#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx7 s SER 2 N 0.00 5.88 0.57 7.83 0.01 -1.26 -5.07 113.70 121.66 3hx7 s SER 2 Ca 0.00 -0.08 -0.18 0.00 1.31 0.00 0.00 55.95 57.00 3hx7 s SER 2 Cb 0.00 -1.62 -0.09 0.00 0.21 0.00 0.00 66.02 64.52 3hx7 s SER 2 CO 0.00 -0.02 0.51 -1.20 0.41 0.00 0.00 173.24 172.94 3hx7 n SER 3 N -1.07 -1.09 0.00 2.44 7.64 -1.26 -4.82 113.62 115.46 3hx7 n SER 3 Ca -0.08 0.73 0.09 0.00 1.01 0.00 0.00 58.87 60.62 3hx7 n SER 3 Cb 0.57 -1.17 0.43 0.00 -1.01 0.00 0.00 64.21 63.03 3hx7 n SER 3 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hx7 n GLN 4 N -0.05 0.17 0.00 1.43 10.64 -1.26 -2.69 117.38 125.62 3hx7 n GLN 4 Ca 0.11 0.14 0.04 0.00 -1.83 0.00 0.00 57.00 55.47 3hx7 n GLN 4 Cb 0.48 -1.50 -0.05 0.00 -0.86 0.00 0.00 30.24 28.31 3hx7 n GLN 4 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.06 175.67 3hx7 n ILE 5 N -1.36 0.00 -2.01 -0.39 -5.35 -1.26 -5.03 119.36 103.97 3hx7 n ILE 5 Ca 0.07 -0.31 -0.42 0.00 -0.27 0.00 0.00 62.75 61.83 3hx7 n ILE 5 Cb 0.17 1.00 -0.03 0.00 -1.74 0.00 0.00 39.64 39.04 3hx7 n ILE 5 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3hx7 s ARG 6 N -1.77 4.25 -0.26 6.28 3.52 -1.10 -4.82 118.95 125.06 3hx7 s ARG 6 Ca 0.03 2.28 -0.13 0.00 -0.13 0.00 0.00 55.73 57.78 3hx7 s ARG 6 Cb 0.06 -3.16 0.09 0.00 -1.56 0.00 0.00 34.95 30.38 3hx7 s ARG 6 CO 0.33 -0.51 0.62 -1.14 -0.81 0.00 0.00 175.30 173.80 3hx7 s GLN 7 N 0.66 0.61 -1.47 5.12 0.74 -1.26 -4.94 119.66 119.13 3hx7 s GLN 7 Ca 0.66 1.20 -0.08 0.00 0.05 0.00 0.00 55.36 57.18 3hx7 s GLN 7 Cb -0.42 0.27 0.03 0.00 1.10 0.00 0.00 33.01 33.99 3hx7 s GLN 7 CO 0.35 -0.17 0.82 -1.71 -0.55 0.00 0.00 175.29 174.03 3hx7 n ASN 8 N 4.60 -5.69 -3.85 6.67 5.15 -1.26 -4.97 115.26 115.91 3hx7 n ASN 8 Ca -0.18 -0.45 -0.30 0.00 -0.60 0.00 0.00 54.58 53.05 3hx7 n ASN 8 Cb 0.56 -4.56 -0.15 0.00 -0.53 0.00 0.00 39.78 35.10 3hx7 n ASN 8 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3hx7 s TYR 9 N -3.20 2.60 0.69 1.20 5.04 -1.26 -4.83 117.35 117.59 3hx7 s TYR 9 Ca 0.45 -2.44 -0.14 0.00 -2.44 0.00 0.00 57.07 52.50 3hx7 s TYR 9 Cb -0.21 -2.27 0.02 0.00 0.35 0.00 0.00 41.96 39.84 3hx7 s TYR 9 CO 0.56 -0.87 1.11 -1.54 -1.34 0.00 0.00 175.55 173.48 3hx7 s SER 10 N 0.94 4.90 0.42 4.32 1.04 -1.26 -4.92 113.70 119.14 3hx7 s SER 10 Ca 0.12 1.99 0.21 0.00 0.48 0.00 0.00 55.95 58.76 3hx7 s SER 10 Cb -0.20 -2.55 0.92 0.00 0.10 0.00 0.00 66.02 64.29 3hx7 s SER 10 CO -0.12 -1.77 1.84 0.71 0.98 0.00 0.00 173.24 174.88 3hx7 h THR 11 N -0.24 0.79 -0.47 2.02 1.35 -1.99 -2.46 112.91 111.91 3hx7 h THR 11 Ca -0.46 -1.17 -0.01 0.00 -0.55 0.00 0.00 66.41 64.21 3hx7 h THR 11 Cb 1.25 1.73 -0.02 0.00 -1.73 0.00 0.00 68.15 69.37 3hx7 h THR 11 CO 0.53 0.28 0.24 0.44 -0.25 0.00 0.00 175.52 176.76 3hx7 h ASP 12 N 0.00 0.60 -0.26 5.36 3.32 -1.99 -1.09 116.42 122.36 3hx7 h ASP 12 Ca -0.00 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 56.89 3hx7 h ASP 12 Cb 0.70 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 3hx7 h ASP 12 CO 0.04 0.54 -0.01 0.58 -1.72 0.00 0.00 179.24 178.66 3hx7 h VAL 13 N 0.62 1.26 -0.55 -1.35 2.07 -1.87 -1.58 116.25 114.85 3hx7 h VAL 13 Ca 0.16 -0.95 0.10 0.00 0.82 0.00 0.00 66.70 66.84 3hx7 h VAL 13 Cb 0.08 1.37 -0.08 0.00 -1.52 0.00 0.00 31.29 31.14 3hx7 h VAL 13 CO -0.02 0.30 0.09 -0.08 0.02 0.00 0.00 177.57 177.87 3hx7 h GLU 14 N 0.23 0.21 -0.08 1.57 4.81 -1.20 0.20 114.58 120.33 3hx7 h GLU 14 Ca 0.07 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3hx7 h GLU 14 Cb 0.44 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 3hx7 h GLU 14 CO 0.02 0.14 0.03 0.00 -0.73 0.00 0.00 179.01 178.46 3hx7 h ALA 15 N 1.45 0.10 0.00 2.92 0.00 -1.12 -1.56 119.26 121.05 3hx7 h ALA 15 Ca 0.28 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3hx7 h ALA 15 Cb 0.41 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3hx7 h ALA 15 CO -0.39 -0.30 -0.14 0.00 0.00 0.00 0.00 179.25 178.43 3hx7 h ALA 16 N 0.85 1.41 0.13 0.00 0.00 -0.27 0.99 119.26 122.37 3hx7 h ALA 16 Ca 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3hx7 h ALA 16 Cb 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3hx7 h ALA 16 CO -0.00 0.18 -0.06 0.28 0.00 0.00 0.00 179.25 179.64 3hx7 h VAL 17 N 0.00 1.03 -0.77 0.00 2.07 -0.32 0.18 116.25 118.44 3hx7 h VAL 17 Ca -0.00 -1.02 0.10 0.00 0.82 0.00 0.00 66.70 66.59 3hx7 h VAL 17 Cb 0.33 1.63 -0.07 0.00 -1.52 0.00 0.00 31.29 31.66 3hx7 h VAL 17 CO 0.02 0.23 0.42 0.78 0.02 0.00 0.00 177.57 179.03 3hx7 h ASN 18 N -0.70 0.57 -0.42 0.57 2.35 -0.81 0.16 115.58 117.31 3hx7 h ASN 18 Ca -0.02 0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.70 3hx7 h ASN 18 Cb 0.51 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 3hx7 h ASN 18 CO 0.03 0.32 -0.04 -1.28 -1.65 0.00 0.00 177.43 174.81 3hx7 h SER 19 N 0.70 0.82 0.43 5.81 0.87 -0.75 -2.36 113.55 119.07 3hx7 h SER 19 Ca 0.38 -0.22 -0.13 0.00 -1.23 0.00 0.00 61.79 60.59 3hx7 h SER 19 Cb 0.38 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 3hx7 h SER 19 CO -0.26 0.91 -0.55 0.25 -0.53 0.00 0.00 176.83 176.65 3hx7 h LEU 20 N 0.78 0.14 -0.65 2.23 5.85 0.11 -2.63 115.31 121.13 3hx7 h LEU 20 Ca 0.14 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3hx7 h LEU 20 Cb 0.52 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 3hx7 h LEU 20 CO 0.03 0.66 0.34 0.58 -0.34 0.00 0.00 178.44 179.71 3hx7 h VAL 21 N 0.10 1.21 -0.18 1.05 2.07 -0.36 -1.25 116.25 118.88 3hx7 h VAL 21 Ca -0.00 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 3hx7 h VAL 21 Cb 1.00 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3hx7 h VAL 21 CO 0.08 0.24 0.10 -1.13 0.02 0.00 0.00 177.57 176.88 3hx7 h ASN 22 N 0.89 0.22 -0.41 0.57 -0.73 -1.26 0.18 115.58 115.04 3hx7 h ASN 22 Ca 0.23 -0.08 0.06 0.00 1.87 0.00 0.00 56.30 58.38 3hx7 h ASN 22 Cb 0.07 -0.06 -0.02 0.00 0.27 0.00 0.00 38.32 38.58 3hx7 h ASN 22 CO -0.03 0.24 0.28 0.25 -0.37 0.00 0.00 177.43 177.80 3hx7 h LEU 23 N 0.19 0.26 0.05 0.34 5.85 -1.27 0.24 115.31 120.98 3hx7 h LEU 23 Ca 0.06 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.50 3hx7 h LEU 23 Cb 0.06 -0.06 0.02 0.00 0.37 0.00 0.00 40.66 41.06 3hx7 h LEU 23 CO -0.01 0.17 -1.17 1.88 -0.34 0.00 0.00 178.44 178.97 3hx7 h TYR 24 N 0.30 0.89 -0.57 1.25 -1.99 -0.53 -2.11 116.97 114.21 3hx7 h TYR 24 Ca 0.18 -0.55 -0.02 0.00 2.00 0.00 0.00 58.73 60.35 3hx7 h TYR 24 Cb 0.34 -0.08 -0.03 0.00 2.00 0.00 0.00 36.73 38.96 3hx7 h TYR 24 CO -0.00 1.39 0.29 -0.07 -0.00 0.00 0.00 178.16 179.77 3hx7 h LEU 25 N 0.26 0.72 -0.57 3.88 3.38 0.52 0.02 115.31 123.52 3hx7 h LEU 25 Ca -0.16 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 3hx7 h LEU 25 Cb 1.84 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 42.38 3hx7 h LEU 25 CO 0.22 0.63 0.26 -0.61 0.09 0.00 0.00 178.44 179.02 3hx7 h GLN 26 N 0.76 0.83 -0.68 1.13 4.15 -0.60 -1.31 115.11 119.40 3hx7 h GLN 26 Ca 0.20 -0.13 -0.06 0.00 0.77 0.00 0.00 58.65 59.42 3hx7 h GLN 26 Cb 0.08 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.60 3hx7 h GLN 26 CO -0.03 0.69 0.18 0.00 -1.93 0.00 0.00 178.83 177.75 3hx7 h ALA 27 N 1.10 1.05 -0.33 3.38 0.00 -0.99 0.41 119.26 123.87 3hx7 h ALA 27 Ca 0.19 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.90 3hx7 h ALA 27 Cb 0.15 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3hx7 h ALA 27 CO -0.02 0.63 0.15 1.03 0.00 0.00 0.00 179.25 181.04 3hx7 h SER 28 N 1.01 0.21 0.30 0.00 0.87 -0.54 -1.21 113.55 114.20 3hx7 h SER 28 Ca 0.22 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.80 3hx7 h SER 28 Cb 0.33 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 3hx7 h SER 28 CO -0.00 0.16 -0.29 0.22 -0.53 0.00 0.00 176.83 176.39 3hx7 h TYR 29 N 0.32 -0.77 -0.98 2.24 3.20 -0.63 -0.68 116.97 119.67 3hx7 h TYR 29 Ca 0.14 0.00 0.20 0.00 3.14 0.00 0.00 58.73 62.21 3hx7 h TYR 29 Cb 0.07 0.30 -0.11 0.00 1.54 0.00 0.00 36.73 38.53 3hx7 h TYR 29 CO -0.11 -0.42 0.58 1.15 -1.64 0.00 0.00 178.16 177.72 3hx7 h THR 30 N -0.62 0.66 -0.28 1.81 2.02 -0.61 0.12 112.91 116.02 3hx7 h THR 30 Ca -0.01 -0.24 -0.12 0.00 0.77 0.00 0.00 66.41 66.80 3hx7 h THR 30 Cb 0.56 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 3hx7 h THR 30 CO -0.05 0.13 -0.34 1.88 0.37 0.00 0.00 175.52 177.51 3hx7 h TYR 31 N 0.70 0.71 -0.75 3.16 0.05 -0.45 -1.07 116.97 119.32 3hx7 h TYR 31 Ca 0.58 -0.19 0.00 0.00 0.05 0.00 0.00 58.73 59.17 3hx7 h TYR 31 Cb 0.95 -0.16 -0.04 0.00 1.01 0.00 0.00 36.73 38.49 3hx7 h TYR 31 CO -0.02 0.87 0.47 1.25 -1.05 0.00 0.00 178.16 179.68 3hx7 h LEU 32 N 0.52 0.89 0.60 3.88 5.85 0.48 0.45 115.31 127.97 3hx7 h LEU 32 Ca 0.06 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 3hx7 h LEU 32 Cb 0.83 -0.22 0.01 0.00 0.37 0.00 0.00 40.66 41.64 3hx7 h LEU 32 CO 0.07 0.67 -0.29 -1.28 -0.34 0.00 0.00 178.44 177.27 3hx7 h SER 33 N 1.03 -0.68 -0.98 1.25 0.87 -0.99 -2.22 113.55 111.83 3hx7 h SER 33 Ca 0.27 -0.03 0.22 0.00 -1.23 0.00 0.00 61.79 61.03 3hx7 h SER 33 Cb -0.07 0.18 -0.09 0.00 -0.44 0.00 0.00 62.40 61.98 3hx7 h SER 33 CO -0.05 -0.37 0.63 -0.07 -0.53 0.00 0.00 176.83 176.43 3hx7 h LEU 34 N -0.99 0.53 0.15 2.23 3.38 -0.93 -0.70 115.31 118.98 3hx7 h LEU 34 Ca -0.08 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3hx7 h LEU 34 Cb 0.67 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3hx7 h LEU 34 CO 0.14 0.17 -0.07 1.23 0.09 0.00 0.00 178.44 180.00 3hx7 h GLY 35 N 0.51 -0.20 2.00 0.83 0.00 0.18 -3.00 103.07 103.39 3hx7 h GLY 35 Ca 0.54 0.08 -0.08 0.00 0.00 0.00 0.00 47.33 47.87 3hx7 h GLY 35 CO -0.27 -0.07 -0.39 0.74 0.00 0.00 0.00 176.54 176.54 3hx7 h PHE 36 N -0.30 0.00 0.19 5.60 -1.00 -0.68 -3.16 116.94 117.58 3hx7 h PHE 36 Ca -0.02 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.75 3hx7 h PHE 36 Cb 0.24 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.80 3hx7 h PHE 36 CO -0.04 0.39 -0.09 -0.92 -1.61 0.00 0.00 178.31 176.04 3hx7 h TYR 37 N 0.00 -0.23 0.00 -0.55 3.20 -1.11 -1.27 116.97 117.01 3hx7 h TYR 37 Ca -0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 3hx7 h TYR 37 Cb 0.96 0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.31 3hx7 h TYR 37 CO 0.00 -0.12 0.00 1.19 -1.64 0.00 0.00 178.16 177.59 3hx7 n PHE 38 N -5.18 0.32 0.53 -3.82 3.72 -1.14 -1.04 117.46 110.85 3hx7 n PHE 38 Ca -0.09 0.15 0.12 0.00 -0.05 0.00 0.00 57.45 57.58 3hx7 n PHE 38 Cb 0.14 -0.73 0.18 0.00 -0.94 0.00 0.00 39.48 38.12 3hx7 n PHE 38 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 3hx7 h ASP 39 N 0.00 0.00 -3.20 4.37 -0.00 -1.22 -2.12 116.42 114.26 3hx7 h ASP 39 Ca 0.00 -0.17 -0.54 0.00 -0.00 0.00 0.00 57.03 56.31 3hx7 h ASP 39 Cb 0.15 0.00 0.09 0.00 -0.00 0.00 0.00 39.33 39.57 3hx7 h ASP 39 CO 0.00 0.09 0.83 0.54 -0.00 0.00 0.00 179.24 180.70 3hx7 n ARG 40 N -2.19 2.59 0.14 0.28 1.74 -0.20 -4.68 116.66 114.33 3hx7 n ARG 40 Ca 0.03 0.92 0.19 0.00 -0.77 0.00 0.00 57.85 58.23 3hx7 n ARG 40 Cb 0.45 -2.68 0.75 0.00 -1.02 0.00 0.00 32.46 29.96 3hx7 n ARG 40 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 3hx7 h ASP 41 N 4.62 0.00 0.19 0.55 2.03 -1.90 0.19 116.42 122.09 3hx7 h ASP 41 Ca -0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 3hx7 h ASP 41 Cb 1.23 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.73 3hx7 h ASP 41 CO 0.78 0.00 -0.11 -0.90 -1.03 0.00 0.00 179.24 177.98 3hx7 n ASP 42 N -3.55 0.88 -0.04 4.15 3.85 -1.26 -4.06 116.55 116.52 3hx7 n ASP 42 Ca 0.06 -0.96 -0.09 0.00 -0.71 0.00 0.00 54.79 53.08 3hx7 n ASP 42 Cb 0.59 0.02 -0.03 0.00 -1.35 0.00 0.00 41.12 40.34 3hx7 n ASP 42 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 3hx7 n VAL 43 N -0.56 1.06 -3.75 2.12 0.31 0.13 -5.07 118.33 112.58 3hx7 n VAL 43 Ca 0.16 0.06 -0.34 0.00 -0.01 0.00 0.00 64.34 64.21 3hx7 n VAL 43 Cb 0.30 -1.83 0.04 0.00 -0.91 0.00 0.00 33.84 31.45 3hx7 n VAL 43 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hx7 n ALA 44 N -3.79 -2.58 -3.71 3.52 0.00 0.43 -4.99 120.51 109.40 3hx7 n ALA 44 Ca -0.16 -0.31 -0.28 0.00 0.00 0.00 0.00 53.44 52.69 3hx7 n ALA 44 Cb 0.46 -3.66 -0.12 0.00 0.00 0.00 0.00 19.45 16.13 3hx7 n ALA 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hx7 s LEU 45 N -6.56 3.43 0.28 0.00 1.43 -0.80 -4.96 118.68 111.50 3hx7 s LEU 45 Ca 0.45 -3.44 0.02 0.00 -1.03 0.00 0.00 54.13 50.13 3hx7 s LEU 45 Cb -0.18 -1.17 0.64 0.00 0.03 0.00 0.00 46.19 45.52 3hx7 s LEU 45 CO 0.88 -0.14 1.72 -0.08 0.23 0.00 0.00 176.35 178.97 3hx7 h GLU 46 N 5.65 0.46 0.02 1.70 4.81 -1.94 -1.04 114.58 124.24 3hx7 h GLU 46 Ca 0.16 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3hx7 h GLU 46 Cb 0.83 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 3hx7 h GLU 46 CO 0.57 0.30 -0.03 0.78 -0.73 0.00 0.00 179.01 179.91 3hx7 h GLY 47 N 0.47 -0.89 0.68 1.92 0.00 -1.95 -0.92 103.07 102.39 3hx7 h GLY 47 Ca 0.52 0.38 0.15 0.00 0.00 0.00 0.00 47.33 48.39 3hx7 h GLY 47 CO -0.47 -0.33 0.50 -2.08 0.00 0.00 0.00 176.54 174.16 3hx7 h VAL 48 N -0.05 0.78 0.04 4.60 2.07 -1.88 -1.59 116.25 120.22 3hx7 h VAL 48 Ca -0.00 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 3hx7 h VAL 48 Cb 0.05 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 3hx7 h VAL 48 CO -0.01 0.07 -0.02 -1.28 0.02 0.00 0.00 177.57 176.35 3hx7 h SER 49 N 0.36 -0.05 -0.78 0.57 0.87 -0.88 -2.61 113.55 111.03 3hx7 h SER 49 Ca 0.36 -0.14 0.04 0.00 -1.23 0.00 0.00 61.79 60.82 3hx7 h SER 49 Cb 0.90 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.83 3hx7 h SER 49 CO -0.11 0.11 0.51 -0.74 -0.53 0.00 0.00 176.83 176.08 3hx7 h HIS 50 N -0.21 0.92 0.54 2.24 6.17 -0.22 -0.23 115.15 124.37 3hx7 h HIS 50 Ca -0.01 0.02 -0.02 0.00 0.71 0.00 0.00 60.37 61.08 3hx7 h HIS 50 Cb 0.19 -0.31 -0.02 0.00 2.52 0.00 0.00 27.41 29.79 3hx7 h HIS 50 CO -0.03 0.53 -0.51 0.35 0.71 0.00 0.00 177.93 178.99 3hx7 h PHE 51 N 0.95 -1.41 -0.12 5.26 3.57 -1.15 -1.85 116.94 122.20 3hx7 h PHE 51 Ca 0.31 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.76 3hx7 h PHE 51 Cb 0.06 0.54 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 3hx7 h PHE 51 CO -0.00 -0.69 -0.18 0.74 -2.23 0.00 0.00 178.31 175.95 3hx7 h PHE 52 N -1.04 0.20 -0.57 0.41 -1.00 -1.07 -1.85 116.94 112.01 3hx7 h PHE 52 Ca -0.07 -0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.68 3hx7 h PHE 52 Cb 0.90 -0.06 -0.03 0.00 3.61 0.00 0.00 35.95 40.37 3hx7 h PHE 52 CO -0.24 0.37 0.34 0.00 -1.61 0.00 0.00 178.31 177.17 3hx7 h ARG 53 N 0.18 0.78 0.04 1.51 3.08 -0.76 -1.16 114.38 118.04 3hx7 h ARG 53 Ca 0.03 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 3hx7 h ARG 53 Cb 0.44 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3hx7 h ARG 53 CO 0.03 0.56 -0.02 0.93 -1.07 0.00 0.00 179.97 180.40 3hx7 h GLU 54 N 0.77 -0.06 -0.84 0.04 5.08 -0.84 -2.18 114.58 116.56 3hx7 h GLU 54 Ca 0.20 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.78 3hx7 h GLU 54 Cb -0.01 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 3hx7 h GLU 54 CO -0.04 0.11 0.58 -0.07 -1.00 0.00 0.00 179.01 178.59 3hx7 h LEU 55 N -0.22 0.21 -0.55 1.33 3.38 -1.09 0.49 115.31 118.85 3hx7 h LEU 55 Ca -0.01 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3hx7 h LEU 55 Cb 0.20 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3hx7 h LEU 55 CO 0.01 0.08 0.17 0.00 0.09 0.00 0.00 178.44 178.79 3hx7 h ALA 56 N 1.61 0.72 0.00 1.53 0.00 -0.59 -2.09 119.26 120.45 3hx7 h ALA 56 Ca 0.42 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 3hx7 h ALA 56 Cb 1.31 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3hx7 h ALA 56 CO -0.09 0.39 -0.38 1.49 0.00 0.00 0.00 179.25 180.66 3hx7 h GLU 57 N 0.77 0.00 -0.17 0.00 4.57 0.27 -2.27 114.58 117.75 3hx7 h GLU 57 Ca 0.18 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.23 3hx7 h GLU 57 Cb 0.29 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 3hx7 h GLU 57 CO -0.00 0.38 -0.38 0.93 -1.18 0.00 0.00 179.01 178.75 3hx7 h GLU 58 N 0.00 0.55 0.00 1.92 5.08 -0.76 -1.84 114.58 119.54 3hx7 h GLU 58 Ca -0.00 -0.37 -0.04 0.00 -1.00 0.00 0.00 59.36 57.95 3hx7 h GLU 58 Cb 0.75 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 3hx7 h GLU 58 CO 0.05 0.98 -0.17 0.87 -1.00 0.00 0.00 179.01 179.75 3hx7 h LYS 59 N 0.19 0.00 -0.03 2.33 1.79 -1.21 0.35 116.57 119.99 3hx7 h LYS 59 Ca -0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 3hx7 h LYS 59 Cb 0.99 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.63 3hx7 h LYS 59 CO 0.08 0.17 0.00 -0.09 -1.08 0.00 0.00 179.45 178.53 3hx7 h ARG 60 N 0.00 0.06 -0.45 3.15 2.43 -1.15 -1.99 114.38 116.42 3hx7 h ARG 60 Ca -0.00 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3hx7 h ARG 60 Cb 0.32 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 3hx7 h ARG 60 CO 0.02 0.35 0.30 0.93 -1.51 0.00 0.00 179.97 180.06 3hx7 h GLU 61 N -0.24 0.56 0.47 0.20 5.08 -0.70 -0.81 114.58 119.15 3hx7 h GLU 61 Ca 0.01 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3hx7 h GLU 61 Cb 0.32 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3hx7 h GLU 61 CO 0.00 0.37 -0.23 0.78 -1.00 0.00 0.00 179.01 178.94 3hx7 h GLY 62 N 0.58 -0.66 2.00 -3.84 0.00 -0.52 0.24 103.07 100.86 3hx7 h GLY 62 Ca 0.17 0.25 -0.10 0.00 0.00 0.00 0.00 47.33 47.65 3hx7 h GLY 62 CO -0.04 -0.24 -0.46 0.10 0.00 0.00 0.00 176.54 175.90 3hx7 h TYR 63 N -0.69 0.00 -0.45 5.60 -0.00 -1.12 -1.42 116.97 118.88 3hx7 h TYR 63 Ca -0.06 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 58.58 3hx7 h TYR 63 Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.23 3hx7 h TYR 63 CO -0.03 0.46 -0.05 0.93 -0.00 0.00 0.00 178.16 179.47 3hx7 h GLU 64 N 0.00 0.77 -0.23 0.10 5.08 -1.04 -0.87 114.58 118.39 3hx7 h GLU 64 Ca -0.00 -0.23 -0.11 0.00 -1.00 0.00 0.00 59.36 58.02 3hx7 h GLU 64 Cb 0.96 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 3hx7 h GLU 64 CO 0.06 0.81 -0.29 -0.09 -1.00 0.00 0.00 179.01 178.51 3hx7 h ARG 65 N 0.71 0.60 -0.99 2.33 2.43 -0.57 -2.50 114.38 116.39 3hx7 h ARG 65 Ca 0.13 -0.34 0.02 0.00 -0.81 0.00 0.00 59.98 58.98 3hx7 h ARG 65 Cb 0.51 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.03 3hx7 h ARG 65 CO 0.03 0.94 0.65 -0.07 -1.51 0.00 0.00 179.97 180.01 3hx7 h LEU 66 N 0.30 1.11 -0.40 3.80 3.38 -0.98 -1.85 115.31 120.66 3hx7 h LEU 66 Ca 0.03 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 3hx7 h LEU 66 Cb 0.86 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3hx7 h LEU 66 CO 0.07 0.79 -0.22 -0.07 0.09 0.00 0.00 178.44 179.10 3hx7 h LEU 67 N 1.30 0.88 -0.59 1.67 3.38 -1.11 -0.23 115.31 120.61 3hx7 h LEU 67 Ca 0.37 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 57.95 3hx7 h LEU 67 Cb -0.10 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.37 3hx7 h LEU 67 CO -0.09 1.10 0.36 0.11 0.09 0.00 0.00 178.44 180.01 3hx7 h LYS 68 N 0.66 0.70 -0.55 1.13 1.57 -1.17 -0.78 116.57 118.12 3hx7 h LYS 68 Ca 0.09 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.73 3hx7 h LYS 68 Cb 0.78 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 3hx7 h LYS 68 CO 0.06 0.46 -0.01 1.98 -0.57 0.00 0.00 179.45 181.38 3hx7 h MET 69 N 0.72 0.98 -0.42 3.15 4.05 -1.19 -1.08 114.93 121.15 3hx7 h MET 69 Ca 0.24 -0.32 0.06 0.00 -0.28 0.00 0.00 59.70 59.40 3hx7 h MET 69 Cb 0.01 -0.09 -0.06 0.00 -0.80 0.00 0.00 31.60 30.67 3hx7 h MET 69 CO -0.10 0.99 0.09 0.37 0.23 0.00 0.00 176.91 178.49 3hx7 h GLN 70 N 0.87 0.21 -0.49 0.39 5.75 -0.51 -0.68 115.11 120.65 3hx7 h GLN 70 Ca 0.16 -0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.59 3hx7 h GLN 70 Cb 0.55 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.03 3hx7 h GLN 70 CO 0.03 0.14 0.10 -0.91 -2.65 0.00 0.00 178.83 175.54 3hx7 h ASN 71 N 0.22 0.76 -0.64 -0.69 4.21 -0.83 0.22 115.58 118.83 3hx7 h ASN 71 Ca 0.20 -0.24 -0.02 0.00 1.21 0.00 0.00 56.30 57.45 3hx7 h ASN 71 Cb 0.25 -0.20 -0.03 0.00 -1.12 0.00 0.00 38.32 37.21 3hx7 h ASN 71 CO -0.26 0.81 0.33 1.56 -1.29 0.00 0.00 177.43 178.58 3hx7 h GLN 72 N 0.68 0.93 0.00 0.81 4.20 -0.66 -1.26 115.11 119.81 3hx7 h GLN 72 Ca 0.15 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3hx7 h GLN 72 Cb 0.36 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.96 3hx7 h GLN 72 CO 0.00 0.71 0.00 0.54 -0.67 0.00 0.00 178.83 179.41 3hx7 n ARG 73 N -4.35 0.19 -0.13 1.46 5.12 -0.31 -4.89 116.66 113.75 3hx7 n ARG 73 Ca 0.06 0.24 0.00 0.00 -1.93 0.00 0.00 57.85 56.22 3hx7 n ARG 73 Cb 0.12 -1.76 0.00 0.00 -1.16 0.00 0.00 32.46 29.66 3hx7 n ARG 73 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hx7 n GLY 74 N 0.94 0.80 3.72 -0.13 0.00 -0.47 -4.10 105.19 105.94 3hx7 n GLY 74 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 3hx7 n GLY 74 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hx7 s GLY 75 N -1.69 1.62 -0.10 -0.02 0.00 0.73 -4.36 107.32 103.49 3hx7 s GLY 75 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.91 3hx7 s GLY 75 CO 0.00 -0.07 -0.10 0.50 0.00 0.00 0.00 173.10 173.43 3hx7 s ARG 76 N -5.41 1.67 0.25 2.90 1.81 -1.26 -4.39 118.95 114.52 3hx7 s ARG 76 Ca 0.69 -0.34 -0.30 0.00 -1.72 0.00 0.00 55.73 54.07 3hx7 s ARG 76 Cb -0.11 -1.60 -0.10 0.00 -0.45 0.00 0.00 34.95 32.69 3hx7 s ARG 76 CO 0.55 -0.18 1.37 0.00 -0.68 0.00 0.00 175.30 176.35 3hx7 s ALA 77 N 1.40 3.57 -0.21 2.13 0.00 -1.26 -4.97 121.76 122.41 3hx7 s ALA 77 Ca -0.00 1.24 -0.02 0.00 0.00 0.00 0.00 51.96 53.17 3hx7 s ALA 77 Cb -0.13 -3.51 0.07 0.00 0.00 0.00 0.00 23.12 19.54 3hx7 s ALA 77 CO -0.05 -0.65 0.04 -0.51 0.00 0.00 0.00 175.76 174.59 3hx7 s LEU 78 N -0.58 1.36 0.50 0.00 1.43 -1.26 -5.15 118.68 114.98 3hx7 s LEU 78 Ca 0.56 -0.96 -0.05 0.00 -1.03 0.00 0.00 54.13 52.65 3hx7 s LEU 78 Cb -0.40 -0.65 -0.03 0.00 0.03 0.00 0.00 46.19 45.15 3hx7 s LEU 78 CO 0.43 -0.32 0.80 -0.36 0.23 0.00 0.00 176.35 177.13 3hx7 s PHE 79 N 1.81 3.48 0.12 0.29 0.08 -1.26 -4.84 117.98 117.67 3hx7 s PHE 79 Ca 0.01 0.74 -0.03 0.00 0.12 0.00 0.00 56.93 57.77 3hx7 s PHE 79 Cb -0.17 -2.38 -0.03 0.00 -0.57 0.00 0.00 43.02 39.86 3hx7 s PHE 79 CO -0.11 -0.39 0.10 -0.65 -0.10 0.00 0.00 175.22 174.07 3hx7 s GLN 80 N -4.78 0.92 0.42 0.44 -1.52 -1.26 -5.13 119.66 108.74 3hx7 s GLN 80 Ca 0.49 -1.31 -0.25 0.00 -1.95 0.00 0.00 55.36 52.34 3hx7 s GLN 80 Cb -0.10 0.27 -0.10 0.00 -0.22 0.00 0.00 33.01 32.86 3hx7 s GLN 80 CO 0.44 -0.27 1.15 -0.25 -0.25 0.00 0.00 175.29 176.11 3hx7 n ASP 81 N -0.08 1.93 -4.41 5.90 10.43 -1.26 -4.93 116.55 124.13 3hx7 n ASP 81 Ca -0.08 1.08 -0.44 0.00 2.57 0.00 0.00 54.79 57.92 3hx7 n ASP 81 Cb 0.63 -1.43 -0.08 0.00 1.84 0.00 0.00 41.12 42.08 3hx7 n ASP 81 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3hx7 s ILE 82 N -1.23 5.22 0.41 0.53 1.01 -1.26 -5.05 121.20 120.84 3hx7 s ILE 82 Ca 0.62 -0.91 -0.25 0.00 0.00 0.00 0.00 60.65 60.11 3hx7 s ILE 82 Cb -0.54 -4.08 -0.10 0.00 0.01 0.00 0.00 42.46 37.75 3hx7 s ILE 82 CO 0.57 -0.51 1.19 1.17 0.00 0.00 0.00 174.94 177.36 3hx7 n LYS 83 N 5.25 1.76 -2.00 2.79 4.81 -1.26 -4.96 118.16 124.54 3hx7 n LYS 83 Ca -0.12 0.63 -0.32 0.00 -0.87 0.00 0.00 58.31 57.63 3hx7 n LYS 83 Cb 0.45 -2.27 0.01 0.00 0.02 0.00 0.00 35.03 33.24 3hx7 n LYS 83 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 3hx7 s LYS 84 N -2.12 3.39 0.92 1.64 -2.85 -1.26 -4.84 119.74 114.62 3hx7 s LYS 84 Ca 0.61 1.06 -0.14 0.00 -1.00 0.00 0.00 55.97 56.50 3hx7 s LYS 84 Cb -0.53 -2.05 -0.02 0.00 -2.06 0.00 0.00 37.83 33.17 3hx7 s LYS 84 CO 0.58 -0.74 0.13 -2.30 0.10 0.00 0.00 175.35 173.11 3hx7 n PRO 85 N -2.24 -0.14 -0.01 1.78 -0.02 -1.26 -4.87 135.00 128.24 3hx7 n PRO 85 Ca 0.08 -0.01 0.12 0.00 -2.02 0.00 0.00 63.50 61.67 3hx7 n PRO 85 Cb 0.53 -1.63 0.68 0.00 -0.02 0.00 0.00 33.50 33.06 3hx7 n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hx7 n ALA 86 N -3.13 2.63 -3.14 3.55 0.00 -1.26 -4.85 120.51 114.31 3hx7 n ALA 86 Ca 0.05 -0.21 -0.09 0.00 0.00 0.00 0.00 53.44 53.19 3hx7 n ALA 86 Cb 0.53 -1.35 -0.05 0.00 0.00 0.00 0.00 19.45 18.59 3hx7 n ALA 86 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3hx7 s GLU 87 N -1.98 1.39 -0.03 0.00 0.41 -1.26 -5.03 118.70 112.20 3hx7 s GLU 87 Ca 0.36 -1.07 0.03 0.00 -0.41 0.00 0.00 54.97 53.89 3hx7 s GLU 87 Cb 0.17 0.47 -0.04 0.00 -1.78 0.00 0.00 34.13 32.95 3hx7 s GLU 87 CO 0.28 -0.57 0.02 -0.25 -0.49 0.00 0.00 175.26 174.26 3hx7 n ASP 88 N -0.33 4.17 -4.18 -0.19 8.00 -1.26 -4.95 116.55 117.82 3hx7 n ASP 88 Ca -0.07 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.13 3hx7 n ASP 88 Cb 0.62 0.68 -0.17 0.00 -0.02 0.00 0.00 41.12 42.24 3hx7 n ASP 88 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hx7 s GLU 89 N -2.11 2.80 0.00 -1.24 2.02 -1.26 -4.96 118.70 113.95 3hx7 s GLU 89 Ca -0.02 -0.79 0.23 0.00 0.02 0.00 0.00 54.97 54.41 3hx7 s GLU 89 Cb 0.01 -2.16 0.21 0.00 0.10 0.00 0.00 34.13 32.29 3hx7 s GLU 89 CO 0.14 0.12 1.24 0.91 0.02 0.00 0.00 175.26 177.69 3hx7 n TRP 90 N 3.68 0.06 -3.58 1.61 7.02 -1.26 -5.08 117.44 119.88 3hx7 n TRP 90 Ca -0.20 -0.03 0.00 0.00 -1.02 0.00 0.00 57.50 56.25 3hx7 n TRP 90 Cb 0.53 -0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.41 3hx7 n TRP 90 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3hx7 n GLY 91 N 1.30 0.16 3.95 6.99 0.00 -1.26 -3.83 105.19 112.50 3hx7 n GLY 91 Ca 0.14 -1.07 -0.23 0.00 0.00 0.00 0.00 46.02 44.85 3hx7 n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hx7 s LYS 92 N 0.00 3.04 0.24 1.61 1.02 -1.26 -4.91 119.74 119.48 3hx7 s LYS 92 Ca 0.00 -0.41 -0.05 0.00 0.02 0.00 0.00 55.97 55.52 3hx7 s LYS 92 Cb 0.00 -2.51 0.46 0.00 -0.52 0.00 0.00 37.83 35.26 3hx7 s LYS 92 CO 0.00 -0.35 1.68 1.15 -0.92 0.00 0.00 175.35 176.91 3hx7 h THR 93 N 0.30 0.49 -0.91 2.17 2.02 -1.99 -1.01 112.91 113.98 3hx7 h THR 93 Ca -0.46 -0.08 0.05 0.00 0.77 0.00 0.00 66.41 66.69 3hx7 h THR 93 Cb 1.25 0.23 -0.06 0.00 -1.74 0.00 0.00 68.15 67.84 3hx7 h THR 93 CO 0.58 0.04 0.59 -0.65 0.37 0.00 0.00 175.52 176.45 3hx7 h PRO 94 N 0.24 1.04 -0.22 6.66 0.11 -1.96 0.33 132.00 138.20 3hx7 h PRO 94 Ca 0.41 -0.06 -0.17 0.00 0.11 0.00 0.00 66.00 66.29 3hx7 h PRO 94 Cb 0.71 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.58 3hx7 h PRO 94 CO -0.53 0.69 -0.57 -0.44 -0.21 0.00 0.00 178.00 176.94 3hx7 h ASP 95 N 1.07 0.76 -0.32 -2.05 5.19 -1.53 -0.49 116.42 119.05 3hx7 h ASP 95 Ca 0.38 -0.41 -0.04 0.00 -0.62 0.00 0.00 57.03 56.33 3hx7 h ASP 95 Cb 0.12 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.40 3hx7 h ASP 95 CO -0.13 1.17 0.03 0.00 -3.12 0.00 0.00 179.24 177.18 3hx7 h ALA 96 N 0.85 0.43 -0.04 3.45 0.00 -0.52 -1.57 119.26 121.85 3hx7 h ALA 96 Ca 0.01 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.70 3hx7 h ALA 96 Cb 1.14 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3hx7 h ALA 96 CO 0.11 0.15 0.00 1.98 0.00 0.00 0.00 179.25 181.50 3hx7 h MET 97 N 0.36 0.01 -0.50 0.00 -1.53 -0.21 -0.14 114.93 112.93 3hx7 h MET 97 Ca 0.09 -0.00 0.07 0.00 -3.44 0.00 0.00 59.70 56.42 3hx7 h MET 97 Cb 0.40 -0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.41 3hx7 h MET 97 CO 0.01 0.01 0.33 0.87 0.14 0.00 0.00 176.91 178.28 3hx7 h LYS 98 N 0.01 0.39 -0.31 0.39 1.57 -0.98 0.12 116.57 117.77 3hx7 h LYS 98 Ca 0.02 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 3hx7 h LYS 98 Cb 0.02 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3hx7 h LYS 98 CO -0.03 0.26 -0.01 0.00 -0.57 0.00 0.00 179.45 179.10 3hx7 h ALA 99 N 1.73 0.41 -0.13 3.86 0.00 -0.29 -1.49 119.26 123.35 3hx7 h ALA 99 Ca 0.22 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hx7 h ALA 99 Cb 0.35 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3hx7 h ALA 99 CO -0.06 0.18 0.06 0.00 0.00 0.00 0.00 179.25 179.43 3hx7 h ALA 100 N 0.83 0.17 -0.25 0.00 0.00 0.77 -1.90 119.26 118.87 3hx7 h ALA 100 Ca 0.08 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hx7 h ALA 100 Cb 0.46 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3hx7 h ALA 100 CO 0.02 -0.26 0.13 1.98 0.00 0.00 0.00 179.25 181.12 3hx7 h MET 101 N 0.07 0.26 -0.10 0.00 -1.53 -0.80 0.37 114.93 113.20 3hx7 h MET 101 Ca 0.04 -0.02 0.03 0.00 -3.44 0.00 0.00 59.70 56.32 3hx7 h MET 101 Cb 0.15 -0.06 -0.00 0.00 -0.55 0.00 0.00 31.60 31.13 3hx7 h MET 101 CO -0.00 0.17 0.08 0.00 0.14 0.00 0.00 176.91 177.29 3hx7 h ALA 102 N 1.12 2.05 -0.15 0.39 0.00 -1.17 0.02 119.26 121.53 3hx7 h ALA 102 Ca 0.10 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 3hx7 h ALA 102 Cb 0.02 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.82 3hx7 h ALA 102 CO -0.06 -0.13 -0.52 1.25 0.00 0.00 0.00 179.25 179.79 3hx7 h LEU 103 N 0.00 0.71 -0.22 0.00 5.85 -0.34 -2.81 115.31 118.50 3hx7 h LEU 103 Ca 0.05 -0.61 -0.03 0.00 0.84 0.00 0.00 57.88 58.13 3hx7 h LEU 103 Cb 0.20 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 3hx7 h LEU 103 CO -0.00 1.19 0.01 -0.33 -0.34 0.00 0.00 178.44 178.98 3hx7 h GLU 104 N 0.26 0.38 -0.70 1.25 4.39 -0.03 -1.99 114.58 118.14 3hx7 h GLU 104 Ca -0.02 -0.12 0.12 0.00 0.34 0.00 0.00 59.36 59.68 3hx7 h GLU 104 Cb 1.14 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.71 3hx7 h GLU 104 CO 0.11 0.56 0.47 0.87 -1.16 0.00 0.00 179.01 179.85 3hx7 h LYS 105 N 0.16 0.45 -0.10 2.33 1.57 -1.06 0.46 116.57 120.38 3hx7 h LYS 105 Ca 0.06 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 3hx7 h LYS 105 Cb 0.38 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 3hx7 h LYS 105 CO 0.01 0.30 -0.06 -0.22 -0.57 0.00 0.00 179.45 178.91 3hx7 h LYS 106 N 0.46 0.21 -0.32 3.15 3.64 -1.21 0.55 116.57 123.05 3hx7 h LYS 106 Ca 0.33 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 3hx7 h LYS 106 Cb 0.67 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 3hx7 h LYS 106 CO -0.11 0.58 0.21 -0.07 -2.27 0.00 0.00 179.45 177.79 3hx7 h LEU 107 N -0.17 0.37 -0.11 5.20 3.38 -0.48 -0.84 115.31 122.67 3hx7 h LEU 107 Ca 0.02 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3hx7 h LEU 107 Cb 0.52 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 3hx7 h LEU 107 CO 0.02 0.28 -0.10 -1.13 0.09 0.00 0.00 178.44 177.59 3hx7 h ASN 108 N 0.42 -0.32 -0.07 -0.43 -1.24 0.00 0.68 115.58 114.63 3hx7 h ASN 108 Ca 0.12 0.07 0.02 0.00 0.71 0.00 0.00 56.30 57.21 3hx7 h ASN 108 Cb -0.03 0.16 -0.00 0.00 0.73 0.00 0.00 38.32 39.18 3hx7 h ASN 108 CO -0.02 -0.14 0.05 -0.61 -1.29 0.00 0.00 177.43 175.42 3hx7 h GLN 109 N -0.12 0.00 -0.14 6.67 5.75 -0.59 0.48 115.11 127.16 3hx7 h GLN 109 Ca 0.08 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.51 3hx7 h GLN 109 Cb 0.24 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.78 3hx7 h GLN 109 CO -0.19 0.00 -0.17 0.00 -2.65 0.00 0.00 178.83 175.82 3hx7 h ALA 110 N 1.96 0.21 -0.47 3.38 0.00 0.52 -2.10 119.26 122.76 3hx7 h ALA 110 Ca 0.03 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.64 3hx7 h ALA 110 Cb 0.13 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3hx7 h ALA 110 CO -0.00 0.12 0.22 -0.07 0.00 0.00 0.00 179.25 179.53 3hx7 h LEU 111 N -0.01 0.30 -0.53 0.00 3.38 0.84 0.14 115.31 119.44 3hx7 h LEU 111 Ca 0.02 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3hx7 h LEU 111 Cb 0.72 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 3hx7 h LEU 111 CO 0.04 0.21 0.35 -0.07 0.09 0.00 0.00 178.44 179.06 3hx7 h LEU 112 N 0.44 0.61 -0.88 1.67 3.38 -0.97 0.26 115.31 119.82 3hx7 h LEU 112 Ca 0.21 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 3hx7 h LEU 112 Cb 0.14 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3hx7 h LEU 112 CO -0.16 0.45 0.44 0.44 0.09 0.00 0.00 178.44 179.70 3hx7 h ASP 113 N 0.72 1.12 -0.55 -0.43 3.45 -0.62 0.21 116.42 120.32 3hx7 h ASP 113 Ca 0.19 -0.12 -0.07 0.00 0.43 0.00 0.00 57.03 57.46 3hx7 h ASP 113 Cb -0.08 -0.29 -0.02 0.00 -0.56 0.00 0.00 39.33 38.39 3hx7 h ASP 113 CO -0.04 0.93 0.09 0.25 -1.57 0.00 0.00 179.24 178.89 3hx7 h LEU 114 N 1.24 0.88 -0.51 1.55 5.85 0.08 -0.36 115.31 124.03 3hx7 h LEU 114 Ca 0.30 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 3hx7 h LEU 114 Cb 0.09 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 3hx7 h LEU 114 CO -0.04 0.92 0.21 -0.74 -0.34 0.00 0.00 178.44 178.45 3hx7 h HIS 115 N 0.81 0.76 -0.58 1.25 2.76 0.34 -0.75 115.15 119.74 3hx7 h HIS 115 Ca 0.17 -0.05 -0.02 0.00 -2.20 0.00 0.00 60.37 58.26 3hx7 h HIS 115 Cb 0.42 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 29.12 3hx7 h HIS 115 CO 0.03 0.63 0.27 0.00 -1.30 0.00 0.00 177.93 177.55 3hx7 h ALA 116 N 1.06 1.37 -0.51 5.26 0.00 -0.39 -1.39 119.26 124.66 3hx7 h ALA 116 Ca 0.17 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3hx7 h ALA 116 Cb 0.18 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3hx7 h ALA 116 CO -0.02 0.49 0.09 1.25 0.00 0.00 0.00 179.25 181.06 3hx7 h LEU 117 N 0.82 0.81 -0.74 0.00 5.85 -0.41 -1.80 115.31 119.84 3hx7 h LEU 117 Ca 0.20 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.70 3hx7 h LEU 117 Cb 0.11 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 3hx7 h LEU 117 CO -0.02 0.86 0.46 1.23 -0.34 0.00 0.00 178.44 180.62 3hx7 h GLY 118 N 0.72 1.07 0.94 3.75 0.00 -0.22 -1.43 103.07 107.91 3hx7 h GLY 118 Ca 0.16 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 3hx7 h GLY 118 CO 0.01 0.27 0.16 1.76 0.00 0.00 0.00 176.54 178.74 3hx7 h SER 119 N 0.88 0.44 0.41 0.19 0.02 -1.03 0.16 113.55 114.62 3hx7 h SER 119 Ca 0.30 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3hx7 h SER 119 Cb 0.06 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.49 3hx7 h SER 119 CO -0.13 0.44 0.00 0.00 -1.14 0.00 0.00 176.83 176.00 3hx7 h ALA 120 N 1.02 1.00 -0.17 3.77 0.00 -0.68 -1.44 119.26 122.76 3hx7 h ALA 120 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hx7 h ALA 120 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3hx7 h ALA 120 CO -0.01 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.78 3hx7 n ARG 121 N -2.88 1.75 -3.61 0.00 5.12 -0.60 -5.01 116.66 111.42 3hx7 n ARG 121 Ca -0.01 -1.58 -0.28 0.00 -1.93 0.00 0.00 57.85 54.05 3hx7 n ARG 121 Cb 0.16 -1.21 0.04 0.00 -1.16 0.00 0.00 32.46 30.29 3hx7 n ARG 121 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3hx7 n THR 122 N 0.46 -6.28 -3.73 0.55 -2.24 -0.04 -4.96 114.28 98.03 3hx7 n THR 122 Ca 0.08 -0.91 -0.34 0.00 -2.27 0.00 0.00 64.05 60.61 3hx7 n THR 122 Cb 0.33 -4.62 -0.09 0.00 -2.10 0.00 0.00 70.33 63.86 3hx7 n THR 122 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hx7 s ASP 123 N -3.40 5.54 0.46 3.42 -1.08 0.35 -4.93 116.67 117.03 3hx7 s ASP 123 Ca 0.43 -3.66 0.14 0.00 -0.52 0.00 0.00 52.55 48.94 3hx7 s ASP 123 Cb -0.14 -1.82 1.06 0.00 -1.46 0.00 0.00 42.92 40.56 3hx7 s ASP 123 CO 0.85 -0.17 2.03 1.55 0.52 0.00 0.00 175.17 179.95 3hx7 h PRO 124 N 5.94 0.02 -0.49 4.34 0.13 -1.93 -2.52 132.00 137.50 3hx7 h PRO 124 Ca 0.13 -0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.22 3hx7 h PRO 124 Cb 0.81 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.92 3hx7 h PRO 124 CO 0.80 0.14 0.14 1.25 -0.23 0.00 0.00 178.00 180.10 3hx7 h HIS 125 N 0.02 0.80 0.44 1.56 2.76 -1.96 -0.49 115.15 118.28 3hx7 h HIS 125 Ca 0.00 -0.09 -0.02 0.00 -2.20 0.00 0.00 60.37 58.07 3hx7 h HIS 125 Cb 0.23 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 28.97 3hx7 h HIS 125 CO 0.00 0.71 -0.21 1.25 -1.30 0.00 0.00 177.93 178.37 3hx7 h LEU 126 N 0.66 -0.50 -0.74 0.26 5.85 -1.89 0.57 115.31 119.52 3hx7 h LEU 126 Ca 0.16 -0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.96 3hx7 h LEU 126 Cb 0.29 0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.37 3hx7 h LEU 126 CO -0.00 -0.29 0.33 0.00 -0.34 0.00 0.00 178.44 178.15 3hx7 h ASP 128 N 0.53 0.84 -0.60 0.00 3.58 -0.83 -0.79 116.42 119.15 3hx7 h ASP 128 Ca 0.39 -0.24 0.09 0.00 0.42 0.00 0.00 57.03 57.68 3hx7 h ASP 128 Cb 0.50 -0.22 -0.07 0.00 1.72 0.00 0.00 39.33 41.26 3hx7 h ASP 128 CO -0.33 0.87 0.23 0.15 -2.88 0.00 0.00 179.24 177.27 3hx7 h PHE 129 N 0.77 0.40 -0.23 0.28 3.04 0.50 -0.19 116.94 121.51 3hx7 h PHE 129 Ca 0.17 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 62.05 3hx7 h PHE 129 Cb 0.37 -0.09 -0.00 0.00 2.56 0.00 0.00 35.95 38.79 3hx7 h PHE 129 CO 0.03 0.11 -0.24 -0.07 -2.02 0.00 0.00 178.31 176.11 3hx7 h LEU 130 N 0.41 0.61 -0.54 0.59 3.38 -0.91 -2.19 115.31 116.66 3hx7 h LEU 130 Ca 0.30 -0.48 0.03 0.00 0.09 0.00 0.00 57.88 57.82 3hx7 h LEU 130 Cb 0.36 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 3hx7 h LEU 130 CO -0.30 0.97 0.31 -0.33 0.09 0.00 0.00 178.44 179.18 3hx7 h GLU 131 N 0.26 0.59 0.12 1.13 5.08 -0.76 0.47 114.58 121.47 3hx7 h GLU 131 Ca 0.03 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3hx7 h GLU 131 Cb 0.80 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3hx7 h GLU 131 CO 0.06 0.39 -0.06 1.15 -1.00 0.00 0.00 179.01 179.55 3hx7 h THR 132 N 0.61 1.06 0.00 1.13 2.02 -1.04 -3.37 112.91 113.31 3hx7 h THR 132 Ca 0.22 -1.06 -0.02 0.00 0.77 0.00 0.00 66.41 66.32 3hx7 h THR 132 Cb 0.06 1.69 -0.00 0.00 -1.74 0.00 0.00 68.15 68.16 3hx7 h THR 132 CO -0.12 0.24 -1.94 1.41 0.37 0.00 0.00 175.52 175.48 3hx7 n HIS 133 N -4.93 0.00 -0.02 3.16 8.25 -0.83 -4.86 115.22 115.99 3hx7 n HIS 133 Ca -0.08 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.32 3hx7 n HIS 133 Cb 0.26 -0.49 -0.02 0.00 1.12 0.00 0.00 29.99 30.87 3hx7 n HIS 133 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3hx7 n PHE 134 N -2.23 0.00 -0.27 4.41 3.72 -0.60 -4.62 117.46 117.87 3hx7 n PHE 134 Ca -0.05 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.34 3hx7 n PHE 134 Cb 0.56 -0.26 0.06 0.00 -0.94 0.00 0.00 39.48 38.90 3hx7 n PHE 134 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3hx7 h LEU 135 N -0.45 -0.99 -0.38 4.37 3.38 -1.13 -1.39 115.31 118.72 3hx7 h LEU 135 Ca -0.04 0.24 -0.17 0.00 0.09 0.00 0.00 57.88 58.00 3hx7 h LEU 135 Cb 0.56 0.56 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 3hx7 h LEU 135 CO -0.03 -0.28 -0.81 -0.78 0.09 0.00 0.00 178.44 176.63 3hx7 h ASP 136 N -0.06 0.05 -0.62 -0.43 -0.00 -1.82 -2.86 116.42 110.68 3hx7 h ASP 136 Ca 0.32 -0.04 -0.01 0.00 -0.00 0.00 0.00 57.03 57.30 3hx7 h ASP 136 Cb 0.57 -0.02 -0.03 0.00 -0.00 0.00 0.00 39.33 39.86 3hx7 h ASP 136 CO -0.79 0.84 0.34 -0.33 -0.00 0.00 0.00 179.24 179.30 3hx7 h GLU 137 N 0.02 0.86 0.62 0.28 4.39 -1.57 -1.42 114.58 117.76 3hx7 h GLU 137 Ca -0.02 -0.10 -0.03 0.00 0.34 0.00 0.00 59.36 59.55 3hx7 h GLU 137 Cb 1.43 -0.17 0.01 0.00 -0.10 0.00 0.00 28.75 29.92 3hx7 h GLU 137 CO 0.11 0.65 -0.30 0.93 -1.16 0.00 0.00 179.01 179.24 3hx7 h GLU 138 N 0.84 -0.80 -0.91 2.33 4.39 -1.27 -1.79 114.58 117.37 3hx7 h GLU 138 Ca 0.22 0.05 0.18 0.00 0.34 0.00 0.00 59.36 60.15 3hx7 h GLU 138 Cb 0.04 0.18 -0.10 0.00 -0.10 0.00 0.00 28.75 28.77 3hx7 h GLU 138 CO -0.04 -0.52 0.49 0.28 -1.16 0.00 0.00 179.01 178.07 3hx7 h VAL 139 N -0.88 0.67 -0.23 3.13 2.07 -1.39 0.42 116.25 120.04 3hx7 h VAL 139 Ca -0.09 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 3hx7 h VAL 139 Cb 0.66 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3hx7 h VAL 139 CO 0.14 0.11 -0.08 0.11 0.02 0.00 0.00 177.57 177.87 3hx7 h LYS 140 N 0.62 0.46 -0.19 1.57 1.57 -1.14 -2.34 116.57 117.12 3hx7 h LYS 140 Ca 0.53 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 3hx7 h LYS 140 Cb 0.83 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 3hx7 h LYS 140 CO -0.40 0.71 0.12 1.25 -0.57 0.00 0.00 179.45 180.56 3hx7 h LEU 141 N 0.18 0.22 -0.65 2.94 5.85 -0.16 0.31 115.31 124.00 3hx7 h LEU 141 Ca 0.05 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.81 3hx7 h LEU 141 Cb 0.56 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 3hx7 h LEU 141 CO 0.03 0.18 0.36 0.40 -0.34 0.00 0.00 178.44 179.07 3hx7 h ILE 142 N 0.25 0.97 -0.78 4.05 2.04 -0.27 -0.84 117.51 122.94 3hx7 h ILE 142 Ca 0.07 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.65 3hx7 h ILE 142 Cb -0.01 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.27 3hx7 h ILE 142 CO -0.01 0.12 0.32 0.50 0.00 0.00 0.00 178.15 179.08 3hx7 h LYS 143 N 0.68 1.15 -0.70 2.37 1.63 -0.96 -0.17 116.57 120.57 3hx7 h LYS 143 Ca 0.29 -0.20 -0.03 0.00 -0.85 0.00 0.00 60.65 59.86 3hx7 h LYS 143 Cb 0.17 -0.19 -0.03 0.00 -0.60 0.00 0.00 32.23 31.58 3hx7 h LYS 143 CO -0.18 0.93 0.33 -0.22 -3.45 0.00 0.00 179.45 176.87 3hx7 h LYS 144 N 1.12 0.99 -0.13 1.90 3.64 0.15 -0.08 116.57 124.15 3hx7 h LYS 144 Ca 0.26 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 3hx7 h LYS 144 Cb 0.20 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3hx7 h LYS 144 CO -0.02 0.77 -0.10 0.52 -2.27 0.00 0.00 179.45 178.34 3hx7 h MET 145 N 0.99 0.30 -0.84 1.90 2.86 -0.57 -1.61 114.93 117.96 3hx7 h MET 145 Ca 0.24 -0.15 0.11 0.00 -2.06 0.00 0.00 59.70 57.84 3hx7 h MET 145 Cb 0.10 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.70 3hx7 h MET 145 CO -0.03 0.68 0.54 0.78 1.06 0.00 0.00 176.91 179.94 3hx7 h GLY 146 N -0.06 1.12 0.93 8.32 0.00 -0.65 0.48 103.07 113.21 3hx7 h GLY 146 Ca 0.02 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 3hx7 h GLY 146 CO 0.03 0.16 -0.01 -0.55 0.00 0.00 0.00 176.54 176.17 3hx7 h ASP 147 N 0.75 0.66 -0.50 0.19 3.32 -0.79 -2.59 116.42 117.46 3hx7 h ASP 147 Ca 0.39 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 3hx7 h ASP 147 Cb 0.51 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 3hx7 h ASP 147 CO -0.16 0.81 0.27 0.45 -1.72 0.00 0.00 179.24 178.89 3hx7 h HIS 148 N 0.49 0.68 -0.04 4.55 3.86 0.19 -1.34 115.15 123.54 3hx7 h HIS 148 Ca 0.11 -0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.32 3hx7 h HIS 148 Cb 0.48 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.70 3hx7 h HIS 148 CO 0.04 0.50 -0.11 -0.07 0.86 0.00 0.00 177.93 179.15 3hx7 h LEU 149 N 0.66 -0.32 -1.58 2.43 3.38 -0.12 0.96 115.31 120.71 3hx7 h LEU 149 Ca 0.18 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 3hx7 h LEU 149 Cb 0.04 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3hx7 h LEU 149 CO -0.03 -0.15 0.09 0.74 0.09 0.00 0.00 178.44 179.18 3hx7 h THR 150 N -0.17 1.11 -0.03 0.22 2.02 -1.33 0.25 112.91 114.99 3hx7 h THR 150 Ca 0.05 -0.37 -0.24 0.00 0.77 0.00 0.00 66.41 66.63 3hx7 h THR 150 Cb 0.24 0.82 0.01 0.00 -1.74 0.00 0.00 68.15 67.48 3hx7 h THR 150 CO -0.14 0.14 -0.94 0.78 0.37 0.00 0.00 175.52 175.73 3hx7 h ASN 151 N 0.36 0.75 -0.07 4.18 2.35 -0.58 -2.53 115.58 120.04 3hx7 h ASN 151 Ca 0.09 -0.57 -0.01 0.00 -0.55 0.00 0.00 56.30 55.25 3hx7 h ASN 151 Cb 0.10 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.24 3hx7 h ASN 151 CO -0.01 1.37 0.00 -0.07 -1.65 0.00 0.00 177.43 177.07 3hx7 h LEU 152 N 0.36 0.13 -2.30 1.61 3.38 0.03 -2.05 115.31 116.46 3hx7 h LEU 152 Ca -0.09 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3hx7 h LEU 152 Cb 1.57 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.29 3hx7 h LEU 152 CO 0.18 0.39 0.06 -0.74 0.09 0.00 0.00 178.44 178.41 3hx7 h HIS 153 N -0.14 0.00 0.01 1.13 2.76 -0.56 0.21 115.15 118.55 3hx7 h HIS 153 Ca 0.02 0.00 -0.24 0.00 -2.20 0.00 0.00 60.37 57.95 3hx7 h HIS 153 Cb 0.33 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.25 3hx7 h HIS 153 CO 0.03 0.00 -1.27 -0.09 -1.30 0.00 0.00 177.93 175.29 3hx7 h ARG 154 N 0.00 0.02 -5.18 5.26 2.43 -0.92 -3.41 114.38 112.58 3hx7 h ARG 154 Ca 0.00 -0.03 -0.60 0.00 -0.81 0.00 0.00 59.98 58.53 3hx7 h ARG 154 Cb 0.11 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 3hx7 h ARG 154 CO 0.00 0.84 2.17 1.28 -1.51 0.00 0.00 179.97 182.75 3hx7 n LEU 155 N -3.26 4.83 0.10 3.80 4.77 0.06 -3.84 117.00 123.46 3hx7 n LEU 155 Ca -0.07 -3.67 0.00 0.00 -0.03 0.00 0.00 56.01 52.25 3hx7 n LEU 155 Cb 0.99 -1.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 3hx7 n LEU 155 CO 0.47 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 3hx7 n GLY 156 N 5.08 -1.16 0.00 -0.72 0.00 -1.26 -5.04 105.19 102.09 3hx7 n GLY 156 Ca 0.49 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.71 3hx7 n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hx7 n GLY 157 N -1.48 0.97 0.12 -0.02 0.00 -1.25 -4.96 105.19 98.57 3hx7 n GLY 157 Ca 0.00 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 3hx7 n GLY 157 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hx7 h PRO 158 N 0.00 0.31 -1.74 1.61 0.13 -2.01 -3.20 132.00 127.09 3hx7 h PRO 158 Ca 0.00 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3hx7 h PRO 158 Cb 0.00 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.06 3hx7 h PRO 158 CO 0.00 0.22 0.00 0.39 -0.23 0.00 0.00 178.00 178.38 3hx7 n GLU 159 N -4.92 0.83 0.00 0.86 1.02 -1.26 -5.15 120.64 112.02 3hx7 n GLU 159 Ca -0.03 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.19 3hx7 n GLU 159 Cb 0.03 -1.09 0.47 0.00 -0.02 0.00 0.00 31.44 30.83 3hx7 n GLU 159 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31