#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 2.96 0.47 6.12 0.15 -1.26 -5.12 113.70 117.02 3hx5 s SER 2 Ca 0.00 -0.57 -0.24 0.00 0.70 0.00 0.00 55.95 55.84 3hx5 s SER 2 Cb 0.00 -0.26 -0.08 0.00 -1.71 0.00 0.00 66.02 63.97 3hx5 s SER 2 CO 0.00 0.23 1.34 -0.24 1.20 0.00 0.00 173.24 175.77 3hx5 n SER 3 N 1.80 2.81 0.00 5.45 2.88 -1.26 -4.92 113.62 120.38 3hx5 n SER 3 Ca -0.17 1.06 0.05 0.00 -1.33 0.00 0.00 58.87 58.49 3hx5 n SER 3 Cb 0.52 -1.56 0.23 0.00 -0.75 0.00 0.00 64.21 62.65 3hx5 n SER 3 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hx5 n GLN 4 N -0.38 0.02 0.00 -1.46 10.64 -1.26 -2.30 117.38 122.65 3hx5 n GLN 4 Ca 0.07 0.30 0.01 0.00 -1.83 0.00 0.00 57.00 55.55 3hx5 n GLN 4 Cb 0.42 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.30 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 -1.47 0.00 -1.88 -0.39 -5.35 -1.26 -5.04 119.36 103.97 3hx5 n ILE 5 Ca 0.03 -0.49 -0.42 0.00 -0.27 0.00 0.00 62.75 61.60 3hx5 n ILE 5 Cb 0.11 1.02 -0.03 0.00 -1.74 0.00 0.00 39.64 39.00 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 -0.50 4.19 -0.27 6.28 3.52 -0.97 -4.79 118.95 126.41 3hx5 s ARG 6 Ca 0.01 2.42 -0.08 0.00 -0.13 0.00 0.00 55.73 57.95 3hx5 s ARG 6 Cb 0.01 -3.21 0.13 0.00 -1.56 0.00 0.00 34.95 30.32 3hx5 s ARG 6 CO 0.03 -0.66 0.58 -1.14 -0.81 0.00 0.00 175.30 173.30 3hx5 s GLN 7 N 1.39 0.51 -1.50 5.12 0.74 -1.26 -4.91 119.66 119.74 3hx5 s GLN 7 Ca 0.72 1.29 0.00 0.00 0.05 0.00 0.00 55.36 57.42 3hx5 s GLN 7 Cb -0.45 0.68 0.00 0.00 1.10 0.00 0.00 33.01 34.34 3hx5 s GLN 7 CO 0.32 -0.26 0.00 -1.71 -0.55 0.00 0.00 175.29 173.09 3hx5 n ASN 8 N 5.43 -5.05 -4.15 6.67 5.15 -1.26 -4.97 115.26 117.08 3hx5 n ASN 8 Ca -0.10 0.02 -0.35 0.00 -0.60 0.00 0.00 54.58 53.55 3hx5 n ASN 8 Cb 0.49 -4.14 -0.13 0.00 -0.53 0.00 0.00 39.78 35.48 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 -2.84 3.42 0.27 1.20 5.04 -1.26 -4.82 117.35 118.35 3hx5 s TYR 9 Ca 0.00 -2.13 -0.30 0.00 -2.44 0.00 0.00 57.07 52.20 3hx5 s TYR 9 Cb 0.00 -2.58 -0.09 0.00 0.35 0.00 0.00 41.96 39.64 3hx5 s TYR 9 CO 0.00 -0.87 1.08 -1.54 -1.34 0.00 0.00 175.55 172.88 3hx5 s SER 10 N 1.44 7.31 0.46 4.32 1.04 -1.26 -4.91 113.70 122.11 3hx5 s SER 10 Ca 0.01 2.22 0.31 0.00 0.48 0.00 0.00 55.95 58.96 3hx5 s SER 10 Cb -0.21 -2.62 1.66 0.00 0.10 0.00 0.00 66.02 64.95 3hx5 s SER 10 CO -0.03 -0.11 1.93 0.71 0.98 0.00 0.00 173.24 176.73 3hx5 h THR 11 N 3.16 0.00 -0.13 2.02 1.35 -1.98 0.28 112.91 117.61 3hx5 h THR 11 Ca -0.46 0.00 -0.18 0.00 -0.55 0.00 0.00 66.41 65.22 3hx5 h THR 11 Cb 1.21 0.68 0.01 0.00 -1.73 0.00 0.00 68.15 68.32 3hx5 h THR 11 CO 0.68 0.00 -0.62 0.44 -0.25 0.00 0.00 175.52 175.76 3hx5 h ASP 12 N 0.00 0.77 -0.24 5.36 3.45 -1.99 -1.46 116.42 122.32 3hx5 h ASP 12 Ca 0.00 -0.63 -0.13 0.00 0.43 0.00 0.00 57.03 56.70 3hx5 h ASP 12 Cb 0.03 -0.23 -0.00 0.00 -0.56 0.00 0.00 39.33 38.57 3hx5 h ASP 12 CO 0.00 1.28 -0.36 0.58 -1.57 0.00 0.00 179.24 179.17 3hx5 h VAL 13 N 0.32 1.31 -0.07 -1.35 2.07 -1.36 -1.73 116.25 115.44 3hx5 h VAL 13 Ca -0.04 -1.57 0.03 0.00 0.82 0.00 0.00 66.70 65.95 3hx5 h VAL 13 Cb 1.26 1.74 -0.04 0.00 -1.52 0.00 0.00 31.29 32.73 3hx5 h VAL 13 CO 0.13 0.49 -0.17 -0.08 0.02 0.00 0.00 177.57 177.96 3hx5 h GLU 14 N 0.38 -0.24 -0.25 1.57 4.81 -1.28 0.20 114.58 119.77 3hx5 h GLU 14 Ca 0.02 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 3hx5 h GLU 14 Cb 0.95 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 3hx5 h GLU 14 CO 0.08 -0.16 0.02 0.00 -0.73 0.00 0.00 179.01 178.22 3hx5 h ALA 15 N 0.73 1.57 -0.06 2.92 0.00 -1.26 -2.38 119.26 120.78 3hx5 h ALA 15 Ca 0.08 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 3hx5 h ALA 15 Cb 0.36 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3hx5 h ALA 15 CO -0.21 0.32 -0.68 0.00 0.00 0.00 0.00 179.25 178.67 3hx5 h ALA 16 N 1.66 0.72 -0.01 0.00 0.00 -0.25 -2.46 119.26 118.92 3hx5 h ALA 16 Ca 0.09 -0.59 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 3hx5 h ALA 16 Cb 0.22 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3hx5 h ALA 16 CO 0.00 0.77 -0.00 0.28 0.00 0.00 0.00 179.25 180.30 3hx5 h VAL 17 N 0.20 1.28 -0.84 0.00 2.07 -0.22 0.27 116.25 119.01 3hx5 h VAL 17 Ca -0.02 -0.82 0.14 0.00 0.82 0.00 0.00 66.70 66.82 3hx5 h VAL 17 Cb 1.23 1.82 -0.09 0.00 -1.52 0.00 0.00 31.29 32.72 3hx5 h VAL 17 CO 0.11 0.22 0.43 0.78 0.02 0.00 0.00 177.57 179.13 3hx5 h ASN 18 N -0.32 0.53 -0.33 0.57 2.35 -1.44 0.34 115.58 117.27 3hx5 h ASN 18 Ca 0.00 0.09 -0.07 0.00 -0.55 0.00 0.00 56.30 55.77 3hx5 h ASN 18 Cb 0.35 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 3hx5 h ASN 18 CO 0.00 0.23 -0.03 -1.28 -1.65 0.00 0.00 177.43 174.70 3hx5 h SER 19 N 0.62 0.69 0.44 5.81 0.87 -1.17 -1.80 113.55 119.02 3hx5 h SER 19 Ca 0.46 -0.17 -0.12 0.00 -1.23 0.00 0.00 61.79 60.73 3hx5 h SER 19 Cb 0.64 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 3hx5 h SER 19 CO -0.36 0.78 -0.53 0.25 -0.53 0.00 0.00 176.83 176.44 3hx5 h LEU 20 N 0.67 0.11 -0.35 2.23 5.85 0.15 -1.94 115.31 122.02 3hx5 h LEU 20 Ca 0.13 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 3hx5 h LEU 20 Cb 0.46 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 3hx5 h LEU 20 CO 0.02 0.62 0.11 0.58 -0.34 0.00 0.00 178.44 179.43 3hx5 h VAL 21 N 0.08 1.21 -0.40 1.05 2.07 0.27 -0.56 116.25 119.96 3hx5 h VAL 21 Ca -0.00 -0.69 -0.07 0.00 0.82 0.00 0.00 66.70 66.76 3hx5 h VAL 21 Cb 0.96 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 3hx5 h VAL 21 CO 0.07 0.24 -0.03 -1.13 0.02 0.00 0.00 177.57 176.74 3hx5 h ASN 22 N 0.42 0.63 -0.63 0.57 -0.73 -1.15 0.69 115.58 115.37 3hx5 h ASN 22 Ca 0.11 -0.15 -0.09 0.00 1.87 0.00 0.00 56.30 58.04 3hx5 h ASN 22 Cb 0.26 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 38.66 3hx5 h ASN 22 CO -0.00 0.73 0.03 0.25 -0.37 0.00 0.00 177.43 178.07 3hx5 h LEU 23 N 0.62 1.07 -0.22 0.34 5.85 -0.95 -1.48 115.31 120.54 3hx5 h LEU 23 Ca 0.12 -0.29 -0.10 0.00 0.84 0.00 0.00 57.88 58.45 3hx5 h LEU 23 Cb 0.44 -0.29 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 3hx5 h LEU 23 CO 0.02 1.10 -0.24 1.88 -0.34 0.00 0.00 178.44 180.86 3hx5 h TYR 24 N 1.01 0.66 -1.00 1.25 -1.99 -0.54 -1.31 116.97 115.05 3hx5 h TYR 24 Ca 0.18 -0.20 0.10 0.00 2.00 0.00 0.00 58.73 60.81 3hx5 h TYR 24 Cb 0.53 -0.14 -0.08 0.00 2.00 0.00 0.00 36.73 39.04 3hx5 h TYR 24 CO 0.04 0.90 0.63 -0.07 -0.00 0.00 0.00 178.16 179.66 3hx5 h LEU 25 N 0.24 0.97 -0.42 3.88 3.38 -0.74 0.37 115.31 122.98 3hx5 h LEU 25 Ca 0.03 0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.86 3hx5 h LEU 25 Cb 0.80 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3hx5 h LEU 25 CO 0.06 0.55 -0.79 -0.61 0.09 0.00 0.00 178.44 177.75 3hx5 h GLN 26 N 1.06 0.10 -0.39 1.13 4.15 -1.15 -1.86 115.11 118.15 3hx5 h GLN 26 Ca 0.47 -0.10 -0.11 0.00 0.77 0.00 0.00 58.65 59.68 3hx5 h GLN 26 Cb 0.36 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 3hx5 h GLN 26 CO -0.23 0.83 -0.21 0.00 -1.93 0.00 0.00 178.83 177.29 3hx5 h ALA 27 N 1.13 0.88 0.09 3.38 0.00 0.07 -2.07 119.26 122.75 3hx5 h ALA 27 Ca -0.02 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 3hx5 h ALA 27 Cb 1.38 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3hx5 h ALA 27 CO 0.11 0.63 -0.05 1.03 0.00 0.00 0.00 179.25 180.97 3hx5 h SER 28 N 0.68 -0.11 -0.95 0.00 0.87 -0.86 -1.70 113.55 111.49 3hx5 h SER 28 Ca 0.10 -0.02 0.09 0.00 -1.23 0.00 0.00 61.79 60.72 3hx5 h SER 28 Cb 0.72 0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 62.64 3hx5 h SER 28 CO 0.06 -0.05 0.60 0.22 -0.53 0.00 0.00 176.83 177.13 3hx5 h TYR 29 N -0.16 1.10 -0.56 2.24 5.03 -1.16 -0.09 116.97 123.37 3hx5 h TYR 29 Ca -0.01 0.03 -0.05 0.00 2.58 0.00 0.00 58.73 61.28 3hx5 h TYR 29 Cb 0.12 -0.35 -0.02 0.00 1.55 0.00 0.00 36.73 38.03 3hx5 h TYR 29 CO -0.06 0.51 0.16 1.15 -1.32 0.00 0.00 178.16 178.59 3hx5 h THR 30 N 1.03 1.24 -0.43 1.81 2.02 -0.92 -2.21 112.91 115.44 3hx5 h THR 30 Ca 0.44 -0.84 -0.09 0.00 0.77 0.00 0.00 66.41 66.69 3hx5 h THR 30 Cb 0.30 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 3hx5 h THR 30 CO -0.21 0.31 -0.11 1.88 0.37 0.00 0.00 175.52 177.76 3hx5 h TYR 31 N 0.79 0.86 0.53 3.16 0.05 -0.37 -0.95 116.97 121.03 3hx5 h TYR 31 Ca 0.18 -0.15 -0.02 0.00 0.05 0.00 0.00 58.73 58.79 3hx5 h TYR 31 Cb 0.31 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.81 3hx5 h TYR 31 CO 0.02 0.85 -0.49 1.25 -1.05 0.00 0.00 178.16 178.74 3hx5 h LEU 32 N 0.71 -1.32 -0.94 3.88 5.85 -0.76 0.21 115.31 122.93 3hx5 h LEU 32 Ca 0.12 0.10 0.16 0.00 0.84 0.00 0.00 57.88 59.10 3hx5 h LEU 32 Cb 0.59 0.43 -0.10 0.00 0.37 0.00 0.00 40.66 41.94 3hx5 h LEU 32 CO 0.04 -0.66 0.54 -1.28 -0.34 0.00 0.00 178.44 176.74 3hx5 h SER 33 N -1.01 0.70 -0.73 1.25 0.87 -1.22 0.16 113.55 113.58 3hx5 h SER 33 Ca -0.07 0.09 -0.05 0.00 -1.23 0.00 0.00 61.79 60.53 3hx5 h SER 33 Cb 0.86 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.75 3hx5 h SER 33 CO -0.03 0.28 0.27 -0.07 -0.53 0.00 0.00 176.83 176.75 3hx5 h LEU 34 N 0.74 1.02 0.16 2.23 3.38 -0.64 -1.63 115.31 120.57 3hx5 h LEU 34 Ca 0.52 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.31 3hx5 h LEU 34 Cb 0.74 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3hx5 h LEU 34 CO -0.36 0.93 -0.20 1.23 0.09 0.00 0.00 178.44 180.14 3hx5 h GLY 35 N 1.05 -0.39 2.00 0.83 0.00 0.23 -2.60 103.07 104.20 3hx5 h GLY 35 Ca 0.24 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.79 3hx5 h GLY 35 CO -0.01 -0.19 0.00 0.74 0.00 0.00 0.00 176.54 177.08 3hx5 h PHE 36 N -0.40 0.00 -0.38 5.60 -1.00 -1.34 -2.83 116.94 116.59 3hx5 h PHE 36 Ca 0.01 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.70 3hx5 h PHE 36 Cb 0.40 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.95 3hx5 h PHE 36 CO -0.17 0.00 -0.14 -0.92 -1.61 0.00 0.00 178.31 175.47 3hx5 h TYR 37 N 0.00 0.87 0.00 -0.55 3.20 -0.92 -2.48 116.97 117.10 3hx5 h TYR 37 Ca 0.00 -0.20 0.00 0.00 3.14 0.00 0.00 58.73 61.67 3hx5 h TYR 37 Cb 0.55 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.61 3hx5 h TYR 37 CO 0.00 0.93 0.00 1.19 -1.64 0.00 0.00 178.16 178.64 3hx5 n PHE 38 N -4.31 0.00 0.20 -3.82 3.72 -1.06 -2.71 117.46 109.48 3hx5 n PHE 38 Ca -0.02 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.50 3hx5 n PHE 38 Cb 0.39 -0.36 0.05 0.00 -0.94 0.00 0.00 39.48 38.62 3hx5 n PHE 38 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 3hx5 h ASP 39 N 0.00 0.00 -3.12 4.37 -0.00 -1.33 -1.27 116.42 115.07 3hx5 h ASP 39 Ca 0.00 -0.04 -0.58 0.00 -0.00 0.00 0.00 57.03 56.41 3hx5 h ASP 39 Cb 0.30 0.00 0.12 0.00 -0.00 0.00 0.00 39.33 39.75 3hx5 h ASP 39 CO 0.00 0.02 0.32 0.54 -0.00 0.00 0.00 179.24 180.12 3hx5 n ARG 40 N -2.62 1.69 0.01 0.28 1.74 -1.10 -4.62 116.66 112.03 3hx5 n ARG 40 Ca 0.01 0.60 0.10 0.00 -0.77 0.00 0.00 57.85 57.79 3hx5 n ARG 40 Cb 0.53 -2.16 0.53 0.00 -1.02 0.00 0.00 32.46 30.34 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 2.01 0.29 1.16 0.55 2.03 -1.91 0.67 116.42 121.21 3hx5 h ASP 41 Ca -0.45 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 3hx5 h ASP 41 Cb 1.31 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 3hx5 h ASP 41 CO 0.60 0.19 -0.04 -0.90 -1.03 0.00 0.00 179.24 178.05 3hx5 n ASP 42 N -4.47 0.36 -0.09 4.15 3.85 -1.26 -4.00 116.55 115.09 3hx5 n ASP 42 Ca 0.06 0.48 -0.19 0.00 -0.71 0.00 0.00 54.79 54.43 3hx5 n ASP 42 Cb 0.27 -0.56 -0.06 0.00 -1.35 0.00 0.00 41.12 39.42 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 -1.81 1.12 -3.42 2.12 0.31 -0.74 -5.07 118.33 110.84 3hx5 n VAL 43 Ca 0.06 -0.21 -0.30 0.00 -0.01 0.00 0.00 64.34 63.89 3hx5 n VAL 43 Cb 0.38 -1.82 0.02 0.00 -0.91 0.00 0.00 33.84 31.51 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 -3.92 -2.34 -3.53 3.52 0.00 0.23 -4.99 120.51 109.48 3hx5 n ALA 44 Ca -0.35 0.06 -0.29 0.00 0.00 0.00 0.00 53.44 52.86 3hx5 n ALA 44 Cb 0.72 -1.38 -0.12 0.00 0.00 0.00 0.00 19.45 18.67 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 -3.24 1.53 0.15 0.00 1.43 -0.48 -5.02 118.68 113.04 3hx5 s LEU 45 Ca 0.20 -2.43 -0.21 0.00 -1.03 0.00 0.00 54.13 50.66 3hx5 s LEU 45 Cb -0.02 -0.59 0.04 0.00 0.03 0.00 0.00 46.19 45.65 3hx5 s LEU 45 CO 0.79 -0.28 1.64 -0.08 0.23 0.00 0.00 176.35 178.65 3hx5 h GLU 46 N 6.76 -0.18 -0.36 1.70 4.81 -1.94 -1.06 114.58 124.31 3hx5 h GLU 46 Ca 0.07 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.39 3hx5 h GLU 46 Cb 0.95 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 30.29 3hx5 h GLU 46 CO 0.34 -0.12 -0.18 0.78 -0.73 0.00 0.00 179.01 179.11 3hx5 h GLY 47 N -0.18 0.10 0.99 1.92 0.00 -1.95 0.20 103.07 104.14 3hx5 h GLY 47 Ca 0.14 0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.69 3hx5 h GLY 47 CO -0.37 -0.18 -0.01 -2.08 0.00 0.00 0.00 176.54 173.90 3hx5 h VAL 48 N -0.12 0.99 -0.76 4.60 2.07 -1.90 -0.08 116.25 121.05 3hx5 h VAL 48 Ca 0.18 -0.04 0.13 0.00 0.82 0.00 0.00 66.70 67.80 3hx5 h VAL 48 Cb 0.39 1.01 -0.09 0.00 -1.52 0.00 0.00 31.29 31.08 3hx5 h VAL 48 CO -0.43 0.01 0.33 -1.28 0.02 0.00 0.00 177.57 176.22 3hx5 h SER 49 N -0.05 0.35 -0.23 0.57 0.87 -0.41 -0.82 113.55 113.84 3hx5 h SER 49 Ca -0.00 0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 3hx5 h SER 49 Cb 0.04 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 3hx5 h SER 49 CO 0.01 0.15 0.06 -0.74 -0.53 0.00 0.00 176.83 175.78 3hx5 h HIS 50 N 0.50 0.38 -0.14 2.24 6.17 -0.25 -1.67 115.15 122.38 3hx5 h HIS 50 Ca 0.41 -0.04 0.05 0.00 0.71 0.00 0.00 60.37 61.50 3hx5 h HIS 50 Cb 0.58 -0.11 -0.06 0.00 2.52 0.00 0.00 27.41 30.34 3hx5 h HIS 50 CO -0.14 0.45 -0.30 0.35 0.71 0.00 0.00 177.93 179.00 3hx5 h PHE 51 N 0.20 -0.82 0.00 5.26 3.57 0.35 0.10 116.94 125.59 3hx5 h PHE 51 Ca 0.07 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 3hx5 h PHE 51 Cb 0.26 0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 3hx5 h PHE 51 CO 0.01 -0.38 -0.24 0.74 -2.23 0.00 0.00 178.31 176.21 3hx5 h PHE 52 N -0.37 0.00 -0.05 0.41 0.05 -1.26 -2.22 116.94 113.49 3hx5 h PHE 52 Ca 0.10 0.00 -0.20 0.00 3.82 0.00 0.00 57.97 61.69 3hx5 h PHE 52 Cb 0.52 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.47 3hx5 h PHE 52 CO -0.39 0.24 -0.81 0.00 -0.18 0.00 0.00 178.31 177.17 3hx5 h ARG 53 N 0.00 0.44 -0.37 1.51 3.08 -0.26 -1.09 114.38 117.69 3hx5 h ARG 53 Ca -0.00 -0.40 -0.12 0.00 0.07 0.00 0.00 59.98 59.53 3hx5 h ARG 53 Cb 0.58 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 3hx5 h ARG 53 CO 0.03 1.04 -0.26 0.93 -1.07 0.00 0.00 179.97 180.65 3hx5 h GLU 54 N 0.28 0.76 -0.70 0.04 5.08 -0.57 -2.78 114.58 116.70 3hx5 h GLU 54 Ca -0.05 -0.32 -0.06 0.00 -1.00 0.00 0.00 59.36 57.93 3hx5 h GLU 54 Cb 1.42 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.61 3hx5 h GLU 54 CO 0.14 0.93 0.21 -0.07 -1.00 0.00 0.00 179.01 179.23 3hx5 h LEU 55 N 0.66 1.02 -1.89 1.33 3.38 -1.26 0.26 115.31 118.81 3hx5 h LEU 55 Ca 0.08 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.86 3hx5 h LEU 55 Cb 0.77 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3hx5 h LEU 55 CO 0.06 0.96 0.11 0.00 0.09 0.00 0.00 178.44 179.67 3hx5 h ALA 56 N 1.10 1.98 0.09 1.53 0.00 -1.00 -0.92 119.26 122.03 3hx5 h ALA 56 Ca 0.22 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.86 3hx5 h ALA 56 Cb 0.31 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3hx5 h ALA 56 CO -0.01 0.00 -1.26 1.49 0.00 0.00 0.00 179.25 179.48 3hx5 h GLU 57 N 0.14 0.19 -0.67 0.00 4.57 -1.00 -2.95 114.58 114.87 3hx5 h GLU 57 Ca 0.07 -0.32 -0.07 0.00 -1.18 0.00 0.00 59.36 57.85 3hx5 h GLU 57 Cb 0.09 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.77 3hx5 h GLU 57 CO -0.01 1.12 0.14 0.93 -1.18 0.00 0.00 179.01 180.00 3hx5 h GLU 58 N 0.05 1.07 0.00 1.92 5.08 -0.14 -0.85 114.58 121.71 3hx5 h GLU 58 Ca -0.13 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 57.90 3hx5 h GLU 58 Cb 1.93 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 31.04 3hx5 h GLU 58 CO 0.17 0.96 -0.29 0.87 -1.00 0.00 0.00 179.01 179.72 3hx5 h LYS 59 N 1.01 0.00 -0.05 2.33 1.79 -1.26 -1.73 116.57 118.67 3hx5 h LYS 59 Ca 0.21 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.46 3hx5 h LYS 59 Cb 0.39 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 3hx5 h LYS 59 CO 0.01 0.29 -0.85 -0.09 -1.08 0.00 0.00 179.45 177.73 3hx5 h ARG 60 N 0.00 0.48 -0.31 3.15 2.43 -1.06 -2.24 114.38 116.83 3hx5 h ARG 60 Ca -0.00 -0.45 -0.05 0.00 -0.81 0.00 0.00 59.98 58.66 3hx5 h ARG 60 Cb 0.68 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.33 3hx5 h ARG 60 CO 0.04 1.09 -0.04 0.93 -1.51 0.00 0.00 179.97 180.49 3hx5 h GLU 61 N 0.30 0.49 0.36 0.20 5.08 -0.80 -2.19 114.58 118.01 3hx5 h GLU 61 Ca -0.06 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 3hx5 h GLU 61 Cb 1.47 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.65 3hx5 h GLU 61 CO 0.15 0.54 -0.18 0.78 -1.00 0.00 0.00 179.01 179.31 3hx5 h GLY 62 N 0.84 -0.57 2.00 -3.84 0.00 -0.96 -0.46 103.07 100.08 3hx5 h GLY 62 Ca 0.10 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.65 3hx5 h GLY 62 CO 0.01 -0.20 0.00 1.58 0.00 0.00 0.00 176.54 177.93 3hx5 n TYR 63 N -3.37 0.15 0.02 5.60 0.18 -0.88 -1.16 117.16 117.71 3hx5 n TYR 63 Ca -0.06 0.07 -0.19 0.00 1.88 0.00 0.00 57.90 59.60 3hx5 n TYR 63 Cb 0.20 -0.61 -0.14 0.00 -0.38 0.00 0.00 39.34 38.41 3hx5 n TYR 63 CO 0.00 0.00 0.00 0.93 -2.08 0.00 0.00 176.86 175.71 3hx5 h GLU 64 N 0.00 0.27 -0.40 -3.48 5.08 -1.09 -2.14 114.58 112.81 3hx5 h GLU 64 Ca 0.00 -0.42 -0.06 0.00 -1.00 0.00 0.00 59.36 57.88 3hx5 h GLU 64 Cb 0.11 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3hx5 h GLU 64 CO 0.00 1.18 -0.00 -0.09 -1.00 0.00 0.00 179.01 179.09 3hx5 h ARG 65 N -0.43 0.64 0.04 2.33 2.43 0.46 -0.10 114.38 119.75 3hx5 h ARG 65 Ca -0.11 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 58.91 3hx5 h ARG 65 Cb 1.48 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.94 3hx5 h ARG 65 CO 0.12 0.66 -0.02 -0.07 -1.51 0.00 0.00 179.97 179.15 3hx5 h LEU 66 N 0.61 -0.05 -1.62 3.80 3.38 -1.31 0.02 115.31 120.14 3hx5 h LEU 66 Ca 0.12 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3hx5 h LEU 66 Cb 0.38 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3hx5 h LEU 66 CO 0.01 0.16 -0.13 -0.07 0.09 0.00 0.00 178.44 178.50 3hx5 h LEU 67 N -0.26 0.07 -0.12 1.67 3.38 -1.08 0.22 115.31 119.20 3hx5 h LEU 67 Ca -0.01 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3hx5 h LEU 67 Cb 0.24 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3hx5 h LEU 67 CO 0.01 0.22 -0.07 0.50 0.09 0.00 0.00 178.44 179.18 3hx5 h LYS 68 N 0.08 0.26 -0.37 1.13 1.63 -0.70 -2.66 116.57 115.94 3hx5 h LYS 68 Ca 0.02 -0.12 -0.05 0.00 -0.85 0.00 0.00 60.65 59.65 3hx5 h LYS 68 Cb 0.28 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.89 3hx5 h LYS 68 CO 0.02 0.62 0.05 1.98 -3.45 0.00 0.00 179.45 178.67 3hx5 h MET 69 N -0.10 0.61 -0.96 1.90 4.05 -0.57 -2.16 114.93 117.70 3hx5 h MET 69 Ca 0.03 -0.17 0.24 0.00 -0.28 0.00 0.00 59.70 59.52 3hx5 h MET 69 Cb 0.55 -0.07 -0.07 0.00 -0.80 0.00 0.00 31.60 31.21 3hx5 h MET 69 CO 0.02 0.68 0.64 0.37 0.23 0.00 0.00 176.91 178.86 3hx5 h GLN 70 N 0.45 0.31 0.08 0.39 5.75 -0.54 0.12 115.11 121.67 3hx5 h GLN 70 Ca 0.11 -0.02 -0.26 0.00 -0.15 0.00 0.00 58.65 58.33 3hx5 h GLN 70 Cb 0.37 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.84 3hx5 h GLN 70 CO 0.01 0.21 -1.25 -0.91 -2.65 0.00 0.00 178.83 174.23 3hx5 h ASN 71 N 0.32 0.25 0.14 -0.69 4.21 -1.07 -0.36 115.58 118.39 3hx5 h ASN 71 Ca 0.51 -0.30 -0.08 0.00 1.21 0.00 0.00 56.30 57.65 3hx5 h ASN 71 Cb 1.42 -0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 38.52 3hx5 h ASN 71 CO -0.18 1.24 -0.27 1.56 -1.29 0.00 0.00 177.43 178.49 3hx5 h GLN 72 N 0.04 0.22 -0.00 0.81 4.20 -0.20 -2.69 115.11 117.50 3hx5 h GLN 72 Ca -0.13 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.51 3hx5 h GLN 72 Cb 1.92 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.68 3hx5 h GLN 72 CO 0.16 0.48 -0.17 0.54 -0.67 0.00 0.00 178.83 179.18 3hx5 n ARG 73 N -4.15 0.33 -0.42 1.46 5.12 -0.55 -4.92 116.66 113.53 3hx5 n ARG 73 Ca -0.01 -0.11 0.00 0.00 -1.93 0.00 0.00 57.85 55.80 3hx5 n ARG 73 Cb 0.37 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.17 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 1.39 0.76 3.79 -0.13 0.00 -1.01 -4.17 105.19 105.82 3hx5 n GLY 74 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.76 1.62 -0.15 -0.02 0.00 -0.15 -4.58 107.32 102.27 3hx5 s GLY 75 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 43.99 3hx5 s GLY 75 CO 0.00 -0.09 -0.12 0.50 0.00 0.00 0.00 173.10 173.39 3hx5 s ARG 76 N -5.44 2.08 0.36 2.90 1.81 -1.26 -4.49 118.95 114.90 3hx5 s ARG 76 Ca 0.67 -0.55 -0.28 0.00 -1.72 0.00 0.00 55.73 53.84 3hx5 s ARG 76 Cb -0.12 -2.07 -0.11 0.00 -0.45 0.00 0.00 34.95 32.21 3hx5 s ARG 76 CO 0.53 -0.28 1.46 0.00 -0.68 0.00 0.00 175.30 176.33 3hx5 s ALA 77 N 1.52 3.58 -0.02 2.13 0.00 -1.26 -5.01 121.76 122.70 3hx5 s ALA 77 Ca 0.04 1.51 0.02 0.00 0.00 0.00 0.00 51.96 53.52 3hx5 s ALA 77 Cb -0.13 -3.59 0.01 0.00 0.00 0.00 0.00 23.12 19.41 3hx5 s ALA 77 CO -0.10 -0.97 -0.05 -0.51 0.00 0.00 0.00 175.76 174.13 3hx5 s LEU 78 N -1.82 1.66 0.04 0.00 1.43 -1.26 -5.15 118.68 113.57 3hx5 s LEU 78 Ca 0.53 -0.12 0.08 0.00 -1.03 0.00 0.00 54.13 53.59 3hx5 s LEU 78 Cb -0.45 -0.38 -0.03 0.00 0.03 0.00 0.00 46.19 45.35 3hx5 s LEU 78 CO 0.59 0.01 -0.21 -0.36 0.23 0.00 0.00 176.35 176.61 3hx5 s PHE 79 N 0.39 2.47 0.28 0.29 0.08 -1.26 -4.91 117.98 115.33 3hx5 s PHE 79 Ca -0.05 -0.32 0.07 0.00 0.12 0.00 0.00 56.93 56.75 3hx5 s PHE 79 Cb -0.09 -1.45 -0.06 0.00 -0.57 0.00 0.00 43.02 40.86 3hx5 s PHE 79 CO -0.00 0.19 -0.06 -0.65 -0.10 0.00 0.00 175.22 174.60 3hx5 s GLN 80 N -1.30 1.57 0.50 0.44 -1.52 -1.26 -5.11 119.66 112.98 3hx5 s GLN 80 Ca 0.13 -1.80 -0.21 0.00 -1.95 0.00 0.00 55.36 51.53 3hx5 s GLN 80 Cb -0.10 -1.21 -0.09 0.00 -0.22 0.00 0.00 33.01 31.39 3hx5 s GLN 80 CO 0.04 0.05 0.84 -0.25 -0.25 0.00 0.00 175.29 175.71 3hx5 n ASP 81 N -0.60 0.39 -4.52 5.90 10.43 -1.26 -4.94 116.55 121.95 3hx5 n ASP 81 Ca -0.05 0.90 -0.38 0.00 2.57 0.00 0.00 54.79 57.83 3hx5 n ASP 81 Cb 0.63 -1.29 -0.12 0.00 1.84 0.00 0.00 41.12 42.18 3hx5 n ASP 81 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3hx5 s ILE 82 N -1.45 4.87 0.23 0.53 1.01 -1.26 -5.06 121.20 120.06 3hx5 s ILE 82 Ca 0.68 -0.01 -0.30 0.00 0.00 0.00 0.00 60.65 61.01 3hx5 s ILE 82 Cb -0.50 -3.32 -0.10 0.00 0.01 0.00 0.00 42.46 38.55 3hx5 s ILE 82 CO 0.54 0.27 1.38 -0.54 0.00 0.00 0.00 174.94 176.59 3hx5 s LYS 83 N 1.69 4.32 0.59 2.79 -0.14 -1.26 -4.98 119.74 122.75 3hx5 s LYS 83 Ca 0.07 2.19 -0.19 0.00 -1.36 0.00 0.00 55.97 56.68 3hx5 s LYS 83 Cb -0.16 -3.14 -0.03 0.00 -1.68 0.00 0.00 37.83 32.81 3hx5 s LYS 83 CO 0.08 -0.34 1.24 -1.59 -0.76 0.00 0.00 175.35 173.97 3hx5 s LYS 84 N -0.30 2.96 0.64 1.68 -2.85 -1.26 -4.89 119.74 115.72 3hx5 s LYS 84 Ca 0.58 1.91 -0.17 0.00 -1.00 0.00 0.00 55.97 57.29 3hx5 s LYS 84 Cb -0.40 -1.97 -0.07 0.00 -2.06 0.00 0.00 37.83 33.33 3hx5 s LYS 84 CO 0.41 -1.24 0.42 -2.30 0.10 0.00 0.00 175.35 172.74 3hx5 n PRO 85 N -1.52 0.36 0.24 1.78 -0.02 -1.26 -4.88 135.00 129.69 3hx5 n PRO 85 Ca 0.13 0.15 0.10 0.00 -2.02 0.00 0.00 63.50 61.87 3hx5 n PRO 85 Cb 0.49 -1.66 0.69 0.00 -0.02 0.00 0.00 33.50 32.99 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 -0.08 1.98 -2.14 3.55 0.00 -1.98 -3.44 119.26 117.15 3hx5 h ALA 86 Ca -0.45 -0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.02 3hx5 h ALA 86 Cb 1.38 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 19.03 3hx5 h ALA 86 CO 0.44 -0.07 -0.67 -1.21 0.00 0.00 0.00 179.25 177.73 3hx5 s GLU 87 N -5.00 1.42 -0.16 0.00 0.41 -1.26 -5.04 118.70 109.07 3hx5 s GLU 87 Ca -0.05 -1.71 0.09 0.00 -0.41 0.00 0.00 54.97 52.90 3hx5 s GLU 87 Cb 0.17 -0.90 -0.17 0.00 -1.78 0.00 0.00 34.13 31.45 3hx5 s GLU 87 CO 0.66 -0.01 -0.02 -0.25 -0.49 0.00 0.00 175.26 175.15 3hx5 n ASP 88 N -0.48 1.70 -4.14 -0.19 8.00 -1.26 -4.95 116.55 115.23 3hx5 n ASP 88 Ca -0.06 -0.03 -0.24 0.00 0.71 0.00 0.00 54.79 55.17 3hx5 n ASP 88 Cb 0.63 0.49 -0.15 0.00 -0.02 0.00 0.00 41.12 42.07 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 -2.37 1.41 -0.27 -1.24 2.02 -1.26 -5.00 118.70 111.99 3hx5 s GLU 89 Ca -0.13 -0.59 0.12 0.00 0.02 0.00 0.00 54.97 54.39 3hx5 s GLU 89 Cb 0.05 -1.33 0.60 0.00 0.10 0.00 0.00 34.13 33.55 3hx5 s GLU 89 CO 0.56 0.33 1.58 0.91 0.02 0.00 0.00 175.26 178.66 3hx5 n TRP 90 N 2.77 1.57 -3.16 1.61 7.02 -1.26 -5.08 117.44 120.91 3hx5 n TRP 90 Ca -0.15 -1.23 0.00 0.00 -1.02 0.00 0.00 57.50 55.10 3hx5 n TRP 90 Cb 0.54 -0.51 0.00 0.00 -2.42 0.00 0.00 31.31 28.92 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 -0.60 0.97 3.89 6.99 0.00 -1.26 -3.70 105.19 111.48 3hx5 n GLY 91 Ca 0.33 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 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 2.37 0.19 1.61 1.02 -1.26 -4.84 119.74 118.83 3hx5 s LYS 92 Ca 0.00 0.27 -0.14 0.00 0.02 0.00 0.00 55.97 56.12 3hx5 s LYS 92 Cb 0.00 -1.98 0.20 0.00 -0.52 0.00 0.00 37.83 35.53 3hx5 s LYS 92 CO 0.00 -1.34 1.65 1.15 -0.92 0.00 0.00 175.35 175.89 3hx5 h THR 93 N -0.88 0.48 -0.92 2.17 2.02 -2.00 -1.69 112.91 112.10 3hx5 h THR 93 Ca -0.46 -0.01 0.06 0.00 0.77 0.00 0.00 66.41 66.77 3hx5 h THR 93 Cb 1.29 0.45 -0.06 0.00 -1.74 0.00 0.00 68.15 68.10 3hx5 h THR 93 CO 0.65 0.01 0.60 -0.65 0.37 0.00 0.00 175.52 176.49 3hx5 h PRO 94 N 0.03 1.05 -0.57 6.66 0.11 -1.94 0.33 132.00 137.67 3hx5 h PRO 94 Ca 0.27 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.25 3hx5 h PRO 94 Cb 0.41 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.26 3hx5 h PRO 94 CO -0.54 0.69 0.08 -0.44 -0.21 0.00 0.00 178.00 177.59 3hx5 h ASP 95 N 1.08 0.88 -0.19 -2.05 3.45 -1.62 -1.51 116.42 116.46 3hx5 h ASP 95 Ca 0.39 -0.20 -0.12 0.00 0.43 0.00 0.00 57.03 57.53 3hx5 h ASP 95 Cb 0.14 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 38.68 3hx5 h ASP 95 CO -0.14 0.89 -0.35 0.00 -1.57 0.00 0.00 179.24 178.07 3hx5 h ALA 96 N 1.21 0.30 -0.89 3.45 0.00 -0.77 -2.67 119.26 119.89 3hx5 h ALA 96 Ca 0.18 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.67 3hx5 h ALA 96 Cb 0.41 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 3hx5 h ALA 96 CO 0.01 0.37 0.59 1.98 0.00 0.00 0.00 179.25 182.20 3hx5 h MET 97 N 0.25 1.15 0.08 0.00 -1.53 -0.79 0.05 114.93 114.14 3hx5 h MET 97 Ca 0.01 -0.07 -0.00 0.00 -3.44 0.00 0.00 59.70 56.20 3hx5 h MET 97 Cb 0.95 -0.26 0.00 0.00 -0.55 0.00 0.00 31.60 31.74 3hx5 h MET 97 CO 0.08 0.76 -0.04 0.87 0.14 0.00 0.00 176.91 178.72 3hx5 h LYS 98 N 1.19 -0.11 -0.14 0.39 1.57 -1.23 -0.17 116.57 118.07 3hx5 h LYS 98 Ca 0.33 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.13 3hx5 h LYS 98 Cb -0.11 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3hx5 h LYS 98 CO -0.08 -0.01 0.10 0.00 -0.57 0.00 0.00 179.45 178.88 3hx5 h ALA 99 N 0.74 1.95 -0.30 3.86 0.00 -1.07 -0.77 119.26 123.68 3hx5 h ALA 99 Ca -0.01 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3hx5 h ALA 99 Cb 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3hx5 h ALA 99 CO 0.02 0.04 -0.15 0.00 0.00 0.00 0.00 179.25 179.16 3hx5 h ALA 100 N 1.92 0.42 -0.35 0.00 0.00 -0.27 -2.41 119.26 118.57 3hx5 h ALA 100 Ca 0.06 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 3hx5 h ALA 100 Cb 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3hx5 h ALA 100 CO -0.01 0.32 -0.05 1.98 0.00 0.00 0.00 179.25 181.49 3hx5 h MET 101 N 0.38 0.65 0.00 0.00 -1.53 0.07 -1.82 114.93 112.68 3hx5 h MET 101 Ca 0.07 -0.23 -0.03 0.00 -3.44 0.00 0.00 59.70 56.07 3hx5 h MET 101 Cb 0.67 -0.05 -0.00 0.00 -0.55 0.00 0.00 31.60 31.67 3hx5 h MET 101 CO 0.04 0.80 -0.13 0.00 0.14 0.00 0.00 176.91 177.76 3hx5 h ALA 102 N 0.84 1.54 -0.03 0.39 0.00 -1.21 0.14 119.26 120.92 3hx5 h ALA 102 Ca 0.09 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3hx5 h ALA 102 Cb 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3hx5 h ALA 102 CO 0.03 0.16 -0.24 1.25 0.00 0.00 0.00 179.25 180.45 3hx5 h LEU 103 N 0.00 0.27 -0.54 0.00 5.85 -1.17 -1.73 115.31 117.99 3hx5 h LEU 103 Ca -0.00 -0.70 -0.01 0.00 0.84 0.00 0.00 57.88 58.01 3hx5 h LEU 103 Cb 0.27 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3hx5 h LEU 103 CO 0.02 0.92 0.28 -0.33 -0.34 0.00 0.00 178.44 178.99 3hx5 h GLU 104 N -0.37 0.76 -0.77 1.25 4.39 -0.69 -1.11 114.58 118.04 3hx5 h GLU 104 Ca -0.02 -0.10 0.02 0.00 0.34 0.00 0.00 59.36 59.60 3hx5 h GLU 104 Cb 0.93 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.39 3hx5 h GLU 104 CO 0.05 0.60 0.50 0.87 -1.16 0.00 0.00 179.01 179.88 3hx5 h LYS 105 N 0.73 0.99 -0.86 2.33 1.57 -0.77 0.37 116.57 120.93 3hx5 h LYS 105 Ca 0.19 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3hx5 h LYS 105 Cb 0.07 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.12 3hx5 h LYS 105 CO -0.03 0.65 0.50 -0.22 -0.57 0.00 0.00 179.45 179.79 3hx5 h LYS 106 N 1.02 1.17 -0.18 3.15 3.64 -0.87 -0.72 116.57 123.77 3hx5 h LYS 106 Ca 0.29 -0.11 -0.19 0.00 -1.27 0.00 0.00 60.65 59.37 3hx5 h LYS 106 Cb -0.08 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.50 3hx5 h LYS 106 CO -0.08 0.83 -0.64 -0.07 -2.27 0.00 0.00 179.45 177.22 3hx5 h LEU 107 N 1.18 0.73 -0.60 5.20 3.38 0.10 -2.40 115.31 122.91 3hx5 h LEU 107 Ca 0.31 -0.43 0.01 0.00 0.09 0.00 0.00 57.88 57.86 3hx5 h LEU 107 Cb -0.03 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 3hx5 h LEU 107 CO -0.06 1.19 0.39 -1.13 0.09 0.00 0.00 178.44 178.92 3hx5 h ASN 108 N 0.47 0.67 0.19 -0.43 -1.24 0.19 -0.31 115.58 115.12 3hx5 h ASN 108 Ca -0.01 -0.01 -0.00 0.00 0.71 0.00 0.00 56.30 56.98 3hx5 h ASN 108 Cb 1.22 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 40.11 3hx5 h ASN 108 CO 0.12 0.48 -0.14 -0.61 -1.29 0.00 0.00 177.43 176.00 3hx5 h GLN 109 N 0.79 -0.32 -0.61 6.67 5.75 -0.99 0.14 115.11 126.54 3hx5 h GLN 109 Ca 0.23 0.02 0.09 0.00 -0.15 0.00 0.00 58.65 58.84 3hx5 h GLN 109 Cb -0.06 0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.52 3hx5 h GLN 109 CO -0.06 -0.21 0.41 0.00 -2.65 0.00 0.00 178.83 176.31 3hx5 h ALA 110 N 0.46 1.99 -0.28 3.38 0.00 -1.06 0.28 119.26 124.03 3hx5 h ALA 110 Ca -0.01 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 3hx5 h ALA 110 Cb 0.29 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hx5 h ALA 110 CO -0.00 -0.12 -0.33 -0.07 0.00 0.00 0.00 179.25 178.73 3hx5 h LEU 111 N 0.44 0.78 -0.32 0.00 3.38 -0.16 -2.04 115.31 117.39 3hx5 h LEU 111 Ca 0.28 -0.49 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 3hx5 h LEU 111 Cb 0.52 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3hx5 h LEU 111 CO -0.08 1.11 0.01 -0.07 0.09 0.00 0.00 178.44 179.50 3hx5 h LEU 112 N 0.47 0.55 -1.19 1.67 3.38 0.87 -1.45 115.31 119.61 3hx5 h LEU 112 Ca 0.04 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 57.76 3hx5 h LEU 112 Cb 0.91 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.46 3hx5 h LEU 112 CO 0.08 0.71 0.56 0.44 0.09 0.00 0.00 178.44 180.32 3hx5 h ASP 113 N 0.37 0.89 0.68 -0.43 3.45 -0.50 0.46 116.42 121.34 3hx5 h ASP 113 Ca 0.09 -0.00 -0.14 0.00 0.43 0.00 0.00 57.03 57.41 3hx5 h ASP 113 Cb 0.42 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 38.98 3hx5 h ASP 113 CO 0.01 0.59 -0.68 0.25 -1.57 0.00 0.00 179.24 177.85 3hx5 h LEU 114 N 1.02 0.00 -0.26 1.55 5.85 -1.15 -1.10 115.31 121.22 3hx5 h LEU 114 Ca 0.36 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 59.01 3hx5 h LEU 114 Cb 0.12 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3hx5 h LEU 114 CO -0.12 0.68 -0.11 -0.74 -0.34 0.00 0.00 178.44 177.81 3hx5 h HIS 115 N 0.00 0.61 -0.12 1.25 2.76 -0.08 -0.82 115.15 118.74 3hx5 h HIS 115 Ca -0.01 -0.15 0.01 0.00 -2.20 0.00 0.00 60.37 58.03 3hx5 h HIS 115 Cb 1.20 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 30.00 3hx5 h HIS 115 CO 0.00 0.78 0.02 0.00 -1.30 0.00 0.00 177.93 177.43 3hx5 h ALA 116 N 0.74 0.12 0.00 5.26 0.00 -0.85 0.31 119.26 124.85 3hx5 h ALA 116 Ca 0.06 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3hx5 h ALA 116 Cb 0.61 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3hx5 h ALA 116 CO 0.03 -0.43 -0.05 1.25 0.00 0.00 0.00 179.25 180.06 3hx5 h LEU 117 N 0.08 0.00 0.06 0.00 5.85 -1.12 -0.31 115.31 119.86 3hx5 h LEU 117 Ca 0.05 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 3hx5 h LEU 117 Cb 0.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3hx5 h LEU 117 CO -0.07 0.05 -0.03 1.23 -0.34 0.00 0.00 178.44 179.28 3hx5 h GLY 118 N 0.33 -0.08 1.02 3.75 0.00 0.50 -2.59 103.07 106.00 3hx5 h GLY 118 Ca -0.00 0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.37 3hx5 h GLY 118 CO 0.01 -0.03 0.65 1.76 0.00 0.00 0.00 176.54 178.92 3hx5 h SER 119 N -0.66 1.11 -0.05 0.19 0.02 -0.43 0.47 113.55 114.21 3hx5 h SER 119 Ca -0.01 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 3hx5 h SER 119 Cb 0.56 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 3hx5 h SER 119 CO 0.01 0.80 -0.02 0.00 -1.14 0.00 0.00 176.83 176.48 3hx5 h ALA 120 N 1.40 1.70 -0.66 3.77 0.00 -1.09 -0.57 119.26 123.80 3hx5 h ALA 120 Ca 0.36 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3hx5 h ALA 120 Cb -0.13 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3hx5 h ALA 120 CO -0.08 0.23 0.00 0.54 0.00 0.00 0.00 179.25 179.94 3hx5 n ARG 121 N -4.39 2.71 -3.74 0.00 5.12 -0.71 -4.98 116.66 110.67 3hx5 n ARG 121 Ca -0.01 -2.57 -0.25 0.00 -1.93 0.00 0.00 57.85 53.09 3hx5 n ARG 121 Cb 0.18 -1.54 0.01 0.00 -1.16 0.00 0.00 32.46 29.94 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 1.55 -4.22 -3.92 0.55 -2.24 0.04 -4.95 114.28 101.08 3hx5 n THR 122 Ca 0.23 -0.18 -0.29 0.00 -2.27 0.00 0.00 64.05 61.54 3hx5 n THR 122 Cb 0.61 -3.41 -0.13 0.00 -2.10 0.00 0.00 70.33 65.29 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 -3.09 4.50 0.31 3.42 -1.08 -0.51 -4.97 116.67 115.25 3hx5 s ASP 123 Ca 0.09 -3.35 -0.01 0.00 -0.52 0.00 0.00 52.55 48.76 3hx5 s ASP 123 Cb -0.05 -1.63 0.49 0.00 -1.46 0.00 0.00 42.92 40.28 3hx5 s ASP 123 CO 0.89 -0.17 1.98 1.55 0.52 0.00 0.00 175.17 179.93 3hx5 h PRO 124 N 6.05 1.01 -0.10 4.34 0.13 -1.92 -2.55 132.00 138.96 3hx5 h PRO 124 Ca 0.01 -0.07 0.01 0.00 -0.87 0.00 0.00 66.00 65.08 3hx5 h PRO 124 Cb 0.84 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 3hx5 h PRO 124 CO 0.70 0.68 0.04 1.25 -0.23 0.00 0.00 178.00 180.44 3hx5 h HIS 125 N 1.04 0.08 -0.28 1.56 2.76 -1.97 -0.28 115.15 118.06 3hx5 h HIS 125 Ca 0.28 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.47 3hx5 h HIS 125 Cb -0.11 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 28.81 3hx5 h HIS 125 CO 0.00 0.05 0.13 1.25 -1.30 0.00 0.00 177.93 178.06 3hx5 h LEU 126 N 0.10 0.19 -1.03 0.26 5.85 -1.94 0.08 115.31 118.81 3hx5 h LEU 126 Ca 0.04 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3hx5 h LEU 126 Cb 0.01 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 3hx5 h LEU 126 CO -0.03 0.14 0.59 0.00 -0.34 0.00 0.00 178.44 178.80 3hx5 h ASP 128 N 1.27 0.98 -0.35 0.00 3.58 -0.77 -1.87 116.42 119.26 3hx5 h ASP 128 Ca 0.34 -0.44 0.04 0.00 0.42 0.00 0.00 57.03 57.39 3hx5 h ASP 128 Cb -0.10 -0.27 -0.04 0.00 1.72 0.00 0.00 39.33 40.64 3hx5 h ASP 128 CO -0.07 1.23 0.13 0.15 -2.88 0.00 0.00 179.24 177.80 3hx5 h PHE 129 N 0.76 0.22 0.00 0.28 3.04 -0.50 0.17 116.94 120.91 3hx5 h PHE 129 Ca 0.07 0.02 -0.12 0.00 3.98 0.00 0.00 57.97 61.91 3hx5 h PHE 129 Cb 0.96 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 39.40 3hx5 h PHE 129 CO 0.06 0.10 -0.57 -0.07 -2.02 0.00 0.00 178.31 175.81 3hx5 h LEU 130 N 0.28 0.00 -0.41 0.59 3.38 -1.32 -1.98 115.31 115.84 3hx5 h LEU 130 Ca 0.16 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.95 3hx5 h LEU 130 Cb 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3hx5 h LEU 130 CO -0.16 0.57 -0.59 -0.33 0.09 0.00 0.00 178.44 178.02 3hx5 h GLU 131 N 0.00 0.65 0.05 1.13 5.08 -0.78 -0.94 114.58 119.76 3hx5 h GLU 131 Ca -0.01 -0.43 -0.08 0.00 -1.00 0.00 0.00 59.36 57.85 3hx5 h GLU 131 Cb 1.10 0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.41 3hx5 h GLU 131 CO 0.07 1.05 -0.32 1.15 -1.00 0.00 0.00 179.01 179.96 3hx5 h THR 132 N 0.49 1.65 0.00 1.13 2.02 -0.90 -3.39 112.91 113.91 3hx5 h THR 132 Ca -0.00 -2.33 0.00 0.00 0.77 0.00 0.00 66.41 64.85 3hx5 h THR 132 Cb 1.16 3.21 0.00 0.00 -1.74 0.00 0.00 68.15 70.78 3hx5 h THR 132 CO 0.12 0.63 -1.36 1.41 0.37 0.00 0.00 175.52 176.69 3hx5 n HIS 133 N -4.43 0.00 0.00 3.16 8.25 -0.75 -4.85 115.22 116.60 3hx5 n HIS 133 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 3hx5 n HIS 133 Cb 0.60 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.52 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 -1.78 0.00 0.04 4.41 3.72 -1.07 -4.72 117.46 118.06 3hx5 n PHE 134 Ca 0.01 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.29 3hx5 n PHE 134 Cb 0.41 0.07 -0.05 0.00 -0.94 0.00 0.00 39.48 38.96 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 -1.11 -0.79 4.37 3.38 -1.38 -0.26 115.31 119.53 3hx5 h LEU 135 Ca 0.00 0.14 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 3hx5 h LEU 135 Cb 0.85 0.45 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 3hx5 h LEU 135 CO 0.00 -0.41 -0.33 -0.78 0.09 0.00 0.00 178.44 177.02 3hx5 h ASP 136 N -0.49 0.56 -0.91 -0.43 -0.00 -1.84 -2.25 116.42 111.06 3hx5 h ASP 136 Ca 0.07 -0.22 0.04 0.00 -0.00 0.00 0.00 57.03 56.92 3hx5 h ASP 136 Cb 0.60 -0.15 -0.06 0.00 -0.00 0.00 0.00 39.33 39.72 3hx5 h ASP 136 CO -0.32 0.85 0.59 -0.33 -0.00 0.00 0.00 179.24 180.03 3hx5 h GLU 137 N 0.46 1.10 -0.50 0.28 4.39 -1.76 0.28 114.58 118.82 3hx5 h GLU 137 Ca 0.05 -0.07 -0.13 0.00 0.34 0.00 0.00 59.36 59.56 3hx5 h GLU 137 Cb 0.79 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 3hx5 h GLU 137 CO 0.06 0.73 -0.18 0.93 -1.16 0.00 0.00 179.01 179.39 3hx5 h GLU 138 N 1.13 1.01 -0.13 2.33 4.39 -0.78 0.21 114.58 122.73 3hx5 h GLU 138 Ca 0.37 -0.41 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 3hx5 h GLU 138 Cb 0.03 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.63 3hx5 h GLU 138 CO -0.13 1.09 0.01 0.28 -1.16 0.00 0.00 179.01 179.10 3hx5 h VAL 139 N 0.88 1.24 -0.78 3.13 2.07 -0.87 -1.09 116.25 120.82 3hx5 h VAL 139 Ca 0.12 -0.76 0.05 0.00 0.82 0.00 0.00 66.70 66.92 3hx5 h VAL 139 Cb 0.76 1.49 -0.05 0.00 -1.52 0.00 0.00 31.29 31.96 3hx5 h VAL 139 CO 0.06 0.22 0.49 0.11 0.02 0.00 0.00 177.57 178.47 3hx5 h LYS 140 N -0.02 0.89 -0.09 1.57 1.57 -0.89 -1.43 116.57 118.18 3hx5 h LYS 140 Ca 0.04 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3hx5 h LYS 140 Cb 0.33 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 3hx5 h LYS 140 CO 0.00 0.59 0.00 1.25 -0.57 0.00 0.00 179.45 180.73 3hx5 h LEU 141 N 0.92 0.15 -1.44 2.94 5.85 -0.81 -1.87 115.31 121.04 3hx5 h LEU 141 Ca 0.33 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3hx5 h LEU 141 Cb 0.09 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3hx5 h LEU 141 CO -0.14 0.41 0.17 0.40 -0.34 0.00 0.00 178.44 178.94 3hx5 h ILE 142 N -0.12 1.14 -0.17 4.05 2.04 -0.99 -0.52 117.51 122.95 3hx5 h ILE 142 Ca 0.02 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 3hx5 h ILE 142 Cb 0.34 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 3hx5 h ILE 142 CO 0.00 0.17 0.05 0.50 0.00 0.00 0.00 178.15 178.87 3hx5 h LYS 143 N 0.55 0.26 -0.24 2.37 1.63 -1.16 0.10 116.57 120.09 3hx5 h LYS 143 Ca 0.14 -0.06 0.06 0.00 -0.85 0.00 0.00 60.65 59.94 3hx5 h LYS 143 Cb 0.09 -0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 31.62 3hx5 h LYS 143 CO -0.02 0.39 -0.18 -0.22 -3.45 0.00 0.00 179.45 175.98 3hx5 h LYS 144 N 0.09 -0.16 -0.39 1.90 3.64 -0.42 0.49 116.57 121.71 3hx5 h LYS 144 Ca 0.05 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 3hx5 h LYS 144 Cb 0.24 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 3hx5 h LYS 144 CO -0.00 -0.11 0.07 0.52 -2.27 0.00 0.00 179.45 177.66 3hx5 h MET 145 N -0.17 0.59 -0.39 1.90 2.86 -0.92 -0.59 114.93 118.21 3hx5 h MET 145 Ca 0.14 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 3hx5 h MET 145 Cb 0.37 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 3hx5 h MET 145 CO -0.34 0.56 0.21 0.78 1.06 0.00 0.00 176.91 179.18 3hx5 h GLY 146 N 0.82 0.58 1.08 8.32 0.00 0.12 0.44 103.07 114.44 3hx5 h GLY 146 Ca 0.13 -0.26 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 3hx5 h GLY 146 CO 0.00 0.25 0.05 -0.55 0.00 0.00 0.00 176.54 176.29 3hx5 h ASP 147 N 0.49 1.07 -0.17 0.19 3.32 -0.36 -1.97 116.42 118.99 3hx5 h ASP 147 Ca 0.14 -0.28 0.02 0.00 0.02 0.00 0.00 57.03 56.92 3hx5 h ASP 147 Cb 0.06 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 3hx5 h ASP 147 CO -0.02 1.09 0.04 0.45 -1.72 0.00 0.00 179.24 179.08 3hx5 h HIS 148 N 1.02 0.07 -0.67 4.55 3.86 -0.63 -0.96 115.15 122.38 3hx5 h HIS 148 Ca 0.19 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.43 3hx5 h HIS 148 Cb 0.51 -0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.94 3hx5 h HIS 148 CO 0.04 0.03 0.43 -0.07 0.86 0.00 0.00 177.93 179.22 3hx5 h LEU 149 N 0.11 0.74 -0.83 2.43 3.38 -0.77 0.15 115.31 120.52 3hx5 h LEU 149 Ca 0.08 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.07 3hx5 h LEU 149 Cb 0.07 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 3hx5 h LEU 149 CO -0.10 0.52 0.52 0.74 0.09 0.00 0.00 178.44 180.22 3hx5 h THR 150 N 0.87 1.10 -0.06 0.22 2.02 -0.85 -0.84 112.91 115.37 3hx5 h THR 150 Ca 0.25 -0.34 -0.23 0.00 0.77 0.00 0.00 66.41 66.86 3hx5 h THR 150 Cb -0.06 0.01 0.01 0.00 -1.74 0.00 0.00 68.15 66.38 3hx5 h THR 150 CO -0.07 0.18 -0.89 0.78 0.37 0.00 0.00 175.52 175.88 3hx5 h ASN 151 N 1.00 0.80 -0.69 4.18 2.35 -0.67 -2.79 115.58 119.78 3hx5 h ASN 151 Ca 0.34 -0.59 0.01 0.00 -0.55 0.00 0.00 56.30 55.51 3hx5 h ASN 151 Cb 0.05 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.15 3hx5 h ASN 151 CO -0.13 1.38 0.45 -0.07 -1.65 0.00 0.00 177.43 177.41 3hx5 h LEU 152 N 0.40 0.80 -1.82 1.61 3.38 -0.25 -0.72 115.31 118.71 3hx5 h LEU 152 Ca -0.08 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3hx5 h LEU 152 Cb 1.53 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 42.07 3hx5 h LEU 152 CO 0.17 0.59 -0.10 -0.74 0.09 0.00 0.00 178.44 178.45 3hx5 h HIS 153 N 0.93 0.00 0.00 1.13 2.76 -1.19 -2.52 115.15 116.26 3hx5 h HIS 153 Ca 0.25 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 58.24 3hx5 h HIS 153 Cb -0.10 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 28.85 3hx5 h HIS 153 CO -0.02 0.10 -0.86 -0.09 -1.30 0.00 0.00 177.93 175.75 3hx5 h ARG 154 N 0.00 0.08 -2.00 5.26 2.43 -0.85 -3.33 114.38 115.97 3hx5 h ARG 154 Ca -0.00 -0.09 -0.21 0.00 -0.81 0.00 0.00 59.98 58.87 3hx5 h ARG 154 Cb 0.40 0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 29.90 3hx5 h ARG 154 CO 0.01 0.89 -0.32 1.28 -1.51 0.00 0.00 179.97 180.32 3hx5 n LEU 155 N -3.59 5.34 -1.62 3.80 4.77 -0.93 -3.57 117.00 121.20 3hx5 n LEU 155 Ca -0.02 -3.23 -0.00 0.00 -0.03 0.00 0.00 56.01 52.73 3hx5 n LEU 155 Cb 0.81 -1.40 0.01 0.00 -2.33 0.00 0.00 43.42 40.51 3hx5 n LEU 155 CO 0.46 1.68 0.18 0.61 -1.33 0.00 0.00 177.39 178.99 3hx5 n GLY 156 N 2.35 1.04 0.00 -0.72 0.00 -1.25 -5.01 105.19 101.60 3hx5 n GLY 156 Ca 0.42 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.06 1.48 0.14 -0.02 0.00 -1.23 -5.01 105.19 100.61 3hx5 n GLY 157 Ca -0.05 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3hx5 n GLY 157 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hx5 n PRO 158 N 0.00 0.82 -0.21 1.61 -0.04 -1.26 -3.67 135.00 132.24 3hx5 n PRO 158 Ca 0.00 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.52 3hx5 n PRO 158 Cb 0.00 -1.11 0.16 0.00 -0.04 0.00 0.00 33.50 32.50 3hx5 n PRO 158 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3hx5 n GLU 159 N -0.33 2.61 0.00 0.54 1.02 -1.26 -5.18 120.64 118.03 3hx5 n GLU 159 Ca 0.00 -2.31 0.00 0.00 -0.02 0.00 0.00 57.16 54.83 3hx5 n GLU 159 Cb 0.06 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 3hx5 n GLU 159 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31