1.94 0.00 103.07 103.58 3hx5 h GLY 47 Ca 0.42 0.48 -0.12 0.00 0.00 0.00 0.00 47.33 48.11 3hx5 h GLY 47 CO -0.08 -0.34 -0.29 -2.08 0.00 0.00 0.00 176.54 173.74 3hx5 h VAL 48 N -0.88 1.28 -0.12 4.60 2.07 -1.67 -2.43 116.25 119.10 3hx5 h VAL 48 Ca -0.05 -1.42 0.04 0.00 0.82 0.00 0.00 66.70 66.10 3hx5 h VAL 48 Cb 0.77 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.83 3hx5 h VAL 48 CO -0.04 0.47 -0.22 -1.28 0.02 0.00 0.00 177.57 176.51 3hx5 h SER 49 N 0.60 -0.68 -0.44 0.57 0.87 -0.64 -1.57 113.55 112.26 3hx5 h SER 49 Ca 0.07 0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.71 3hx5 h SER 49 Cb 0.80 0.30 -0.02 0.00 -0.44 0.00 0.00 62.40 63.05 3hx5 h SER 49 CO 0.07 -0.27 0.17 -0.74 -0.53 0.00 0.00 176.83 175.52 3hx5 h HIS 50 N -0.29 0.73 -0.38 2.24 6.17 -0.91 -1.96 115.15 120.74 3hx5 h HIS 50 Ca 0.10 -0.04 0.04 0.00 0.71 0.00 0.00 60.37 61.18 3hx5 h HIS 50 Cb 0.43 -0.22 -0.04 0.00 2.52 0.00 0.00 27.41 30.10 3hx5 h HIS 50 CO -0.32 0.59 0.14 0.35 0.71 0.00 0.00 177.93 179.40 3hx5 h PHE 51 N 0.71 0.26 -0.04 5.26 3.57 -0.80 -1.31 116.94 124.58 3hx5 h PHE 51 Ca 0.17 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.51 3hx5 h PHE 51 Cb 0.19 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 3hx5 h PHE 51 CO 0.01 0.11 -0.74 0.74 -2.23 0.00 0.00 178.31 176.20 3hx5 h PHE 52 N 0.30 0.36 0.00 0.41 0.05 -1.19 -2.83 116.94 114.05 3hx5 h PHE 52 Ca 0.17 -0.17 -0.04 0.00 3.82 0.00 0.00 57.97 61.76 3hx5 h PHE 52 Cb 0.14 -0.05 -0.01 0.00 2.00 0.00 0.00 35.95 38.03 3hx5 h PHE 52 CO -0.14 0.91 -0.17 0.00 -0.18 0.00 0.00 178.31 178.73 3hx5 h ARG 53 N 0.18 0.00 0.41 1.51 3.08 -0.89 0.41 114.38 119.07 3hx5 h ARG 53 Ca -0.03 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 3hx5 h ARG 53 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 3hx5 h ARG 53 CO 0.12 0.17 -0.20 0.93 -1.07 0.00 0.00 179.97 179.92 3hx5 h GLU 54 N 0.00 -0.53 -0.82 0.04 5.08 -1.07 -2.72 114.58 114.56 3hx5 h GLU 54 Ca -0.00 0.04 0.18 0.00 -1.00 0.00 0.00 59.36 58.58 3hx5 h GLU 54 Cb 0.40 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.71 3hx5 h GLU 54 CO 0.02 -0.23 0.55 -0.07 -1.00 0.00 0.00 179.01 178.28 3hx5 h LEU 55 N -0.99 0.35 -1.30 1.33 3.38 -1.23 0.56 115.31 117.41 3hx5 h LEU 55 Ca -0.06 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3hx5 h LEU 55 Cb 0.55 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3hx5 h LEU 55 CO 0.09 0.16 -0.03 0.00 0.09 0.00 0.00 178.44 178.75 3hx5 h ALA 56 N 1.63 1.43 0.00 1.53 0.00 -0.84 -1.19 119.26 121.82 3hx5 h ALA 56 Ca 0.41 -0.19 -0.20 0.00 0.00 0.00 0.00 54.91 54.93 3hx5 h ALA 56 Cb 1.07 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3hx5 h ALA 56 CO -0.13 0.40 -1.12 1.49 0.00 0.00 0.00 179.25 179.89 3hx5 h GLU 57 N 0.42 0.00 -0.11 0.00 4.57 0.28 -2.90 114.58 116.83 3hx5 h GLU 57 Ca 0.09 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 3hx5 h GLU 57 Cb 0.33 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.91 3hx5 h GLU 57 CO 0.01 0.63 0.04 0.93 -1.18 0.00 0.00 179.01 179.44 3hx5 h GLU 58 N 0.00 0.17 -0.11 1.92 5.08 0.02 -1.45 114.58 120.21 3hx5 h GLU 58 Ca -0.10 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 3hx5 h GLU 58 Cb 1.70 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.91 3hx5 h GLU 58 CO 0.09 0.30 -0.27 0.87 -1.00 0.00 0.00 179.01 179.00 3hx5 h LYS 59 N 0.01 0.20 -0.65 2.33 1.79 -1.35 -0.07 116.57 118.83 3hx5 h LYS 59 Ca 0.04 -0.07 -0.06 0.00 -2.18 0.00 0.00 60.65 58.38 3hx5 h LYS 59 Cb 0.20 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.81 3hx5 h LYS 59 CO -0.00 0.47 0.18 -0.09 -1.08 0.00 0.00 179.45 178.92 3hx5 h ARG 60 N 0.18 1.00 -0.37 3.15 2.43 -1.25 -1.21 114.38 118.32 3hx5 h ARG 60 Ca 0.03 -0.21 -0.09 0.00 -0.81 0.00 0.00 59.98 58.89 3hx5 h ARG 60 Cb 0.58 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3hx5 h ARG 60 CO 0.04 0.88 -0.14 0.93 -1.51 0.00 0.00 179.97 180.17 3hx5 h GLU 61 N 0.96 0.74 -0.11 0.20 5.08 -0.50 -2.58 114.58 118.37 3hx5 h GLU 61 Ca 0.21 -0.31 0.04 0.00 -1.00 0.00 0.00 59.36 58.31 3hx5 h GLU 61 Cb 0.31 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 3hx5 h GLU 61 CO -0.00 0.91 -0.27 0.78 -1.00 0.00 0.00 179.01 179.43 3hx5 h GLY 62 N 0.53 -0.34 2.00 -3.84 0.00 -0.18 0.11 103.07 101.35 3hx5 h GLY 62 Ca 0.09 0.33 -0.09 0.00 0.00 0.00 0.00 47.33 47.66 3hx5 h GLY 62 CO 0.05 -0.21 -0.41 0.10 0.00 0.00 0.00 176.54 176.07 3hx5 h TYR 63 N -0.36 0.00 0.00 5.60 -0.00 -1.30 -1.85 116.97 119.07 3hx5 h TYR 63 Ca 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 58.75 3hx5 h TYR 63 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.22 3hx5 h TYR 63 CO -0.36 0.41 -0.35 0.93 -0.00 0.00 0.00 178.16 178.79 3hx5 h GLU 64 N 0.00 0.00 -0.03 0.10 5.08 -0.96 -1.09 114.58 117.67 3hx5 h GLU 64 Ca -0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 3hx5 h GLU 64 Cb 0.82 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.08 3hx5 h GLU 64 CO 0.05 0.35 -0.37 -0.09 -1.00 0.00 0.00 179.01 177.95 3hx5 h ARG 65 N 0.00 0.31 -0.65 2.33 2.43 -0.14 -2.65 114.38 116.00 3hx5 h ARG 65 Ca -0.00 -0.29 -0.01 0.00 -0.81 0.00 0.00 59.98 58.87 3hx5 h ARG 65 Cb 0.77 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.36 3hx5 h ARG 65 CO 0.05 0.96 0.37 -0.07 -1.51 0.00 0.00 179.97 179.77 3hx5 h LEU 66 N -0.24 0.80 -1.28 3.80 3.38 -1.14 -1.91 115.31 118.72 3hx5 h LEU 66 Ca -0.04 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 3hx5 h LEU 66 Cb 1.06 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 3hx5 h LEU 66 CO 0.07 0.65 -0.26 -0.07 0.09 0.00 0.00 178.44 178.92 3hx5 h LEU 67 N 0.89 0.15 -0.24 1.67 3.38 -1.27 -1.25 115.31 118.64 3hx5 h LEU 67 Ca 0.23 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 58.05 3hx5 h LEU 67 Cb 0.01 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3hx5 h LEU 67 CO -0.04 0.42 -0.27 0.50 0.09 0.00 0.00 178.44 179.14 3hx5 h LYS 68 N 0.14 0.60 -0.43 1.13 1.63 -1.07 -2.97 116.57 115.61 3hx5 h LYS 68 Ca 0.02 -0.33 -0.11 0.00 -0.85 0.00 0.00 60.65 59.38 3hx5 h LYS 68 Cb 0.54 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.18 3hx5 h LYS 68 CO 0.04 0.93 -0.17 1.98 -3.45 0.00 0.00 179.45 178.78 3hx5 h MET 69 N 0.30 0.82 -0.00 1.90 4.05 -1.16 -2.75 114.93 118.10 3hx5 h MET 69 Ca 0.03 -0.31 0.03 0.00 -0.28 0.00 0.00 59.70 59.17 3hx5 h MET 69 Cb 0.84 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.55 3hx5 h MET 69 CO 0.07 0.93 -0.18 0.37 0.23 0.00 0.00 176.91 178.33 3hx5 h GLN 70 N 0.73 -0.28 0.00 0.39 5.75 -1.20 -1.16 115.11 119.34 3hx5 h GLN 70 Ca 0.11 0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.60 3hx5 h GLN 70 Cb 0.68 0.06 -0.00 0.00 1.07 0.00 0.00 27.48 29.29 3hx5 h GLN 70 CO 0.05 -0.19 -0.15 -0.91 -2.65 0.00 0.00 178.83 174.98 3hx5 h ASN 71 N -0.29 0.00 0.29 -0.69 4.21 -1.46 -2.33 115.58 115.31 3hx5 h ASN 71 Ca 0.06 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 57.39 3hx5 h ASN 71 Cb 0.37 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.56 3hx5 h ASN 71 CO -0.17 0.15 -0.73 1.56 -1.29 0.00 0.00 177.43 176.95 3hx5 h GLN 72 N 0.00 0.37 0.00 0.81 4.20 -1.08 -3.09 115.11 116.33 3hx5 h GLN 72 Ca -0.00 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.40 3hx5 h GLN 72 Cb 0.29 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.13 3hx5 h GLN 72 CO 0.02 0.95 0.00 0.00 -0.67 0.00 0.00 178.83 179.13 3hx5 h ARG 73 N 0.25 0.00 0.00 1.46 2.47 -0.73 -3.47 114.38 114.36 3hx5 h ARG 73 Ca -0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 3hx5 h ARG 73 Cb 1.30 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.62 3hx5 h ARG 73 CO 0.12 0.00 0.00 0.41 0.56 0.00 0.00 179.97 181.06 3hx5 n GLY 74 N 0.90 2.21 3.29 0.04 0.00 -0.96 -4.09 105.19 106.57 3hx5 n GLY 74 Ca 0.04 0.00 -0.30 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 -2.42 1.41 -0.05 -0.02 0.00 -0.94 -4.61 107.32 100.68 3hx5 s GLY 75 Ca 0.00 -0.67 0.04 0.00 0.00 0.00 0.00 44.72 44.09 3hx5 s GLY 75 CO 0.00 0.31 -0.17 0.50 0.00 0.00 0.00 173.10 173.74 3hx5 s ARG 76 N -4.90 1.93 0.01 2.90 1.81 -1.26 -4.42 118.95 115.01 3hx5 s ARG 76 Ca 0.68 -0.61 -0.30 0.00 -1.72 0.00 0.00 55.73 53.78 3hx5 s ARG 76 Cb -0.16 -1.62 -0.04 0.00 -0.45 0.00 0.00 34.95 32.67 3hx5 s ARG 76 CO 0.60 0.20 1.20 0.00 -0.68 0.00 0.00 175.30 176.61 3hx5 s ALA 77 N 0.20 3.43 -0.16 2.13 0.00 -1.26 -4.94 121.76 121.16 3hx5 s ALA 77 Ca -0.08 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.62 3hx5 s ALA 77 Cb -0.13 -3.48 0.03 0.00 0.00 0.00 0.00 23.12 19.54 3hx5 s ALA 77 CO 0.03 -0.58 -0.13 -0.51 0.00 0.00 0.00 175.76 174.57 3hx5 s LEU 78 N 1.61 1.77 -0.17 0.00 1.43 -1.26 -5.13 118.68 116.93 3hx5 s LEU 78 Ca 0.57 -0.55 -0.09 0.00 -1.03 0.00 0.00 54.13 53.03 3hx5 s LEU 78 Cb -0.27 -1.17 -0.05 0.00 0.03 0.00 0.00 46.19 44.73 3hx5 s LEU 78 CO 0.26 -0.08 0.13 -0.36 0.23 0.00 0.00 176.35 176.54 3hx5 s PHE 79 N 1.48 3.47 0.41 0.29 0.08 -1.26 -4.88 117.98 117.57 3hx5 s PHE 79 Ca 0.04 0.39 0.07 0.00 0.12 0.00 0.00 56.93 57.55 3hx5 s PHE 79 Cb -0.13 -2.09 -0.07 0.00 -0.57 0.00 0.00 43.02 40.16 3hx5 s PHE 79 CO -0.10 0.43 0.05 -0.65 -0.10 0.00 0.00 175.22 174.86 3hx5 s GLN 80 N -0.09 2.03 0.34 0.44 -1.52 -1.26 -5.11 119.66 114.49 3hx5 s GLN 80 Ca 0.10 -2.02 -0.29 0.00 -1.95 0.00 0.00 55.36 51.20 3hx5 s GLN 80 Cb -0.11 -1.74 -0.11 0.00 -0.22 0.00 0.00 33.01 30.83 3hx5 s GLN 80 CO -0.00 -0.06 1.40 -0.51 -0.25 0.00 0.00 175.29 175.87 3hx5 s ASP 81 N -3.76 6.58 -0.45 5.90 -0.00 -1.26 -4.97 116.67 118.70 3hx5 s ASP 81 Ca 0.37 2.84 -0.21 0.00 -0.00 0.00 0.00 52.55 55.54 3hx5 s ASP 81 Cb 0.08 -2.65 0.03 0.00 -0.00 0.00 0.00 42.92 40.38 3hx5 s ASP 81 CO 0.19 -0.70 0.66 -0.63 -0.00 0.00 0.00 175.17 174.70 3hx5 s ILE 82 N -0.96 4.80 0.28 0.77 1.01 -1.26 -5.03 121.20 120.81 3hx5 s ILE 82 Ca 0.52 0.05 -0.30 0.00 0.00 0.00 0.00 60.65 60.92 3hx5 s ILE 82 Cb -0.43 -4.24 -0.11 0.00 0.01 0.00 0.00 42.46 37.69 3hx5 s ILE 82 CO 0.56 -0.66 1.58 -0.54 0.00 0.00 0.00 174.94 175.87 3hx5 s LYS 83 N 2.88 4.14 0.80 2.79 1.02 -1.26 -4.98 119.74 125.13 3hx5 s LYS 83 Ca 0.22 2.54 -0.11 0.00 0.02 0.00 0.00 55.97 58.64 3hx5 s LYS 83 Cb -0.15 -3.04 0.08 0.00 -0.52 0.00 0.00 37.83 34.20 3hx5 s LYS 83 CO 0.18 -0.61 1.11 -1.59 -0.92 0.00 0.00 175.35 173.52 3hx5 s LYS 84 N -0.40 1.98 0.70 1.68 -2.85 -1.26 -4.88 119.74 114.71 3hx5 s LYS 84 Ca 0.63 1.29 -0.16 0.00 -1.00 0.00 0.00 55.97 56.73 3hx5 s LYS 84 Cb -0.47 -1.86 -0.02 0.00 -2.06 0.00 0.00 37.83 33.42 3hx5 s LYS 84 CO 0.46 -1.87 0.73 -2.30 0.10 0.00 0.00 175.35 172.47 3hx5 n PRO 85 N -3.61 0.43 0.21 1.78 -0.02 -1.26 -4.89 135.00 127.63 3hx5 n PRO 85 Ca 0.10 0.19 0.15 0.00 -2.02 0.00 0.00 63.50 61.92 3hx5 n PRO 85 Cb 0.53 -2.00 0.69 0.00 -0.02 0.00 0.00 33.50 32.70 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 -0.23 1.00 -2.62 3.55 0.00 -1.97 -3.44 119.26 115.55 3hx5 h ALA 86 Ca -0.46 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.27 3hx5 h ALA 86 Cb 1.35 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 19.00 3hx5 h ALA 86 CO 0.45 0.00 -0.49 -1.21 0.00 0.00 0.00 179.25 178.00 3hx5 s GLU 87 N -3.60 1.22 0.00 0.00 0.41 -1.26 -5.03 118.70 110.43 3hx5 s GLU 87 Ca -0.00 -1.47 0.04 0.00 -0.41 0.00 0.00 54.97 53.12 3hx5 s GLU 87 Cb 0.09 0.32 -0.04 0.00 -1.78 0.00 0.00 34.13 32.72 3hx5 s GLU 87 CO 0.36 -0.42 0.17 -0.25 -0.49 0.00 0.00 175.26 174.63 3hx5 n ASP 88 N -0.26 0.20 -3.75 -0.19 8.00 -1.26 -4.96 116.55 114.32 3hx5 n ASP 88 Ca -0.01 -0.60 -0.13 0.00 0.71 0.00 0.00 54.79 54.76 3hx5 n ASP 88 Cb 0.64 0.98 -0.14 0.00 -0.02 0.00 0.00 41.12 42.59 3hx5 n ASP 88 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3hx5 s GLU 89 N -1.34 0.15 0.00 -1.24 -6.30 -1.26 -5.03 118.70 103.68 3hx5 s GLU 89 Ca 0.01 0.39 0.16 0.00 -2.50 0.00 0.00 54.97 53.04 3hx5 s GLU 89 Cb 0.03 -0.11 0.38 0.00 0.00 0.00 0.00 34.13 34.43 3hx5 s GLU 89 CO 0.15 -0.14 1.29 0.91 0.02 0.00 0.00 175.26 177.50 3hx5 n TRP 90 N 3.97 0.52 -3.26 5.30 7.02 -1.26 -5.09 117.44 124.64 3hx5 n TRP 90 Ca -0.23 -0.38 0.00 0.00 -1.02 0.00 0.00 57.50 55.87 3hx5 n TRP 90 Cb 0.53 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 29.41 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 0.99 1.64 3.95 6.99 0.00 -1.26 -3.81 105.19 113.69 3hx5 n GLY 91 Ca 0.15 -0.60 -0.24 0.00 0.00 0.00 0.00 46.02 45.33 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 2.27 0.13 1.61 1.02 -1.26 -4.91 119.74 118.60 3hx5 s LYS 92 Ca 0.00 -0.49 -0.21 0.00 0.02 0.00 0.00 55.97 55.29 3hx5 s LYS 92 Cb 0.00 -2.29 -0.01 0.00 -0.52 0.00 0.00 37.83 35.02 3hx5 s LYS 92 CO 0.00 -1.08 1.67 1.15 -0.92 0.00 0.00 175.35 176.17 3hx5 h THR 93 N -0.37 0.63 -0.04 2.17 2.02 -1.99 -1.85 112.91 113.48 3hx5 h THR 93 Ca -0.43 0.00 0.01 0.00 0.77 0.00 0.00 66.41 66.76 3hx5 h THR 93 Cb 1.31 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 68.34 3hx5 h THR 93 CO 0.56 0.00 0.06 -0.65 0.37 0.00 0.00 175.52 175.86 3hx5 h PRO 94 N -0.13 0.00 0.09 6.66 0.11 -1.95 -0.90 132.00 135.88 3hx5 h PRO 94 Ca 0.11 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.06 3hx5 h PRO 94 Cb 0.29 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.42 3hx5 h PRO 94 CO -0.26 0.00 -0.65 -0.44 -0.21 0.00 0.00 178.00 176.44 3hx5 h ASP 95 N 0.00 0.41 -0.16 -2.05 3.45 -1.69 -2.93 116.42 113.45 3hx5 h ASP 95 Ca 0.02 -0.91 -0.03 0.00 0.43 0.00 0.00 57.03 56.54 3hx5 h ASP 95 Cb 0.14 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 38.77 3hx5 h ASP 95 CO -0.00 1.29 0.03 0.00 -1.57 0.00 0.00 179.24 179.00 3hx5 h ALA 96 N 0.13 1.61 -0.08 3.45 0.00 -0.53 -1.72 119.26 122.12 3hx5 h ALA 96 Ca -0.11 -0.12 -0.23 0.00 0.00 0.00 0.00 54.91 54.45 3hx5 h ALA 96 Cb 1.47 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.17 3hx5 h ALA 96 CO 0.12 0.29 -0.83 1.98 0.00 0.00 0.00 179.25 180.82 3hx5 h MET 97 N 0.35 0.71 -0.05 0.00 -1.53 -1.29 -2.49 114.93 110.62 3hx5 h MET 97 Ca 0.08 -0.65 -0.06 0.00 -3.44 0.00 0.00 59.70 55.63 3hx5 h MET 97 Cb 0.18 0.16 -0.01 0.00 -0.55 0.00 0.00 31.60 31.38 3hx5 h MET 97 CO 0.00 1.25 -0.27 0.87 0.14 0.00 0.00 176.91 178.90 3hx5 h LYS 98 N 0.39 0.09 -0.19 0.39 1.57 -1.28 0.11 116.57 117.65 3hx5 h LYS 98 Ca -0.08 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 3hx5 h LYS 98 Cb 1.48 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.78 3hx5 h LYS 98 CO 0.17 0.35 -0.20 0.00 -0.57 0.00 0.00 179.45 179.20 3hx5 h ALA 99 N 1.65 0.28 -0.43 3.86 0.00 -1.29 -1.55 119.26 121.78 3hx5 h ALA 99 Ca 0.01 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 3hx5 h ALA 99 Cb 0.52 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3hx5 h ALA 99 CO 0.04 0.22 -0.20 0.00 0.00 0.00 0.00 179.25 179.30 3hx5 h ALA 100 N 0.64 0.83 -0.86 0.00 0.00 -1.19 -1.28 119.26 117.40 3hx5 h ALA 100 Ca 0.03 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.61 3hx5 h ALA 100 Cb 0.75 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 3hx5 h ALA 100 CO 0.05 0.65 0.55 1.98 0.00 0.00 0.00 179.25 182.47 3hx5 h MET 101 N 0.75 1.01 0.01 0.00 -1.53 -0.74 -0.55 114.93 113.88 3hx5 h MET 101 Ca 0.10 -0.06 -0.00 0.00 -3.44 0.00 0.00 59.70 56.30 3hx5 h MET 101 Cb 0.73 -0.23 0.00 0.00 -0.55 0.00 0.00 31.60 31.56 3hx5 h MET 101 CO 0.06 0.67 -0.01 0.00 0.14 0.00 0.00 176.91 177.77 3hx5 h ALA 102 N 1.37 -0.02 -0.55 0.39 0.00 -0.97 -2.44 119.26 117.04 3hx5 h ALA 102 Ca 0.35 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.19 3hx5 h ALA 102 Cb 0.07 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3hx5 h ALA 102 CO -0.14 -0.34 0.37 1.25 0.00 0.00 0.00 179.25 180.40 3hx5 h LEU 103 N -0.36 0.29 0.24 0.00 5.85 -0.73 -0.96 115.31 119.64 3hx5 h LEU 103 Ca -0.00 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3hx5 h LEU 103 Cb 0.35 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.33 3hx5 h LEU 103 CO 0.00 0.17 -0.12 -0.33 -0.34 0.00 0.00 178.44 177.83 3hx5 h GLU 104 N 0.32 -0.31 -0.86 1.25 4.39 -1.04 -1.38 114.58 116.94 3hx5 h GLU 104 Ca 0.25 0.02 0.22 0.00 0.34 0.00 0.00 59.36 60.19 3hx5 h GLU 104 Cb 0.58 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.25 3hx5 h GLU 104 CO -0.06 0.04 0.59 0.87 -1.16 0.00 0.00 179.01 179.29 3hx5 h LYS 105 N -0.90 0.23 -0.01 2.33 1.57 -0.96 0.81 116.57 119.65 3hx5 h LYS 105 Ca -0.03 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3hx5 h LYS 105 Cb 0.50 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 3hx5 h LYS 105 CO 0.05 0.15 -0.00 -0.22 -0.57 0.00 0.00 179.45 178.87 3hx5 h LYS 106 N 0.24 0.01 -0.27 3.15 3.64 -1.12 -0.57 116.57 121.65 3hx5 h LYS 106 Ca 0.43 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.73 3hx5 h LYS 106 Cb 1.32 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.12 3hx5 h LYS 106 CO -0.11 0.32 -0.17 -0.07 -2.27 0.00 0.00 179.45 177.16 3hx5 h LEU 107 N -0.30 0.46 0.14 5.20 3.38 0.55 -2.26 115.31 122.49 3hx5 h LEU 107 Ca 0.00 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3hx5 h LEU 107 Cb 0.32 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3hx5 h LEU 107 CO 0.00 0.65 -0.07 -1.13 0.09 0.00 0.00 178.44 177.99 3hx5 h ASN 108 N 0.43 -0.16 -0.75 -0.43 -1.24 0.69 -1.44 115.58 112.68 3hx5 h ASN 108 Ca 0.08 -0.05 -0.02 0.00 0.71 0.00 0.00 56.30 57.02 3hx5 h ASN 108 Cb 0.55 0.04 -0.04 0.00 0.73 0.00 0.00 38.32 39.60 3hx5 h ASN 108 CO 0.04 -0.06 0.41 -0.61 -1.29 0.00 0.00 177.43 175.92 3hx5 h GLN 109 N -0.25 1.06 -0.39 6.67 5.75 -1.01 -0.73 115.11 126.21 3hx5 h GLN 109 Ca -0.02 -0.12 -0.02 0.00 -0.15 0.00 0.00 58.65 58.34 3hx5 h GLN 109 Cb 0.20 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.52 3hx5 h GLN 109 CO 0.03 0.78 0.15 0.00 -2.65 0.00 0.00 178.83 177.15 3hx5 h ALA 110 N 1.39 1.54 0.31 3.38 0.00 -1.12 -0.53 119.26 124.22 3hx5 h ALA 110 Ca 0.27 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3hx5 h ALA 110 Cb 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3hx5 h ALA 110 CO -0.04 0.36 -0.15 -0.07 0.00 0.00 0.00 179.25 179.34 3hx5 h LEU 111 N 0.55 -0.36 -1.58 0.00 3.38 -0.13 -2.02 115.31 115.16 3hx5 h LEU 111 Ca 0.14 -0.18 0.17 0.00 0.09 0.00 0.00 57.88 58.09 3hx5 h LEU 111 Cb 0.12 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 3hx5 h LEU 111 CO -0.01 0.08 0.54 -0.07 0.09 0.00 0.00 178.44 179.07 3hx5 h LEU 112 N -0.90 0.38 -0.44 1.67 3.38 -0.95 0.21 115.31 118.66 3hx5 h LEU 112 Ca -0.04 0.03 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 3hx5 h LEU 112 Cb 0.52 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3hx5 h LEU 112 CO 0.07 0.18 -0.71 0.44 0.09 0.00 0.00 178.44 178.51 3hx5 h ASP 113 N 0.39 0.44 0.47 -0.43 3.45 -1.08 -0.59 116.42 119.08 3hx5 h ASP 113 Ca 0.41 -0.29 -0.12 0.00 0.43 0.00 0.00 57.03 57.46 3hx5 h ASP 113 Cb 1.01 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 39.63 3hx5 h ASP 113 CO -0.13 1.01 -0.54 0.25 -1.57 0.00 0.00 179.24 178.26 3hx5 h LEU 114 N 0.26 0.08 -0.05 1.55 5.85 0.08 -1.58 115.31 121.50 3hx5 h LEU 114 Ca -0.03 -0.04 -0.25 0.00 0.84 0.00 0.00 57.88 58.41 3hx5 h LEU 114 Cb 1.28 -0.02 0.02 0.00 0.37 0.00 0.00 40.66 42.30 3hx5 h LEU 114 CO 0.12 0.60 -0.94 -0.74 -0.34 0.00 0.00 178.44 177.14 3hx5 h HIS 115 N 0.05 1.04 -0.89 1.25 2.76 -0.78 -2.34 115.15 116.25 3hx5 h HIS 115 Ca -0.00 -0.53 -0.02 0.00 -2.20 0.00 0.00 60.37 57.62 3hx5 h HIS 115 Cb 0.97 -0.13 -0.04 0.00 1.55 0.00 0.00 27.41 29.75 3hx5 h HIS 115 CO 0.01 1.37 0.49 0.00 -1.30 0.00 0.00 177.93 178.49 3hx5 h ALA 116 N 0.44 1.14 -0.53 5.26 0.00 -0.91 -0.71 119.26 123.96 3hx5 h ALA 116 Ca -0.10 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 3hx5 h ALA 116 Cb 1.59 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3hx5 h ALA 116 CO 0.19 0.65 -0.02 1.25 0.00 0.00 0.00 179.25 181.32 3hx5 h LEU 117 N 1.25 0.89 -1.10 0.00 5.85 -1.30 -2.58 115.31 118.31 3hx5 h LEU 117 Ca 0.31 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 3hx5 h LEU 117 Cb 0.03 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 3hx5 h LEU 117 CO -0.05 0.96 -0.12 1.23 -0.34 0.00 0.00 178.44 180.11 3hx5 h GLY 118 N 0.99 0.53 0.83 3.75 0.00 -0.74 -1.17 103.07 107.27 3hx5 h GLY 118 Ca 0.15 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 3hx5 h GLY 118 CO 0.03 0.34 0.02 1.76 0.00 0.00 0.00 176.54 178.68 3hx5 h SER 119 N 0.45 0.35 -0.51 0.19 0.02 -0.89 -0.47 113.55 112.70 3hx5 h SER 119 Ca 0.08 -0.29 -0.01 0.00 -0.84 0.00 0.00 61.79 60.74 3hx5 h SER 119 Cb 0.49 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 3hx5 h SER 119 CO 0.03 0.55 0.28 0.00 -1.14 0.00 0.00 176.83 176.55 3hx5 h ALA 120 N 0.81 0.65 0.00 3.77 0.00 -1.26 -2.04 119.26 121.20 3hx5 h ALA 120 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hx5 h ALA 120 Cb 0.36 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3hx5 h ALA 120 CO 0.01 0.17 0.00 0.54 0.00 0.00 0.00 179.25 179.97 3hx5 n ARG 121 N -4.65 0.97 -3.65 0.00 5.12 -0.46 -4.92 116.66 109.07 3hx5 n ARG 121 Ca 0.02 0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 55.68 3hx5 n ARG 121 Cb 0.08 -1.37 0.03 0.00 -1.16 0.00 0.00 32.46 30.03 3hx5 n ARG 121 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3hx5 n THR 122 N -0.87 -5.72 -3.71 0.55 -1.04 -0.67 -4.95 114.28 97.87 3hx5 n THR 122 Ca 0.17 -0.62 -0.29 0.00 -2.04 0.00 0.00 64.05 61.27 3hx5 n THR 122 Cb 0.08 -4.26 -0.12 0.00 -1.82 0.00 0.00 70.33 64.20 3hx5 n THR 122 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3hx5 s ASP 123 N -3.30 3.58 0.47 8.00 -1.08 -0.27 -4.98 116.67 119.09 3hx5 s ASP 123 Ca 0.31 -2.99 0.24 0.00 -0.52 0.00 0.00 52.55 49.58 3hx5 s ASP 123 Cb -0.12 -1.10 1.13 0.00 -1.46 0.00 0.00 42.92 41.37 3hx5 s ASP 123 CO 0.86 -0.21 1.94 1.55 0.52 0.00 0.00 175.17 179.83 3hx5 h PRO 124 N 6.25 0.00 -0.40 4.34 0.13 -1.93 -2.87 132.00 137.51 3hx5 h PRO 124 Ca 0.07 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.16 3hx5 h PRO 124 Cb 0.88 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.00 3hx5 h PRO 124 CO 0.53 0.21 0.13 1.25 -0.23 0.00 0.00 178.00 179.88 3hx5 h HIS 125 N 0.00 0.65 -0.25 1.56 2.76 -1.97 -0.05 115.15 117.85 3hx5 h HIS 125 Ca -0.00 -0.06 -0.13 0.00 -2.20 0.00 0.00 60.37 57.97 3hx5 h HIS 125 Cb 0.55 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.32 3hx5 h HIS 125 CO 0.00 0.60 -0.40 1.25 -1.30 0.00 0.00 177.93 178.08 3hx5 h LEU 126 N 0.51 0.63 0.20 0.26 5.85 -1.95 0.03 115.31 120.83 3hx5 h LEU 126 Ca 0.13 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 3hx5 h LEU 126 Cb 0.25 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.11 3hx5 h LEU 126 CO -0.00 0.96 -0.10 0.00 -0.34 0.00 0.00 178.44 178.96 3hx5 h ASP 128 N -0.34 1.05 -0.78 0.00 3.58 -0.98 -0.70 116.42 118.25 3hx5 h ASP 128 Ca -0.03 -0.33 0.15 0.00 0.42 0.00 0.00 57.03 57.25 3hx5 h ASP 128 Cb 0.27 -0.28 -0.05 0.00 1.72 0.00 0.00 39.33 40.98 3hx5 h ASP 128 CO 0.05 1.13 0.52 0.15 -2.88 0.00 0.00 179.24 178.20 3hx5 h PHE 129 N 0.95 0.54 0.09 0.28 3.04 -0.87 -0.58 116.94 120.39 3hx5 h PHE 129 Ca 0.16 0.02 -0.31 0.00 3.98 0.00 0.00 57.97 61.82 3hx5 h PHE 129 Cb 0.62 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 38.94 3hx5 h PHE 129 CO 0.04 0.20 -1.61 -0.07 -2.02 0.00 0.00 178.31 174.86 3hx5 h LEU 130 N 0.46 0.30 -1.45 0.59 3.38 -1.08 -3.12 115.31 114.39 3hx5 h LEU 130 Ca 0.39 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3hx5 h LEU 130 Cb 0.84 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 3hx5 h LEU 130 CO -0.13 1.40 0.24 -0.33 0.09 0.00 0.00 178.44 179.71 3hx5 h GLU 131 N 0.05 0.61 0.00 1.13 5.08 -0.15 0.10 114.58 121.41 3hx5 h GLU 131 Ca -0.27 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 3hx5 h GLU 131 Cb 2.01 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 31.13 3hx5 h GLU 131 CO 0.13 0.46 -0.03 1.15 -1.00 0.00 0.00 179.01 179.72 3hx5 h THR 132 N 0.62 0.00 -0.00 1.13 2.02 -1.27 -3.39 112.91 112.03 3hx5 h THR 132 Ca 0.16 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.81 3hx5 h THR 132 Cb 0.02 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.43 3hx5 h THR 132 CO -0.03 0.00 -0.36 1.41 0.37 0.00 0.00 175.52 176.92 3hx5 n HIS 133 N -3.49 0.00 0.05 3.16 8.25 -1.18 -4.72 115.22 117.29 3hx5 n HIS 133 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3hx5 n HIS 133 Cb 0.01 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 30.91 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 -1.16 -0.43 -0.24 4.41 3.72 -0.82 -4.73 117.46 118.22 3hx5 n PHE 134 Ca 0.09 0.08 -0.06 0.00 -0.05 0.00 0.00 57.45 57.50 3hx5 n PHE 134 Cb 0.33 0.12 -0.01 0.00 -0.94 0.00 0.00 39.48 38.99 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 -1.39 -0.56 4.37 3.38 -1.21 -2.15 115.31 117.75 3hx5 h LEU 135 Ca 0.00 0.25 -0.16 0.00 0.09 0.00 0.00 57.88 58.06 3hx5 h LEU 135 Cb 0.20 0.66 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 3hx5 h LEU 135 CO 0.00 -0.31 -0.63 -0.78 0.09 0.00 0.00 178.44 176.80 3hx5 h ASP 136 N -0.16 0.39 -0.82 -0.43 -0.00 -1.83 -2.79 116.42 110.77 3hx5 h ASP 136 Ca 0.22 -0.23 0.07 0.00 -0.00 0.00 0.00 57.03 57.09 3hx5 h ASP 136 Cb 0.56 -0.11 -0.06 0.00 -0.00 0.00 0.00 39.33 39.71 3hx5 h ASP 136 CO -0.74 0.92 0.50 -0.33 -0.00 0.00 0.00 179.24 179.59 3hx5 h GLU 137 N 0.25 0.87 -0.30 0.28 4.39 -1.72 -1.77 114.58 116.58 3hx5 h GLU 137 Ca -0.01 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.55 3hx5 h GLU 137 Cb 1.16 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.61 3hx5 h GLU 137 CO 0.10 0.57 -0.15 0.93 -1.16 0.00 0.00 179.01 179.31 3hx5 h GLU 138 N 0.89 0.63 -0.41 2.33 4.39 -1.31 -1.63 114.58 119.48 3hx5 h GLU 138 Ca 0.37 -0.28 -0.04 0.00 0.34 0.00 0.00 59.36 59.75 3hx5 h GLU 138 Cb 0.21 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 3hx5 h GLU 138 CO -0.19 0.86 0.07 0.28 -1.16 0.00 0.00 179.01 178.87 3hx5 h VAL 139 N 0.38 1.20 -0.05 3.13 2.07 -1.19 -0.94 116.25 120.84 3hx5 h VAL 139 Ca 0.07 -0.72 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 3hx5 h VAL 139 Cb 0.68 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3hx5 h VAL 139 CO 0.05 0.26 -0.14 0.11 0.02 0.00 0.00 177.57 177.87 3hx5 h LYS 140 N 0.60 0.18 -0.76 1.57 1.57 -1.28 -2.41 116.57 116.03 3hx5 h LYS 140 Ca 0.13 -0.13 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 3hx5 h LYS 140 Cb 0.27 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.55 3hx5 h LYS 140 CO 0.00 0.75 0.46 1.25 -0.57 0.00 0.00 179.45 181.34 3hx5 h LEU 141 N -0.36 0.74 -0.42 2.94 5.85 -1.13 -0.87 115.31 122.05 3hx5 h LEU 141 Ca -0.00 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 3hx5 h LEU 141 Cb 0.76 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 3hx5 h LEU 141 CO 0.03 0.49 0.03 0.40 -0.34 0.00 0.00 178.44 179.05 3hx5 h ILE 142 N 0.87 1.25 -0.08 4.05 2.04 -1.22 -1.26 117.51 123.16 3hx5 h ILE 142 Ca 0.32 -0.96 -0.03 0.00 1.00 0.00 0.00 64.86 65.20 3hx5 h ILE 142 Cb 0.10 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 3hx5 h ILE 142 CO -0.15 0.33 -0.07 0.50 0.00 0.00 0.00 178.15 178.76 3hx5 h LYS 143 N 0.57 0.12 -0.09 2.37 1.63 -0.90 0.83 116.57 121.10 3hx5 h LYS 143 Ca 0.12 -0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 59.83 3hx5 h LYS 143 Cb 0.43 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.04 3hx5 h LYS 143 CO 0.01 0.20 -0.23 -0.22 -3.45 0.00 0.00 179.45 175.77 3hx5 h LYS 144 N 0.12 0.31 -0.18 1.90 3.64 -0.78 -1.96 116.57 119.63 3hx5 h LYS 144 Ca 0.03 -0.22 -0.05 0.00 -1.27 0.00 0.00 60.65 59.14 3hx5 h LYS 144 Cb 0.21 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3hx5 h LYS 144 CO 0.01 0.83 -0.12 0.52 -2.27 0.00 0.00 179.45 178.42 3hx5 h MET 145 N -0.15 0.28 -0.27 1.90 2.86 -0.69 -0.67 114.93 118.19 3hx5 h MET 145 Ca -0.00 -0.06 -0.14 0.00 -2.06 0.00 0.00 59.70 57.43 3hx5 h MET 145 Cb 0.84 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 3hx5 h MET 145 CO 0.05 0.40 -0.40 0.78 1.06 0.00 0.00 176.91 178.80 3hx5 h GLY 146 N 0.76 0.71 0.99 8.32 0.00 -0.78 -1.77 103.07 111.29 3hx5 h GLY 146 Ca 0.05 -0.71 -0.11 0.00 0.00 0.00 0.00 47.33 46.57 3hx5 h GLY 146 CO 0.02 0.64 -0.19 -0.55 0.00 0.00 0.00 176.54 176.46 3hx5 h ASP 147 N 0.53 0.79 -0.27 0.19 3.32 -0.59 -2.80 116.42 117.59 3hx5 h ASP 147 Ca 0.04 -0.41 0.02 0.00 0.02 0.00 0.00 57.03 56.71 3hx5 h ASP 147 Cb 0.93 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.23 3hx5 h ASP 147 CO 0.08 1.03 0.12 0.45 -1.72 0.00 0.00 179.24 179.20 3hx5 h HIS 148 N 0.55 0.21 -0.83 4.55 3.86 -1.02 -1.67 115.15 120.81 3hx5 h HIS 148 Ca 0.08 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.32 3hx5 h HIS 148 Cb 0.74 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 29.11 3hx5 h HIS 148 CO 0.06 0.11 0.54 -0.07 0.86 0.00 0.00 177.93 179.43 3hx5 h LEU 149 N 0.25 0.92 -1.08 2.43 3.38 -1.28 0.48 115.31 120.41 3hx5 h LEU 149 Ca 0.12 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 3hx5 h LEU 149 Cb 0.06 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3hx5 h LEU 149 CO -0.10 0.65 -0.04 0.74 0.09 0.00 0.00 178.44 179.78 3hx5 h THR 150 N 1.08 1.22 -0.17 0.22 2.02 -1.22 -0.43 112.91 115.64 3hx5 h THR 150 Ca 0.32 -0.93 -0.14 0.00 0.77 0.00 0.00 66.41 66.42 3hx5 h THR 150 Cb -0.07 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 3hx5 h THR 150 CO -0.09 0.32 -0.46 0.78 0.37 0.00 0.00 175.52 176.44 3hx5 h ASN 151 N 0.57 0.69 -0.43 4.18 2.35 -0.31 -2.19 115.58 120.44 3hx5 h ASN 151 Ca 0.11 -0.58 -0.03 0.00 -0.55 0.00 0.00 56.30 55.25 3hx5 h ASN 151 Cb 0.42 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 3hx5 h ASN 151 CO 0.02 1.15 0.17 -0.07 -1.65 0.00 0.00 177.43 177.05 3hx5 h LEU 152 N 0.26 0.59 -1.53 1.61 3.38 0.23 -2.14 115.31 117.72 3hx5 h LEU 152 Ca -0.01 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 3hx5 h LEU 152 Cb 1.07 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 3hx5 h LEU 152 CO 0.10 0.60 -0.22 -0.74 0.09 0.00 0.00 178.44 178.27 3hx5 h HIS 153 N 0.55 0.00 -0.43 1.13 2.76 -1.14 -2.71 115.15 115.32 3hx5 h HIS 153 Ca 0.14 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.19 3hx5 h HIS 153 Cb 0.19 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.14 3hx5 h HIS 153 CO 0.00 0.22 -0.24 -0.09 -1.30 0.00 0.00 177.93 176.53 3hx5 h ARG 154 N 0.00 0.89 -3.54 5.26 2.43 -0.76 -3.34 114.38 115.32 3hx5 h ARG 154 Ca -0.00 -0.38 -0.69 0.00 -0.81 0.00 0.00 59.98 58.10 3hx5 h ARG 154 Cb 0.53 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 3hx5 h ARG 154 CO 0.03 1.03 3.47 1.28 -1.51 0.00 0.00 179.97 184.26 3hx5 n LEU 155 N -4.10 7.73 0.00 3.80 4.77 -0.93 -5.10 117.00 123.17 3hx5 n LEU 155 Ca -0.00 -4.23 0.00 0.00 -0.03 0.00 0.00 56.01 51.75 3hx5 n LEU 155 Cb 0.46 -1.61 0.00 0.00 -2.33 0.00 0.00 43.42 39.94 3hx5 n LEU 155 CO 0.46 1.55 0.00 0.61 -1.33 0.00 0.00 177.39 178.68