#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 6.54 0.68 6.12 0.15 -1.26 -5.02 113.70 120.92 3hx7 s SER 2 Ca 0.00 2.30 -0.16 0.00 0.70 0.00 0.00 55.95 58.79 3hx7 s SER 2 Cb 0.00 -2.61 0.01 0.00 -1.71 0.00 0.00 66.02 61.71 3hx7 s SER 2 CO 0.00 -0.66 1.20 -0.55 1.20 0.00 0.00 173.24 174.43 3hx7 s SER 3 N -1.20 4.59 0.50 5.45 0.15 -1.26 -4.94 113.70 116.99 3hx7 s SER 3 Ca 0.57 2.32 0.16 0.00 0.70 0.00 0.00 55.95 59.71 3hx7 s SER 3 Cb -0.29 -2.59 1.22 0.00 -1.71 0.00 0.00 66.02 62.65 3hx7 s SER 3 CO 0.37 -1.99 2.10 0.06 1.20 0.00 0.00 173.24 174.98 3hx7 h GLN 4 N 0.07 0.00 0.00 5.44 3.07 -1.95 -2.86 115.11 118.88 3hx7 h GLN 4 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.26 3hx7 h GLN 4 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.85 3hx7 h GLN 4 CO 0.52 0.06 -0.94 0.44 0.09 0.00 0.00 178.83 179.00 3hx7 n ILE 5 N -4.41 0.00 -1.71 1.86 -5.35 -1.26 -4.98 119.36 103.52 3hx7 n ILE 5 Ca -0.03 -0.02 -0.43 0.00 -0.27 0.00 0.00 62.75 62.00 3hx7 n ILE 5 Cb 0.14 0.84 -0.02 0.00 -1.74 0.00 0.00 39.64 38.86 3hx7 n ILE 5 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 3hx7 n ARG 6 N -1.53 2.41 -3.44 6.28 0.63 -1.08 -4.84 116.66 115.09 3hx7 n ARG 6 Ca 0.04 0.86 0.01 0.00 -0.92 0.00 0.00 57.85 57.84 3hx7 n ARG 6 Cb 0.34 -2.60 -0.03 0.00 0.45 0.00 0.00 32.46 30.62 3hx7 n ARG 6 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 3hx7 s GLN 7 N -0.09 0.55 -1.36 -0.14 0.74 -1.26 -4.96 119.66 113.15 3hx7 s GLN 7 Ca 0.69 1.22 -0.06 0.00 0.05 0.00 0.00 55.36 57.26 3hx7 s GLN 7 Cb -0.57 0.72 0.03 0.00 1.10 0.00 0.00 33.01 34.28 3hx7 s GLN 7 CO 0.46 -0.34 0.95 -1.71 -0.55 0.00 0.00 175.29 174.09 3hx7 n ASN 8 N 5.41 -3.50 -3.82 6.67 5.15 -1.26 -4.98 115.26 118.94 3hx7 n ASN 8 Ca -0.08 -0.70 -0.29 0.00 -0.60 0.00 0.00 54.58 52.90 3hx7 n ASN 8 Cb 0.50 -4.46 -0.13 0.00 -0.53 0.00 0.00 39.78 35.16 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 -3.43 2.60 0.54 1.20 5.04 -1.26 -4.86 117.35 117.18 3hx7 s TYR 9 Ca 0.31 -2.82 -0.20 0.00 -2.44 0.00 0.00 57.07 51.92 3hx7 s TYR 9 Cb -0.15 -2.31 -0.07 0.00 0.35 0.00 0.00 41.96 39.78 3hx7 s TYR 9 CO 0.78 -0.74 0.92 -1.13 -1.34 0.00 0.00 175.55 174.04 3hx7 n SER 10 N 3.18 0.70 0.25 4.32 3.41 -1.26 -4.87 113.62 119.34 3hx7 n SER 10 Ca 0.09 0.86 0.11 0.00 -0.26 0.00 0.00 58.87 59.67 3hx7 n SER 10 Cb 0.34 -1.35 0.67 0.00 -0.26 0.00 0.00 64.21 63.61 3hx7 n SER 10 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3hx7 h THR 11 N 0.78 0.71 -0.25 6.66 1.35 -1.99 -2.57 112.91 117.59 3hx7 h THR 11 Ca -0.47 -0.56 -0.04 0.00 -0.55 0.00 0.00 66.41 64.79 3hx7 h THR 11 Cb 1.36 1.34 -0.01 0.00 -1.73 0.00 0.00 68.15 69.11 3hx7 h THR 11 CO 0.52 0.14 -0.00 0.44 -0.25 0.00 0.00 175.52 176.36 3hx7 h ASP 12 N 0.00 0.44 -0.50 5.36 3.32 -1.99 -1.69 116.42 121.36 3hx7 h ASP 12 Ca -0.00 -0.31 -0.05 0.00 0.02 0.00 0.00 57.03 56.69 3hx7 h ASP 12 Cb 0.33 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3hx7 h ASP 12 CO 0.02 0.65 0.11 0.58 -1.72 0.00 0.00 179.24 178.88 3hx7 h VAL 13 N 0.23 1.24 -0.45 -1.35 2.07 -1.84 -0.10 116.25 116.06 3hx7 h VAL 13 Ca 0.07 -0.86 0.07 0.00 0.82 0.00 0.00 66.70 66.80 3hx7 h VAL 13 Cb 0.42 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 3hx7 h VAL 13 CO 0.01 0.31 0.11 -0.08 0.02 0.00 0.00 177.57 177.95 3hx7 h GLU 14 N 0.69 0.25 0.14 1.57 4.81 -1.36 0.33 114.58 121.01 3hx7 h GLU 14 Ca 0.16 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3hx7 h GLU 14 Cb 0.34 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.67 3hx7 h GLU 14 CO 0.00 0.16 -0.07 0.00 -0.73 0.00 0.00 179.01 178.38 3hx7 h ALA 15 N 1.33 -0.19 -0.71 2.92 0.00 -1.10 -2.40 119.26 119.11 3hx7 h ALA 15 Ca 0.22 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.13 3hx7 h ALA 15 Cb 0.26 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 3hx7 h ALA 15 CO -0.26 -0.56 0.47 0.00 0.00 0.00 0.00 179.25 178.90 3hx7 h ALA 16 N 0.57 1.83 0.06 0.00 0.00 -0.28 -1.79 119.26 119.65 3hx7 h ALA 16 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hx7 h ALA 16 Cb 0.22 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3hx7 h ALA 16 CO 0.03 0.03 -0.03 0.28 0.00 0.00 0.00 179.25 179.56 3hx7 h VAL 17 N 0.63 1.20 -0.88 0.00 2.07 -0.11 -1.06 116.25 118.10 3hx7 h VAL 17 Ca 0.32 -0.92 0.08 0.00 0.82 0.00 0.00 66.70 67.00 3hx7 h VAL 17 Cb 0.43 1.80 -0.06 0.00 -1.52 0.00 0.00 31.29 31.93 3hx7 h VAL 17 CO -0.11 0.23 0.57 0.78 0.02 0.00 0.00 177.57 179.06 3hx7 h ASN 18 N -0.49 0.82 -0.03 0.57 2.35 -1.10 0.13 115.58 117.81 3hx7 h ASN 18 Ca -0.01 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3hx7 h ASN 18 Cb 0.43 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 3hx7 h ASN 18 CO 0.01 0.50 0.02 -1.28 -1.65 0.00 0.00 177.43 175.03 3hx7 h SER 19 N 0.91 0.04 0.20 5.81 0.87 -1.22 -1.43 113.55 118.73 3hx7 h SER 19 Ca 0.40 -0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.91 3hx7 h SER 19 Cb 0.33 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 3hx7 h SER 19 CO -0.16 0.03 -0.21 0.25 -0.53 0.00 0.00 176.83 176.21 3hx7 h LEU 20 N 0.05 0.01 -0.39 2.23 5.85 0.20 -1.16 115.31 122.09 3hx7 h LEU 20 Ca 0.01 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 3hx7 h LEU 20 Cb -0.00 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 3hx7 h LEU 20 CO -0.00 0.22 0.11 0.58 -0.34 0.00 0.00 178.44 179.00 3hx7 h VAL 21 N 0.01 1.22 -0.32 1.05 2.07 0.00 0.53 116.25 120.81 3hx7 h VAL 21 Ca -0.00 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 3hx7 h VAL 21 Cb 0.37 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3hx7 h VAL 21 CO 0.03 0.26 0.17 -1.13 0.02 0.00 0.00 177.57 176.92 3hx7 h ASN 22 N 0.49 0.40 -0.75 0.57 -0.73 -0.57 0.74 115.58 115.73 3hx7 h ASN 22 Ca 0.12 -0.09 0.05 0.00 1.87 0.00 0.00 56.30 58.25 3hx7 h ASN 22 Cb 0.28 -0.10 -0.04 0.00 0.27 0.00 0.00 38.32 38.73 3hx7 h ASN 22 CO -0.00 0.38 0.49 0.25 -0.37 0.00 0.00 177.43 178.18 3hx7 h LEU 23 N 0.40 0.75 -0.10 0.34 5.85 -0.93 -0.48 115.31 121.14 3hx7 h LEU 23 Ca 0.11 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 3hx7 h LEU 23 Cb 0.07 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.93 3hx7 h LEU 23 CO -0.02 0.50 -0.19 1.88 -0.34 0.00 0.00 178.44 180.27 3hx7 h TYR 24 N 0.86 0.39 -0.94 1.25 -1.99 0.05 -1.51 116.97 115.08 3hx7 h TYR 24 Ca 0.31 -0.14 0.11 0.00 2.00 0.00 0.00 58.73 61.01 3hx7 h TYR 24 Cb 0.13 -0.07 -0.08 0.00 2.00 0.00 0.00 36.73 38.71 3hx7 h TYR 24 CO -0.00 0.80 0.58 -0.07 -0.00 0.00 0.00 178.16 179.46 3hx7 h LEU 25 N -0.13 0.84 -0.15 3.88 3.38 -0.36 0.16 115.31 122.93 3hx7 h LEU 25 Ca 0.01 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3hx7 h LEU 25 Cb 0.77 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3hx7 h LEU 25 CO 0.04 0.45 0.05 -0.61 0.09 0.00 0.00 178.44 178.47 3hx7 h GLN 26 N 0.92 0.23 -0.75 1.13 4.15 -1.04 -0.39 115.11 119.36 3hx7 h GLN 26 Ca 0.46 -0.05 0.06 0.00 0.77 0.00 0.00 58.65 59.90 3hx7 h GLN 26 Cb 0.45 -0.03 -0.06 0.00 0.21 0.00 0.00 27.48 28.05 3hx7 h GLN 26 CO -0.26 0.34 0.45 0.00 -1.93 0.00 0.00 178.83 177.42 3hx7 h ALA 27 N 0.88 1.02 -0.75 3.38 0.00 -0.15 0.58 119.26 124.22 3hx7 h ALA 27 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3hx7 h ALA 27 Cb 0.20 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3hx7 h ALA 27 CO -0.00 0.16 0.41 1.03 0.00 0.00 0.00 179.25 180.84 3hx7 h SER 28 N 0.82 0.93 -0.18 0.00 0.87 -0.49 -2.11 113.55 113.38 3hx7 h SER 28 Ca 0.33 -0.10 0.01 0.00 -1.23 0.00 0.00 61.79 60.80 3hx7 h SER 28 Cb 0.17 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 3hx7 h SER 28 CO -0.17 0.76 0.11 0.22 -0.53 0.00 0.00 176.83 177.22 3hx7 h TYR 29 N 1.03 0.20 0.03 2.24 5.03 0.73 -1.38 116.97 124.85 3hx7 h TYR 29 Ca 0.26 0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.61 3hx7 h TYR 29 Cb 0.04 -0.07 -0.05 0.00 1.55 0.00 0.00 36.73 38.21 3hx7 h TYR 29 CO -0.00 0.12 -0.29 1.15 -1.32 0.00 0.00 178.16 177.82 3hx7 h THR 30 N 0.22 0.36 -0.70 1.81 2.02 -0.62 -1.79 112.91 114.22 3hx7 h THR 30 Ca 0.07 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.30 3hx7 h THR 30 Cb -0.01 0.36 -0.04 0.00 -1.74 0.00 0.00 68.15 66.72 3hx7 h THR 30 CO -0.03 0.00 0.46 1.88 0.37 0.00 0.00 175.52 178.20 3hx7 h TYR 31 N -0.45 0.76 -0.82 3.16 0.05 -1.20 0.43 116.97 118.90 3hx7 h TYR 31 Ca 0.06 0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.88 3hx7 h TYR 31 Cb 0.53 -0.25 -0.05 0.00 1.01 0.00 0.00 36.73 37.97 3hx7 h TYR 31 CO -0.31 0.41 0.52 1.25 -1.05 0.00 0.00 178.16 178.99 3hx7 h LEU 32 N 0.76 0.87 0.35 3.88 5.85 -0.43 0.79 115.31 127.38 3hx7 h LEU 32 Ca 0.29 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 3hx7 h LEU 32 Cb 0.20 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3hx7 h LEU 32 CO -0.09 0.60 -0.17 -1.28 -0.34 0.00 0.00 178.44 177.16 3hx7 h SER 33 N 1.02 -0.40 -0.48 1.25 0.87 -0.51 -2.31 113.55 112.99 3hx7 h SER 33 Ca 0.32 -0.13 0.09 0.00 -1.23 0.00 0.00 61.79 60.84 3hx7 h SER 33 Cb -0.00 0.10 -0.08 0.00 -0.44 0.00 0.00 62.40 61.98 3hx7 h SER 33 CO -0.11 -0.07 -0.00 -0.07 -0.53 0.00 0.00 176.83 176.05 3hx7 h LEU 34 N -0.77 -0.20 -0.49 2.23 3.38 -0.54 -0.54 115.31 118.39 3hx7 h LEU 34 Ca -0.05 0.11 0.09 0.00 0.09 0.00 0.00 57.88 58.13 3hx7 h LEU 34 Cb 0.51 0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.38 3hx7 h LEU 34 CO 0.08 -0.07 -0.01 1.23 0.09 0.00 0.00 178.44 179.76 3hx7 h GLY 35 N 0.11 0.49 2.00 0.83 0.00 0.67 -1.57 103.07 105.60 3hx7 h GLY 35 Ca 0.24 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.64 3hx7 h GLY 35 CO -0.40 -0.14 0.00 0.74 0.00 0.00 0.00 176.54 176.74 3hx7 h PHE 36 N 0.10 0.00 -0.38 5.60 -1.00 -0.83 -3.17 116.94 117.27 3hx7 h PHE 36 Ca 0.24 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.89 3hx7 h PHE 36 Cb 0.37 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.92 3hx7 h PHE 36 CO -0.32 0.00 -0.29 -0.92 -1.61 0.00 0.00 178.31 175.17 3hx7 h TYR 37 N 0.00 1.02 0.00 -0.55 3.20 -0.11 -2.85 116.97 117.69 3hx7 h TYR 37 Ca 0.00 -0.29 0.00 0.00 3.14 0.00 0.00 58.73 61.58 3hx7 h TYR 37 Cb 0.83 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.87 3hx7 h TYR 37 CO 0.00 1.08 0.00 1.19 -1.64 0.00 0.00 178.16 178.79 3hx7 n PHE 38 N -4.16 0.00 0.95 -3.82 3.72 -1.02 -2.28 117.46 110.86 3hx7 n PHE 38 Ca -0.02 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.49 3hx7 n PHE 38 Cb 0.49 -0.12 0.05 0.00 -0.94 0.00 0.00 39.48 38.95 3hx7 n PHE 38 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3hx7 n ASP 39 N -1.12 0.75 -4.75 4.37 4.64 -1.08 -1.67 116.55 117.69 3hx7 n ASP 39 Ca 0.15 -0.61 -0.41 0.00 -1.38 0.00 0.00 54.79 52.55 3hx7 n ASP 39 Cb 0.13 0.68 0.01 0.00 -1.04 0.00 0.00 41.12 40.90 3hx7 n ASP 39 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3hx7 n ARG 40 N -1.55 2.28 0.26 -0.67 1.74 -0.97 -4.69 116.66 113.07 3hx7 n ARG 40 Ca 0.04 0.81 0.18 0.00 -0.77 0.00 0.00 57.85 58.11 3hx7 n ARG 40 Cb 0.34 -2.57 0.92 0.00 -1.02 0.00 0.00 32.46 30.13 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 2.42 0.00 0.18 0.55 2.03 -1.92 0.27 116.42 119.95 3hx7 h ASP 41 Ca -0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 3hx7 h ASP 41 Cb 1.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.77 3hx7 h ASP 41 CO 0.62 0.00 -0.36 -0.90 -1.03 0.00 0.00 179.24 177.57 3hx7 n ASP 42 N -2.76 1.26 -0.05 4.15 3.85 -1.26 -4.28 116.55 117.45 3hx7 n ASP 42 Ca -0.02 -1.02 -0.08 0.00 -0.71 0.00 0.00 54.79 52.97 3hx7 n ASP 42 Cb 0.10 0.26 -0.04 0.00 -1.35 0.00 0.00 41.12 40.08 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 0.56 -4.04 2.12 0.31 -0.39 -5.07 118.33 111.25 3hx7 n VAL 43 Ca 0.11 -0.20 -0.40 0.00 -0.01 0.00 0.00 64.34 63.84 3hx7 n VAL 43 Cb 0.38 -1.00 0.02 0.00 -0.91 0.00 0.00 33.84 32.32 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 -2.92 -2.34 -3.75 3.52 0.00 0.83 -4.95 120.51 110.90 3hx7 n ALA 44 Ca -0.18 -0.51 -0.28 0.00 0.00 0.00 0.00 53.44 52.48 3hx7 n ALA 44 Cb 0.67 -2.12 -0.12 0.00 0.00 0.00 0.00 19.45 17.89 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 -7.10 3.64 0.32 0.00 1.43 -0.67 -4.97 118.68 111.34 3hx7 s LEU 45 Ca 0.41 -3.45 0.07 0.00 -1.03 0.00 0.00 54.13 50.13 3hx7 s LEU 45 Cb -0.23 -1.25 0.76 0.00 0.03 0.00 0.00 46.19 45.50 3hx7 s LEU 45 CO 0.82 -0.14 1.81 -0.08 0.23 0.00 0.00 176.35 178.99 3hx7 h GLU 46 N 5.68 0.73 0.25 1.70 4.81 -1.93 -0.38 114.58 125.46 3hx7 h GLU 46 Ca 0.15 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3hx7 h GLU 46 Cb 0.82 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.04 3hx7 h GLU 46 CO 0.60 0.49 -0.12 0.78 -0.73 0.00 0.00 179.01 180.02 3hx7 h GLY 47 N 0.76 -0.36 1.48 1.92 0.00 -1.94 0.90 103.07 105.83 3hx7 h GLY 47 Ca 0.53 0.13 -0.08 0.00 0.00 0.00 0.00 47.33 47.92 3hx7 h GLY 47 CO -0.30 -0.13 -0.09 -2.08 0.00 0.00 0.00 176.54 173.94 3hx7 h VAL 48 N -0.44 1.24 0.78 4.60 2.07 -1.87 0.55 116.25 123.18 3hx7 h VAL 48 Ca -0.03 -1.05 -0.04 0.00 0.82 0.00 0.00 66.70 66.40 3hx7 h VAL 48 Cb 0.34 1.06 0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3hx7 h VAL 48 CO 0.06 0.35 -0.39 -1.28 0.02 0.00 0.00 177.57 176.33 3hx7 h SER 49 N 0.58 -0.94 -0.45 0.57 0.87 -0.93 -1.95 113.55 111.31 3hx7 h SER 49 Ca 0.11 0.04 0.09 0.00 -1.23 0.00 0.00 61.79 60.79 3hx7 h SER 49 Cb 0.50 0.25 -0.08 0.00 -0.44 0.00 0.00 62.40 62.63 3hx7 h SER 49 CO 0.03 -0.65 -0.09 -0.74 -0.53 0.00 0.00 176.83 174.85 3hx7 h HIS 50 N -1.07 -0.20 -0.61 2.24 6.17 -0.56 -1.07 115.15 120.05 3hx7 h HIS 50 Ca -0.11 0.04 0.11 0.00 0.71 0.00 0.00 60.37 61.13 3hx7 h HIS 50 Cb 0.83 0.16 -0.08 0.00 2.52 0.00 0.00 27.41 30.83 3hx7 h HIS 50 CO -0.03 -0.18 0.16 0.35 0.71 0.00 0.00 177.93 178.94 3hx7 h PHE 51 N 0.02 0.26 -0.27 5.26 3.57 -0.75 -1.30 116.94 123.73 3hx7 h PHE 51 Ca 0.22 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.57 3hx7 h PHE 51 Cb 0.33 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.05 3hx7 h PHE 51 CO -0.37 -0.00 -0.56 0.74 -2.23 0.00 0.00 178.31 175.89 3hx7 h PHE 52 N 0.30 1.08 -0.64 0.41 0.05 -0.53 -2.80 116.94 114.81 3hx7 h PHE 52 Ca 0.32 -0.40 0.01 0.00 3.82 0.00 0.00 57.97 61.72 3hx7 h PHE 52 Cb 0.47 -0.20 -0.03 0.00 2.00 0.00 0.00 35.95 38.19 3hx7 h PHE 52 CO -0.23 1.22 0.42 0.00 -0.18 0.00 0.00 178.31 179.55 3hx7 h ARG 53 N 0.63 0.84 -0.60 1.51 3.08 -0.68 -0.40 114.38 118.77 3hx7 h ARG 53 Ca 0.01 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.93 3hx7 h ARG 53 Cb 1.17 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 31.01 3hx7 h ARG 53 CO 0.12 0.56 0.07 0.93 -1.07 0.00 0.00 179.97 180.58 3hx7 h GLU 54 N 0.87 1.00 -0.04 0.04 5.08 -1.20 -2.48 114.58 117.85 3hx7 h GLU 54 Ca 0.23 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 3hx7 h GLU 54 Cb -0.10 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 3hx7 h GLU 54 CO -0.05 0.96 -0.23 -0.07 -1.00 0.00 0.00 179.01 178.62 3hx7 h LEU 55 N 0.91 0.06 -0.13 1.33 3.38 -0.89 0.61 115.31 120.58 3hx7 h LEU 55 Ca 0.18 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3hx7 h LEU 55 Cb 0.46 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3hx7 h LEU 55 CO 0.02 0.30 0.03 0.00 0.09 0.00 0.00 178.44 178.88 3hx7 h ALA 56 N 1.71 0.17 -0.44 1.53 0.00 -0.76 -0.58 119.26 120.89 3hx7 h ALA 56 Ca 0.01 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3hx7 h ALA 56 Cb 0.44 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3hx7 h ALA 56 CO 0.03 -0.20 0.04 1.49 0.00 0.00 0.00 179.25 180.60 3hx7 h GLU 57 N 0.01 0.69 -0.50 0.00 4.57 -0.99 -0.86 114.58 117.51 3hx7 h GLU 57 Ca 0.04 -0.16 -0.09 0.00 -1.18 0.00 0.00 59.36 57.98 3hx7 h GLU 57 Cb 0.24 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 3hx7 h GLU 57 CO -0.00 0.68 -0.04 0.93 -1.18 0.00 0.00 179.01 179.40 3hx7 h GLU 58 N 0.66 0.86 -0.08 1.92 5.08 -0.56 -1.21 114.58 121.24 3hx7 h GLU 58 Ca 0.14 -0.26 -0.12 0.00 -1.00 0.00 0.00 59.36 58.11 3hx7 h GLU 58 Cb 0.36 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3hx7 h GLU 58 CO 0.01 0.89 -0.50 0.87 -1.00 0.00 0.00 179.01 179.28 3hx7 h LYS 59 N 0.79 0.21 -0.19 2.33 1.79 -0.46 -2.27 116.57 118.77 3hx7 h LYS 59 Ca 0.14 -0.12 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 3hx7 h LYS 59 Cb 0.53 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.18 3hx7 h LYS 59 CO 0.03 0.66 0.07 -0.09 -1.08 0.00 0.00 179.45 179.04 3hx7 h ARG 60 N 0.17 0.29 0.00 3.15 2.43 -0.64 -1.92 114.38 117.86 3hx7 h ARG 60 Ca 0.01 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3hx7 h ARG 60 Cb 0.94 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.45 3hx7 h ARG 60 CO 0.08 0.37 -0.02 0.93 -1.51 0.00 0.00 179.97 179.82 3hx7 h GLU 61 N 0.15 0.00 -0.03 0.20 5.08 -1.05 -1.00 114.58 117.93 3hx7 h GLU 61 Ca 0.06 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 3hx7 h GLU 61 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3hx7 h GLU 61 CO -0.00 0.02 -0.09 0.78 -1.00 0.00 0.00 179.01 178.72 3hx7 h GLY 62 N 0.16 0.12 1.95 -3.84 0.00 -0.77 -2.46 103.07 98.24 3hx7 h GLY 62 Ca -0.00 -0.15 -0.14 0.00 0.00 0.00 0.00 47.33 47.04 3hx7 h GLY 62 CO 0.00 0.14 -0.64 0.10 0.00 0.00 0.00 176.54 176.14 3hx7 h TYR 63 N -0.48 0.06 -0.39 5.60 -0.00 -0.99 -2.41 116.97 118.36 3hx7 h TYR 63 Ca -0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 58.73 58.70 3hx7 h TYR 63 Cb 0.72 -0.01 -0.02 0.00 0.00 0.00 0.00 36.73 37.42 3hx7 h TYR 63 CO 0.14 0.67 0.23 0.93 -0.00 0.00 0.00 178.16 180.13 3hx7 h GLU 64 N 0.04 0.54 -0.19 0.10 5.08 -1.25 -0.60 114.58 118.29 3hx7 h GLU 64 Ca -0.01 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 3hx7 h GLU 64 Cb 1.14 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 3hx7 h GLU 64 CO 0.09 0.41 -0.15 -0.09 -1.00 0.00 0.00 179.01 178.27 3hx7 h ARG 65 N 0.51 0.32 -0.28 2.33 2.43 -1.31 -0.89 114.38 117.49 3hx7 h ARG 65 Ca 0.14 -0.08 -0.18 0.00 -0.81 0.00 0.00 59.98 59.04 3hx7 h ARG 65 Cb 0.02 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3hx7 h ARG 65 CO -0.03 0.47 -0.54 -0.07 -1.51 0.00 0.00 179.97 178.29 3hx7 h LEU 66 N 0.30 0.93 -0.36 3.80 3.38 -0.87 -2.01 115.31 120.48 3hx7 h LEU 66 Ca 0.06 -0.49 -0.07 0.00 0.09 0.00 0.00 57.88 57.47 3hx7 h LEU 66 Cb 0.44 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3hx7 h LEU 66 CO 0.03 1.28 -0.04 -0.07 0.09 0.00 0.00 178.44 179.73 3hx7 h LEU 67 N 0.64 0.66 -0.40 1.67 3.38 -0.77 0.06 115.31 120.55 3hx7 h LEU 67 Ca 0.02 -0.33 0.08 0.00 0.09 0.00 0.00 57.88 57.73 3hx7 h LEU 67 Cb 1.14 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.65 3hx7 h LEU 67 CO 0.12 0.84 -0.03 0.50 0.09 0.00 0.00 178.44 179.96 3hx7 h LYS 68 N 0.46 0.07 -0.02 1.13 1.63 -1.11 0.12 116.57 118.85 3hx7 h LYS 68 Ca 0.10 -0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.83 3hx7 h LYS 68 Cb 0.52 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.13 3hx7 h LYS 68 CO 0.03 0.05 -0.30 1.98 -3.45 0.00 0.00 179.45 177.76 3hx7 h MET 69 N 0.07 0.04 -0.02 1.90 4.05 -1.17 -1.79 114.93 118.02 3hx7 h MET 69 Ca 0.19 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.60 3hx7 h MET 69 Cb 0.28 -0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.08 3hx7 h MET 69 CO -0.35 0.33 0.01 0.37 0.23 0.00 0.00 176.91 177.50 3hx7 h GLN 70 N 0.03 0.03 -0.08 0.39 5.75 0.12 -1.96 115.11 119.39 3hx7 h GLN 70 Ca 0.00 -0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.43 3hx7 h GLN 70 Cb 0.55 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.08 3hx7 h GLN 70 CO 0.04 0.22 -0.27 -0.91 -2.65 0.00 0.00 178.83 175.26 3hx7 h ASN 71 N -0.17 0.13 0.16 -0.69 2.35 -0.95 -1.20 115.58 115.22 3hx7 h ASN 71 Ca 0.01 -0.04 -0.13 0.00 -0.55 0.00 0.00 56.30 55.59 3hx7 h ASN 71 Cb 0.20 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 3hx7 h ASN 71 CO -0.00 0.41 -0.47 1.56 -1.65 0.00 0.00 177.43 177.28 3hx7 h GLN 72 N 0.13 0.36 0.00 0.81 4.20 -1.11 -2.87 115.11 116.62 3hx7 h GLN 72 Ca 0.02 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.53 3hx7 h GLN 72 Cb 0.55 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.34 3hx7 h GLN 72 CO 0.04 0.76 -0.15 0.00 -0.67 0.00 0.00 178.83 178.80 3hx7 h ARG 73 N 0.29 0.00 0.00 1.46 2.47 -1.06 -3.48 114.38 114.07 3hx7 h ARG 73 Ca 0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 3hx7 h ARG 73 Cb 0.94 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.26 3hx7 h ARG 73 CO 0.08 0.00 0.00 0.41 0.56 0.00 0.00 179.97 181.02 3hx7 n GLY 74 N 1.28 0.58 3.66 0.04 0.00 -0.95 -4.11 105.19 105.69 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 -1.53 1.59 -0.04 -0.02 0.00 -0.50 -4.64 107.32 102.19 3hx7 s GLY 75 Ca 0.00 -0.75 0.04 0.00 0.00 0.00 0.00 44.72 44.01 3hx7 s GLY 75 CO 0.00 0.02 -0.15 0.50 0.00 0.00 0.00 173.10 173.47 3hx7 s ARG 76 N -5.29 1.53 0.19 2.90 1.81 -1.26 -4.27 118.95 114.56 3hx7 s ARG 76 Ca 0.69 -0.53 -0.29 0.00 -1.72 0.00 0.00 55.73 53.87 3hx7 s ARG 76 Cb -0.13 -1.36 -0.08 0.00 -0.45 0.00 0.00 34.95 32.93 3hx7 s ARG 76 CO 0.56 0.23 0.92 0.00 -0.68 0.00 0.00 175.30 176.32 3hx7 s ALA 77 N 0.02 3.33 -0.14 2.13 0.00 -1.26 -4.97 121.76 120.88 3hx7 s ALA 77 Ca -0.02 0.56 -0.01 0.00 0.00 0.00 0.00 51.96 52.49 3hx7 s ALA 77 Cb -0.10 -3.19 0.04 0.00 0.00 0.00 0.00 23.12 19.87 3hx7 s ALA 77 CO 0.01 0.15 -0.04 -0.51 0.00 0.00 0.00 175.76 175.38 3hx7 s LEU 78 N -0.81 1.25 0.29 0.00 1.43 -1.26 -5.14 118.68 114.45 3hx7 s LEU 78 Ca 0.42 -0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 53.02 3hx7 s LEU 78 Cb -0.25 -0.77 -0.04 0.00 0.03 0.00 0.00 46.19 45.16 3hx7 s LEU 78 CO 0.30 -0.18 0.53 -0.36 0.23 0.00 0.00 176.35 176.87 3hx7 s PHE 79 N 1.74 3.49 0.25 0.29 0.08 -1.26 -4.88 117.98 117.69 3hx7 s PHE 79 Ca 0.03 0.52 0.02 0.00 0.12 0.00 0.00 56.93 57.62 3hx7 s PHE 79 Cb -0.14 -2.02 -0.05 0.00 -0.57 0.00 0.00 43.02 40.24 3hx7 s PHE 79 CO -0.07 0.18 0.06 -0.65 -0.10 0.00 0.00 175.22 174.64 3hx7 s GLN 80 N -3.74 1.39 0.56 0.44 -1.52 -1.26 -5.13 119.66 110.40 3hx7 s GLN 80 Ca 0.42 -1.74 -0.21 0.00 -1.95 0.00 0.00 55.36 51.88 3hx7 s GLN 80 Cb -0.10 -0.40 -0.04 0.00 -0.22 0.00 0.00 33.01 32.24 3hx7 s GLN 80 CO 0.32 -0.23 1.29 -0.51 -0.25 0.00 0.00 175.29 175.91 3hx7 s ASP 81 N -3.32 5.30 -0.35 5.90 1.01 -1.26 -4.97 116.67 118.99 3hx7 s ASP 81 Ca 0.34 2.60 -0.12 0.00 0.71 0.00 0.00 52.55 56.08 3hx7 s ASP 81 Cb 0.07 -2.62 -0.00 0.00 1.01 0.00 0.00 42.92 41.38 3hx7 s ASP 81 CO 0.12 -1.54 0.22 -0.63 0.21 0.00 0.00 175.17 173.56 3hx7 s ILE 82 N -1.41 5.00 0.25 0.77 1.01 -1.26 -5.06 121.20 120.50 3hx7 s ILE 82 Ca 0.73 -0.44 -0.30 0.00 0.00 0.00 0.00 60.65 60.64 3hx7 s ILE 82 Cb -0.36 -3.63 -0.10 0.00 0.01 0.00 0.00 42.46 38.38 3hx7 s ILE 82 CO 0.42 -0.08 1.38 -0.54 0.00 0.00 0.00 174.94 176.12 3hx7 s LYS 83 N 1.66 4.31 0.80 2.79 1.02 -1.26 -4.99 119.74 124.07 3hx7 s LYS 83 Ca 0.05 2.22 -0.13 0.00 0.02 0.00 0.00 55.97 58.13 3hx7 s LYS 83 Cb -0.18 -3.12 0.08 0.00 -0.52 0.00 0.00 37.83 34.08 3hx7 s LYS 83 CO 0.09 -0.34 1.20 -1.59 -0.92 0.00 0.00 175.35 173.79 3hx7 s LYS 84 N -0.57 1.72 0.55 1.68 -2.85 -1.26 -4.88 119.74 114.13 3hx7 s LYS 84 Ca 0.57 1.73 -0.20 0.00 -1.00 0.00 0.00 55.97 57.07 3hx7 s LYS 84 Cb -0.40 -1.79 -0.07 0.00 -2.06 0.00 0.00 37.83 33.51 3hx7 s LYS 84 CO 0.44 -2.15 0.94 -2.30 0.10 0.00 0.00 175.35 172.38 3hx7 n PRO 85 N -3.23 1.00 0.02 1.78 -0.02 -1.26 -4.89 135.00 128.41 3hx7 n PRO 85 Ca 0.13 0.38 0.12 0.00 -2.02 0.00 0.00 63.50 62.11 3hx7 n PRO 85 Cb 0.51 -2.09 0.56 0.00 -0.02 0.00 0.00 33.50 32.46 3hx7 n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hx7 h ALA 86 N 0.78 2.07 -1.85 3.55 0.00 -1.98 -3.44 119.26 118.40 3hx7 h ALA 86 Ca -0.47 -0.01 -0.53 0.00 0.00 0.00 0.00 54.91 53.90 3hx7 h ALA 86 Cb 1.36 -0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.96 3hx7 h ALA 86 CO 0.52 -0.16 -0.60 -1.21 0.00 0.00 0.00 179.25 177.80 3hx7 s GLU 87 N -5.25 1.77 -0.00 0.00 0.41 -1.26 -5.04 118.70 109.33 3hx7 s GLU 87 Ca -0.07 -2.00 0.03 0.00 -0.41 0.00 0.00 54.97 52.52 3hx7 s GLU 87 Cb 0.19 -1.09 -0.04 0.00 -1.78 0.00 0.00 34.13 31.41 3hx7 s GLU 87 CO 0.72 -0.17 0.08 -0.25 -0.49 0.00 0.00 175.26 175.15 3hx7 n ASP 88 N -0.82 3.55 -3.86 -0.19 8.00 -1.26 -4.96 116.55 117.01 3hx7 n ASP 88 Ca -0.04 -0.10 -0.18 0.00 0.71 0.00 0.00 54.79 55.18 3hx7 n ASP 88 Cb 0.67 1.11 -0.16 0.00 -0.02 0.00 0.00 41.12 42.72 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 -2.03 0.47 -0.12 -1.24 2.02 -1.26 -5.01 118.70 111.53 3hx7 s GLU 89 Ca -0.01 -0.01 0.16 0.00 0.02 0.00 0.00 54.97 55.14 3hx7 s GLU 89 Cb 0.02 -0.57 0.63 0.00 0.10 0.00 0.00 34.13 34.31 3hx7 s GLU 89 CO 0.12 -0.09 1.55 0.91 0.02 0.00 0.00 175.26 177.77 3hx7 n TRP 90 N 3.95 1.29 -3.28 1.61 7.02 -1.26 -5.07 117.44 121.70 3hx7 n TRP 90 Ca -0.25 -0.66 0.00 0.00 -1.02 0.00 0.00 57.50 55.57 3hx7 n TRP 90 Cb 0.51 -0.26 0.00 0.00 -2.42 0.00 0.00 31.31 29.15 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 0.65 2.86 3.97 6.99 0.00 -1.26 -3.63 105.19 114.77 3hx7 n GLY 91 Ca 0.23 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 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 3.06 0.26 1.61 1.02 -1.26 -4.91 119.74 119.52 3hx7 s LYS 92 Ca 0.00 -0.73 -0.04 0.00 0.02 0.00 0.00 55.97 55.21 3hx7 s LYS 92 Cb 0.00 -2.67 0.52 0.00 -0.52 0.00 0.00 37.83 35.16 3hx7 s LYS 92 CO 0.00 -0.15 1.63 1.15 -0.92 0.00 0.00 175.35 177.06 3hx7 h THR 93 N 0.60 0.30 -0.46 2.17 2.02 -1.99 0.06 112.91 115.60 3hx7 h THR 93 Ca -0.46 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 66.68 3hx7 h THR 93 Cb 1.26 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 3hx7 h THR 93 CO 0.55 0.02 0.28 -0.65 0.37 0.00 0.00 175.52 176.09 3hx7 h PRO 94 N 0.12 0.61 -0.10 6.66 0.11 -1.95 0.06 132.00 137.51 3hx7 h PRO 94 Ca 0.46 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.46 3hx7 h PRO 94 Cb 0.85 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.83 3hx7 h PRO 94 CO -0.69 0.43 -0.19 -0.44 -0.21 0.00 0.00 178.00 176.89 3hx7 h ASP 95 N 0.63 0.34 -0.48 -2.05 3.45 -1.30 -2.37 116.42 114.63 3hx7 h ASP 95 Ca 0.17 -0.55 0.01 0.00 0.43 0.00 0.00 57.03 57.08 3hx7 h ASP 95 Cb -0.03 -0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 38.62 3hx7 h ASP 95 CO -0.03 0.83 0.32 0.00 -1.57 0.00 0.00 179.24 178.79 3hx7 h ALA 96 N 0.52 0.61 -0.59 3.45 0.00 -0.95 -2.23 119.26 120.07 3hx7 h ALA 96 Ca 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hx7 h ALA 96 Cb 0.77 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3hx7 h ALA 96 CO 0.04 0.06 0.34 1.98 0.00 0.00 0.00 179.25 181.67 3hx7 h MET 97 N 0.65 0.81 -0.82 0.00 -1.53 -1.01 -1.55 114.93 111.48 3hx7 h MET 97 Ca 0.18 -0.08 0.02 0.00 -3.44 0.00 0.00 59.70 56.38 3hx7 h MET 97 Cb -0.07 -0.17 -0.05 0.00 -0.55 0.00 0.00 31.60 30.76 3hx7 h MET 97 CO -0.04 0.59 0.53 0.87 0.14 0.00 0.00 176.91 179.01 3hx7 h LYS 98 N 0.80 1.03 0.14 0.39 1.57 -1.08 0.11 116.57 119.52 3hx7 h LYS 98 Ca 0.21 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3hx7 h LYS 98 Cb 0.00 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.08 3hx7 h LYS 98 CO -0.04 0.68 -0.07 0.00 -0.57 0.00 0.00 179.45 179.45 3hx7 h ALA 99 N 1.33 -0.19 -0.07 3.86 0.00 -1.00 -1.64 119.26 121.55 3hx7 h ALA 99 Ca 0.32 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.18 3hx7 h ALA 99 Cb -0.04 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3hx7 h ALA 99 CO -0.10 -0.55 -0.27 0.00 0.00 0.00 0.00 179.25 178.33 3hx7 h ALA 100 N 0.55 -0.33 -0.99 0.00 0.00 -0.88 0.15 119.26 117.76 3hx7 h ALA 100 Ca -0.02 0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.10 3hx7 h ALA 100 Cb 0.24 0.50 -0.10 0.00 0.00 0.00 0.00 17.79 18.43 3hx7 h ALA 100 CO 0.03 -0.76 0.61 1.98 0.00 0.00 0.00 179.25 181.12 3hx7 h MET 101 N -0.38 0.67 -0.26 0.00 -1.53 -0.68 0.68 114.93 113.44 3hx7 h MET 101 Ca 0.08 -0.04 -0.13 0.00 -3.44 0.00 0.00 59.70 56.18 3hx7 h MET 101 Cb 0.50 -0.15 -0.00 0.00 -0.55 0.00 0.00 31.60 31.39 3hx7 h MET 101 CO -0.28 0.45 -0.33 0.00 0.14 0.00 0.00 176.91 176.89 3hx7 h ALA 102 N 1.63 0.39 -0.48 0.39 0.00 -0.11 -1.16 119.26 119.91 3hx7 h ALA 102 Ca 0.56 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3hx7 h ALA 102 Cb 0.96 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 3hx7 h ALA 102 CO -0.34 0.44 0.27 1.25 0.00 0.00 0.00 179.25 180.87 3hx7 h LEU 103 N 0.41 0.43 -0.49 0.00 5.85 0.11 -0.59 115.31 121.02 3hx7 h LEU 103 Ca 0.03 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3hx7 h LEU 103 Cb 0.91 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 3hx7 h LEU 103 CO 0.08 0.30 0.25 -0.33 -0.34 0.00 0.00 178.44 178.40 3hx7 h GLU 104 N 0.54 0.69 -0.38 1.25 4.39 -0.86 -1.23 114.58 118.99 3hx7 h GLU 104 Ca 0.20 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 3hx7 h GLU 104 Cb 0.06 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 3hx7 h GLU 104 CO -0.11 0.57 0.19 0.87 -1.16 0.00 0.00 179.01 179.37 3hx7 h LYS 105 N 0.65 0.52 0.28 2.33 1.57 -0.73 0.15 116.57 121.34 3hx7 h LYS 105 Ca 0.17 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 3hx7 h LYS 105 Cb 0.09 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3hx7 h LYS 105 CO -0.02 0.40 -0.14 -0.22 -0.57 0.00 0.00 179.45 178.90 3hx7 h LYS 106 N 0.53 -0.37 -0.33 3.15 3.64 -0.28 -1.88 116.57 121.03 3hx7 h LYS 106 Ca 0.14 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.60 3hx7 h LYS 106 Cb 0.04 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.89 3hx7 h LYS 106 CO -0.02 -0.08 0.03 -0.07 -2.27 0.00 0.00 179.45 177.03 3hx7 h LEU 107 N -0.64 -0.08 -0.87 5.20 3.38 -0.85 -0.68 115.31 120.76 3hx7 h LEU 107 Ca -0.04 0.07 0.13 0.00 0.09 0.00 0.00 57.88 58.13 3hx7 h LEU 107 Cb 0.45 0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.23 3hx7 h LEU 107 CO 0.06 -0.00 0.49 -1.13 0.09 0.00 0.00 178.44 177.95 3hx7 h ASN 108 N 0.13 0.65 -0.56 -0.43 -1.24 -0.64 0.76 115.58 114.24 3hx7 h ASN 108 Ca 0.16 0.07 -0.09 0.00 0.71 0.00 0.00 56.30 57.15 3hx7 h ASN 108 Cb 0.20 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.19 3hx7 h ASN 108 CO -0.25 0.31 -0.00 -0.61 -1.29 0.00 0.00 177.43 175.59 3hx7 h GLN 109 N 0.73 0.99 -0.94 6.67 5.75 -0.40 0.34 115.11 128.25 3hx7 h GLN 109 Ca 0.46 -0.31 0.02 0.00 -0.15 0.00 0.00 58.65 58.67 3hx7 h GLN 109 Cb 0.57 -0.09 -0.05 0.00 1.07 0.00 0.00 27.48 28.98 3hx7 h GLN 109 CO -0.32 0.99 0.62 0.00 -2.65 0.00 0.00 178.83 177.47 3hx7 h ALA 110 N 0.96 1.37 0.02 3.38 0.00 0.48 0.05 119.26 125.52 3hx7 h ALA 110 Ca 0.16 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3hx7 h ALA 110 Cb 0.54 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hx7 h ALA 110 CO 0.03 0.57 -0.01 -0.07 0.00 0.00 0.00 179.25 179.77 3hx7 h LEU 111 N 1.22 -0.02 -1.62 0.00 3.38 -0.48 -1.62 115.31 116.17 3hx7 h LEU 111 Ca 0.36 -0.38 0.09 0.00 0.09 0.00 0.00 57.88 58.04 3hx7 h LEU 111 Cb -0.07 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 3hx7 h LEU 111 CO -0.09 0.37 0.40 -0.07 0.09 0.00 0.00 178.44 179.14 3hx7 h LEU 112 N -0.42 0.39 -0.11 1.67 3.38 -0.46 0.13 115.31 119.89 3hx7 h LEU 112 Ca -0.00 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3hx7 h LEU 112 Cb 0.40 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3hx7 h LEU 112 CO 0.00 0.24 -0.30 0.44 0.09 0.00 0.00 178.44 178.91 3hx7 h ASP 113 N 0.44 0.45 -0.93 -0.43 3.45 -0.88 -1.89 116.42 116.63 3hx7 h ASP 113 Ca 0.27 -0.59 0.02 0.00 0.43 0.00 0.00 57.03 57.16 3hx7 h ASP 113 Cb 0.49 -0.13 -0.05 0.00 -0.56 0.00 0.00 39.33 39.08 3hx7 h ASP 113 CO -0.08 0.96 0.61 0.25 -1.57 0.00 0.00 179.24 179.42 3hx7 h LEU 114 N -0.03 1.05 -0.29 1.55 5.85 -0.43 0.10 115.31 123.11 3hx7 h LEU 114 Ca -0.01 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3hx7 h LEU 114 Cb 0.91 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 3hx7 h LEU 114 CO 0.06 0.75 0.15 -0.74 -0.34 0.00 0.00 178.44 178.33 3hx7 h HIS 115 N 1.24 0.41 -0.84 1.25 2.76 -0.99 0.12 115.15 119.10 3hx7 h HIS 115 Ca 0.35 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.54 3hx7 h HIS 115 Cb -0.11 -0.13 -0.05 0.00 1.55 0.00 0.00 27.41 28.67 3hx7 h HIS 115 CO -0.01 0.35 0.54 0.00 -1.30 0.00 0.00 177.93 177.52 3hx7 h ALA 116 N 1.02 1.12 -0.90 5.26 0.00 -0.46 0.25 119.26 125.55 3hx7 h ALA 116 Ca 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3hx7 h ALA 116 Cb 0.09 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3hx7 h ALA 116 CO -0.01 0.36 0.52 1.25 0.00 0.00 0.00 179.25 181.36 3hx7 h LEU 117 N 1.04 1.10 0.19 0.00 5.85 -0.27 -1.84 115.31 121.38 3hx7 h LEU 117 Ca 0.34 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 3hx7 h LEU 117 Cb 0.03 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.78 3hx7 h LEU 117 CO -0.12 0.86 -0.09 1.23 -0.34 0.00 0.00 178.44 179.98 3hx7 h GLY 118 N 1.25 -0.26 1.19 3.75 0.00 0.12 -1.50 103.07 107.61 3hx7 h GLY 118 Ca 0.32 0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.73 3hx7 h GLY 118 CO -0.06 -0.10 0.39 1.76 0.00 0.00 0.00 176.54 178.53 3hx7 h SER 119 N -0.28 0.95 -0.99 0.19 0.02 -1.05 0.26 113.55 112.66 3hx7 h SER 119 Ca -0.03 -0.09 0.01 0.00 -0.84 0.00 0.00 61.79 60.84 3hx7 h SER 119 Cb 0.21 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.46 3hx7 h SER 119 CO 0.04 0.79 0.64 0.00 -1.14 0.00 0.00 176.83 177.16 3hx7 h ALA 120 N 1.36 1.26 -0.20 3.77 0.00 -1.14 -0.79 119.26 123.53 3hx7 h ALA 120 Ca 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3hx7 h ALA 120 Cb 0.07 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.46 3hx7 h ALA 120 CO -0.04 0.67 0.00 0.54 0.00 0.00 0.00 179.25 180.42 3hx7 n ARG 121 N -4.37 1.72 -3.61 0.00 5.12 -0.58 -4.95 116.66 109.99 3hx7 n ARG 121 Ca 0.12 -1.09 -0.28 0.00 -1.93 0.00 0.00 57.85 54.66 3hx7 n ARG 121 Cb 0.02 -1.36 0.04 0.00 -1.16 0.00 0.00 32.46 30.01 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 0.33 -6.34 -3.75 0.55 -2.24 -0.07 -4.95 114.28 97.80 3hx7 n THR 122 Ca 0.15 -0.95 -0.29 0.00 -2.27 0.00 0.00 64.05 60.69 3hx7 n THR 122 Cb 0.31 -4.66 -0.10 0.00 -2.10 0.00 0.00 70.33 63.78 3hx7 n THR 122 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3hx7 n ASP 123 N -2.69 3.40 0.17 3.42 -0.08 -0.33 -4.94 116.55 115.50 3hx7 n ASP 123 Ca -0.09 -3.26 0.16 0.00 -1.51 0.00 0.00 54.79 50.08 3hx7 n ASP 123 Cb 0.59 -0.78 0.75 0.00 2.34 0.00 0.00 41.12 44.02 3hx7 n ASP 123 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3hx7 h PRO 124 N 5.19 0.00 -0.08 -0.67 0.13 -1.93 -2.10 132.00 132.55 3hx7 h PRO 124 Ca 0.16 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.28 3hx7 h PRO 124 Cb 0.74 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.86 3hx7 h PRO 124 CO 0.77 0.00 -0.02 1.25 -0.23 0.00 0.00 178.00 179.78 3hx7 h HIS 125 N 0.00 0.16 -0.51 1.56 2.76 -1.96 -1.91 115.15 115.25 3hx7 h HIS 125 Ca 0.11 -0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.24 3hx7 h HIS 125 Cb 0.49 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.38 3hx7 h HIS 125 CO 0.00 0.47 0.31 1.25 -1.30 0.00 0.00 177.93 178.66 3hx7 h LEU 126 N -0.18 0.60 0.40 0.26 5.85 -1.81 -0.74 115.31 119.70 3hx7 h LEU 126 Ca 0.02 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3hx7 h LEU 126 Cb 0.41 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3hx7 h LEU 126 CO 0.01 0.48 -0.34 0.00 -0.34 0.00 0.00 178.44 178.24 3hx7 h ASP 128 N -0.75 0.51 -0.30 0.00 3.58 -1.22 0.13 116.42 118.38 3hx7 h ASP 128 Ca -0.03 0.07 0.06 0.00 0.42 0.00 0.00 57.03 57.54 3hx7 h ASP 128 Cb 0.66 -0.02 -0.06 0.00 1.72 0.00 0.00 39.33 41.63 3hx7 h ASP 128 CO -0.03 0.28 -0.06 0.15 -2.88 0.00 0.00 179.24 176.70 3hx7 h PHE 129 N 0.64 -0.13 -0.31 0.28 3.04 -0.71 0.17 116.94 119.91 3hx7 h PHE 129 Ca 0.38 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 62.31 3hx7 h PHE 129 Cb 0.43 0.11 -0.01 0.00 2.56 0.00 0.00 35.95 39.03 3hx7 h PHE 129 CO -0.10 -0.12 0.02 -0.07 -2.02 0.00 0.00 178.31 176.03 3hx7 h LEU 130 N 0.02 0.53 -0.57 0.59 3.38 -0.11 -2.11 115.31 117.03 3hx7 h LEU 130 Ca 0.14 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 57.88 3hx7 h LEU 130 Cb 0.22 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 3hx7 h LEU 130 CO -0.30 0.69 0.29 -0.33 0.09 0.00 0.00 178.44 178.88 3hx7 h GLU 131 N 0.35 0.53 -0.16 1.13 5.08 -0.30 0.29 114.58 121.51 3hx7 h GLU 131 Ca 0.09 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 3hx7 h GLU 131 Cb 0.41 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 3hx7 h GLU 131 CO 0.01 0.35 -0.24 1.15 -1.00 0.00 0.00 179.01 179.28 3hx7 h THR 132 N 0.55 1.35 0.00 1.13 2.02 -0.60 -3.37 112.91 113.99 3hx7 h THR 132 Ca 0.26 -1.47 0.00 0.00 0.77 0.00 0.00 66.41 65.96 3hx7 h THR 132 Cb 0.18 1.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 3hx7 h THR 132 CO -0.18 0.44 -0.59 1.41 0.37 0.00 0.00 175.52 176.96 3hx7 n HIS 133 N -4.44 0.00 0.03 3.16 8.25 -0.80 -4.87 115.22 116.55 3hx7 n HIS 133 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 3hx7 n HIS 133 Cb 0.44 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.52 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 -1.31 -0.04 -0.17 4.41 3.72 -0.03 -4.68 117.46 119.36 3hx7 n PHE 134 Ca 0.02 0.01 -0.10 0.00 -0.05 0.00 0.00 57.45 57.33 3hx7 n PHE 134 Cb 0.18 0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 38.68 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 0.00 -1.53 -0.64 4.37 3.38 -1.40 -1.11 115.31 118.38 3hx7 h LEU 135 Ca 0.00 0.24 -0.12 0.00 0.09 0.00 0.00 57.88 58.08 3hx7 h LEU 135 Cb 0.33 0.67 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3hx7 h LEU 135 CO 0.00 -0.36 -0.28 -0.78 0.09 0.00 0.00 178.44 177.12 3hx7 h ASP 136 N -0.29 0.79 0.07 -0.43 1.82 -1.84 -2.56 116.42 113.98 3hx7 h ASP 136 Ca 0.15 -0.31 -0.04 0.00 -0.39 0.00 0.00 57.03 56.45 3hx7 h ASP 136 Cb 0.57 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.36 3hx7 h ASP 136 CO -0.64 1.02 -0.12 -0.33 -1.61 0.00 0.00 179.24 177.57 3hx7 h GLU 137 N 0.66 0.12 0.02 0.28 4.39 -1.72 -1.24 114.58 117.09 3hx7 h GLU 137 Ca 0.08 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 3hx7 h GLU 137 Cb 0.80 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 3hx7 h GLU 137 CO 0.07 0.25 -0.01 0.93 -1.16 0.00 0.00 179.01 179.09 3hx7 h GLU 138 N 0.12 -0.03 -0.59 2.33 4.39 -0.95 -2.26 114.58 117.59 3hx7 h GLU 138 Ca 0.03 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.79 3hx7 h GLU 138 Cb 0.29 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.89 3hx7 h GLU 138 CO 0.02 0.48 0.30 0.28 -1.16 0.00 0.00 179.01 178.93 3hx7 h VAL 139 N -0.56 0.92 -0.78 3.13 2.07 -1.20 0.18 116.25 120.02 3hx7 h VAL 139 Ca -0.00 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 3hx7 h VAL 139 Cb 0.53 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 3hx7 h VAL 139 CO 0.01 0.10 0.33 0.11 0.02 0.00 0.00 177.57 178.14 3hx7 h LYS 140 N 0.56 1.14 -0.23 1.57 1.57 -1.27 -1.25 116.57 118.67 3hx7 h LYS 140 Ca 0.27 -0.19 -0.13 0.00 -1.87 0.00 0.00 60.65 58.74 3hx7 h LYS 140 Cb 0.20 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 3hx7 h LYS 140 CO -0.20 0.91 -0.35 1.25 -0.57 0.00 0.00 179.45 180.49 3hx7 h LEU 141 N 1.12 0.70 -0.93 2.94 5.85 -0.71 -2.09 115.31 122.19 3hx7 h LEU 141 Ca 0.26 -0.52 0.02 0.00 0.84 0.00 0.00 57.88 58.49 3hx7 h LEU 141 Cb 0.17 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 3hx7 h LEU 141 CO -0.03 1.08 0.61 0.40 -0.34 0.00 0.00 178.44 180.17 3hx7 h ILE 142 N 0.34 1.20 -0.38 4.05 2.04 -0.50 -0.32 117.51 123.93 3hx7 h ILE 142 Ca 0.02 -0.42 -0.10 0.00 1.00 0.00 0.00 64.86 65.36 3hx7 h ILE 142 Cb 0.94 -0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 3hx7 h ILE 142 CO 0.08 0.22 -0.17 0.50 0.00 0.00 0.00 178.15 178.79 3hx7 h LYS 143 N 1.22 0.71 -0.36 2.37 1.63 -1.18 -1.31 116.57 119.66 3hx7 h LYS 143 Ca 0.36 -0.26 -0.05 0.00 -0.85 0.00 0.00 60.65 59.85 3hx7 h LYS 143 Cb -0.07 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.50 3hx7 h LYS 143 CO -0.10 0.84 0.03 -0.22 -3.45 0.00 0.00 179.45 176.55 3hx7 h LYS 144 N 0.64 0.61 -0.47 1.90 3.64 -0.62 -1.68 116.57 120.60 3hx7 h LYS 144 Ca 0.10 -0.18 -0.07 0.00 -1.27 0.00 0.00 60.65 59.23 3hx7 h LYS 144 Cb 0.64 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 3hx7 h LYS 144 CO 0.05 0.71 0.01 0.52 -2.27 0.00 0.00 179.45 178.46 3hx7 h MET 145 N 0.43 0.76 -0.57 1.90 2.86 -0.92 -1.50 114.93 117.90 3hx7 h MET 145 Ca 0.10 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 3hx7 h MET 145 Cb 0.41 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 3hx7 h MET 145 CO 0.01 0.77 0.22 0.78 1.06 0.00 0.00 176.91 179.76 3hx7 h GLY 146 N 0.96 0.92 0.89 8.32 0.00 -1.05 -0.85 103.07 112.26 3hx7 h GLY 146 Ca 0.14 -0.51 0.03 0.00 0.00 0.00 0.00 47.33 46.99 3hx7 h GLY 146 CO 0.02 0.48 0.40 -0.55 0.00 0.00 0.00 176.54 176.89 3hx7 h ASP 147 N 0.79 0.67 -0.71 0.19 3.32 -0.77 -1.70 116.42 118.21 3hx7 h ASP 147 Ca 0.19 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 3hx7 h ASP 147 Cb 0.21 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 3hx7 h ASP 147 CO -0.01 0.47 0.38 0.45 -1.72 0.00 0.00 179.24 178.80 3hx7 h HIS 148 N 0.80 0.98 -0.68 4.55 3.86 -0.69 -1.33 115.15 122.63 3hx7 h HIS 148 Ca 0.26 -0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.40 3hx7 h HIS 148 Cb 0.01 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.14 3hx7 h HIS 148 CO -0.05 0.70 0.25 -0.07 0.86 0.00 0.00 177.93 179.62 3hx7 h LEU 149 N 0.97 0.95 -0.87 2.43 3.38 -0.75 -0.31 115.31 121.12 3hx7 h LEU 149 Ca 0.25 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3hx7 h LEU 149 Cb 0.05 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3hx7 h LEU 149 CO -0.04 0.88 0.20 0.74 0.09 0.00 0.00 178.44 180.31 3hx7 h THR 150 N 0.97 1.25 -0.07 0.22 2.02 -0.86 -1.72 112.91 114.72 3hx7 h THR 150 Ca 0.22 -0.87 -0.20 0.00 0.77 0.00 0.00 66.41 66.34 3hx7 h THR 150 Cb 0.24 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 67.16 3hx7 h THR 150 CO -0.01 0.34 -0.78 0.78 0.37 0.00 0.00 175.52 176.21 3hx7 h ASN 151 N 1.00 0.53 0.36 4.18 2.35 -0.99 -2.83 115.58 120.18 3hx7 h ASN 151 Ca 0.22 -0.36 -0.02 0.00 -0.55 0.00 0.00 56.30 55.59 3hx7 h ASN 151 Cb 0.29 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.51 3hx7 h ASN 151 CO -0.01 1.12 -0.17 -0.07 -1.65 0.00 0.00 177.43 176.65 3hx7 h LEU 152 N 0.29 -0.41 -0.71 1.61 3.38 -0.75 -2.57 115.31 116.14 3hx7 h LEU 152 Ca -0.04 -0.06 0.10 0.00 0.09 0.00 0.00 57.88 57.96 3hx7 h LEU 152 Cb 1.37 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 42.15 3hx7 h LEU 152 CO 0.14 -0.19 0.34 -0.74 0.09 0.00 0.00 178.44 178.08 3hx7 h HIS 153 N -0.62 0.61 -0.17 1.13 2.76 -1.40 0.63 115.15 118.09 3hx7 h HIS 153 Ca -0.05 0.03 0.05 0.00 -2.20 0.00 0.00 60.37 58.20 3hx7 h HIS 153 Cb 0.45 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.24 3hx7 h HIS 153 CO -0.02 0.20 0.15 -0.09 -1.30 0.00 0.00 177.93 176.87 3hx7 h ARG 154 N 0.57 0.00 -0.00 5.26 2.43 -1.35 -3.52 114.38 117.78 3hx7 h ARG 154 Ca 0.36 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 3hx7 h ARG 154 Cb 0.40 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3hx7 h ARG 154 CO -0.29 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.45