#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx7 s MET 1 N 0.00 4.30 0.21 5.56 -1.94 -1.26 -5.05 119.30 121.12 3hx7 s MET 1 Ca 0.00 0.67 -0.30 0.00 -1.71 0.00 0.00 55.69 54.34 3hx7 s MET 1 Cb 0.00 -3.36 -0.09 0.00 2.01 0.00 0.00 34.83 33.39 3hx7 s MET 1 CO 0.00 0.33 1.30 -1.12 -0.01 0.00 0.00 175.02 175.52 3hx7 s SER 2 N -0.02 6.90 0.44 3.03 0.01 -1.26 -4.98 113.70 117.83 3hx7 s SER 2 Ca 0.30 2.41 -0.25 0.00 1.31 0.00 0.00 55.95 59.72 3hx7 s SER 2 Cb -0.17 -2.61 -0.08 0.00 0.21 0.00 0.00 66.02 63.36 3hx7 s SER 2 CO 0.16 -0.52 1.36 -0.94 0.41 0.00 0.00 173.24 173.71 3hx7 s SER 3 N 0.26 6.02 0.32 2.44 1.04 -1.26 -4.84 113.70 117.68 3hx7 s SER 3 Ca 0.56 2.78 0.11 0.00 0.48 0.00 0.00 55.95 59.88 3hx7 s SER 3 Cb -0.36 -2.64 0.60 0.00 0.10 0.00 0.00 66.02 63.71 3hx7 s SER 3 CO 0.39 -1.06 1.21 0.00 0.98 0.00 0.00 173.24 174.76 3hx7 n GLN 4 N -0.12 0.08 -0.00 4.02 10.64 -1.26 -0.81 117.38 129.92 3hx7 n GLN 4 Ca 0.05 0.55 0.05 0.00 -1.83 0.00 0.00 57.00 55.82 3hx7 n GLN 4 Cb 0.43 -2.11 -0.07 0.00 -0.86 0.00 0.00 30.24 27.64 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 -1.99 0.00 -1.76 -0.39 -5.35 -1.26 -5.01 119.36 103.59 3hx7 n ILE 5 Ca -0.01 -0.24 -0.41 0.00 -0.27 0.00 0.00 62.75 61.82 3hx7 n ILE 5 Cb 0.37 0.92 -0.00 0.00 -1.74 0.00 0.00 39.64 39.19 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 -1.33 2.63 -3.44 6.28 0.63 0.01 -4.81 116.66 116.63 3hx7 n ARG 6 Ca 0.02 0.93 0.01 0.00 -0.92 0.00 0.00 57.85 57.88 3hx7 n ARG 6 Cb 0.19 -2.66 -0.03 0.00 0.45 0.00 0.00 32.46 30.41 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 -1.70 0.47 -1.60 -0.14 0.74 -1.26 -4.93 119.66 111.23 3hx7 s GLN 7 Ca 0.56 1.07 0.00 0.00 0.05 0.00 0.00 55.36 57.04 3hx7 s GLN 7 Cb -0.49 0.64 0.00 0.00 1.10 0.00 0.00 33.01 34.26 3hx7 s GLN 7 CO 0.60 -0.26 0.00 -1.71 -0.55 0.00 0.00 175.29 173.37 3hx7 n ASN 8 N 5.32 -4.84 -4.22 6.67 2.85 -1.26 -4.96 115.26 114.82 3hx7 n ASN 8 Ca -0.08 0.32 -0.42 0.00 -0.11 0.00 0.00 54.58 54.29 3hx7 n ASN 8 Cb 0.51 -3.75 -0.07 0.00 1.24 0.00 0.00 39.78 37.71 3hx7 n ASN 8 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 3hx7 s TYR 9 N -2.61 3.49 0.55 1.20 5.04 -1.26 -4.82 117.35 118.94 3hx7 s TYR 9 Ca 0.00 -2.05 -0.22 0.00 -2.44 0.00 0.00 57.07 52.37 3hx7 s TYR 9 Cb 0.00 -3.54 -0.05 0.00 0.35 0.00 0.00 41.96 38.73 3hx7 s TYR 9 CO 0.00 -0.96 1.36 -1.54 -1.34 0.00 0.00 175.55 173.07 3hx7 s SER 10 N 2.18 5.24 0.51 4.32 1.04 -1.26 -4.87 113.70 120.86 3hx7 s SER 10 Ca 0.11 2.78 0.26 0.00 0.48 0.00 0.00 55.95 59.58 3hx7 s SER 10 Cb -0.21 -2.64 1.37 0.00 0.10 0.00 0.00 66.02 64.64 3hx7 s SER 10 CO -0.03 -1.59 2.04 0.71 0.98 0.00 0.00 173.24 175.35 3hx7 h THR 11 N 1.43 0.59 0.05 2.02 1.35 -1.99 -1.92 112.91 114.45 3hx7 h THR 11 Ca -0.51 -0.61 -0.00 0.00 -0.55 0.00 0.00 66.41 64.74 3hx7 h THR 11 Cb 1.30 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 3hx7 h THR 11 CO 0.57 0.13 -0.03 0.44 -0.25 0.00 0.00 175.52 176.39 3hx7 h ASP 12 N 0.00 -0.06 0.27 5.36 3.45 -1.99 -2.24 116.42 121.21 3hx7 h ASP 12 Ca -0.00 -0.31 -0.01 0.00 0.43 0.00 0.00 57.03 57.13 3hx7 h ASP 12 Cb 0.38 0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.17 3hx7 h ASP 12 CO 0.02 0.28 -0.13 0.58 -1.57 0.00 0.00 179.24 178.42 3hx7 h VAL 13 N -0.41 0.73 -0.88 -1.35 2.07 -1.88 -1.02 116.25 113.52 3hx7 h VAL 13 Ca -0.01 -0.01 0.22 0.00 0.82 0.00 0.00 66.70 67.73 3hx7 h VAL 13 Cb 0.37 0.74 -0.16 0.00 -1.52 0.00 0.00 31.29 30.72 3hx7 h VAL 13 CO 0.01 0.00 0.03 -0.08 0.02 0.00 0.00 177.57 177.56 3hx7 h GLU 14 N -0.37 0.07 -0.07 1.57 4.81 -1.35 0.50 114.58 119.74 3hx7 h GLU 14 Ca -0.04 -0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.05 3hx7 h GLU 14 Cb 0.29 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 3hx7 h GLU 14 CO 0.06 0.05 -0.58 0.00 -0.73 0.00 0.00 179.01 177.81 3hx7 h ALA 15 N 1.84 0.89 -0.50 2.92 0.00 -1.04 -2.81 119.26 120.55 3hx7 h ALA 15 Ca 0.51 -0.53 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 3hx7 h ALA 15 Cb 0.98 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3hx7 h ALA 15 CO -0.78 0.72 -0.16 0.00 0.00 0.00 0.00 179.25 179.02 3hx7 h ALA 16 N 1.23 0.76 0.50 0.00 0.00 0.12 -1.98 119.26 119.89 3hx7 h ALA 16 Ca -0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 3hx7 h ALA 16 Cb 1.07 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3hx7 h ALA 16 CO 0.09 0.67 -0.24 0.28 0.00 0.00 0.00 179.25 180.05 3hx7 h VAL 17 N 0.87 0.51 -0.05 0.00 2.07 -0.73 0.39 116.25 119.30 3hx7 h VAL 17 Ca 0.12 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.65 3hx7 h VAL 17 Cb 0.73 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3hx7 h VAL 17 CO 0.06 0.00 0.06 0.78 0.02 0.00 0.00 177.57 178.49 3hx7 h ASN 18 N -0.68 0.00 0.05 0.57 2.35 -1.48 0.49 115.58 116.88 3hx7 h ASN 18 Ca -0.07 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3hx7 h ASN 18 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 3hx7 h ASN 18 CO 0.11 0.00 -0.02 -1.28 -1.65 0.00 0.00 177.43 174.59 3hx7 h SER 19 N 0.00 -0.05 -0.62 5.81 0.87 -0.53 -2.74 113.55 116.29 3hx7 h SER 19 Ca 0.03 -0.44 0.03 0.00 -1.23 0.00 0.00 61.79 60.17 3hx7 h SER 19 Cb 0.14 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.07 3hx7 h SER 19 CO -0.00 0.43 0.38 0.25 -0.53 0.00 0.00 176.83 177.36 3hx7 h LEU 20 N -0.55 0.63 -0.90 2.23 5.85 0.22 -1.54 115.31 121.25 3hx7 h LEU 20 Ca -0.01 0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.86 3hx7 h LEU 20 Cb 0.49 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 41.29 3hx7 h LEU 20 CO 0.01 0.44 0.50 0.58 -0.34 0.00 0.00 178.44 179.63 3hx7 h VAL 21 N 0.76 0.77 -0.31 1.05 2.07 -0.13 0.26 116.25 120.72 3hx7 h VAL 21 Ca 0.25 -0.25 -0.14 0.00 0.82 0.00 0.00 66.70 67.38 3hx7 h VAL 21 Cb 0.01 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 3hx7 h VAL 21 CO -0.10 0.13 -0.39 -1.13 0.02 0.00 0.00 177.57 176.10 3hx7 h ASN 22 N 0.72 0.78 -0.43 0.57 -0.73 -1.04 -0.75 115.58 114.70 3hx7 h ASN 22 Ca 0.49 -0.35 -0.00 0.00 1.87 0.00 0.00 56.30 58.30 3hx7 h ASN 22 Cb 0.66 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 39.01 3hx7 h ASN 22 CO -0.34 1.08 0.26 0.25 -0.37 0.00 0.00 177.43 178.31 3hx7 h LEU 23 N 0.60 0.52 -0.10 0.34 5.85 0.35 -1.06 115.31 121.81 3hx7 h LEU 23 Ca 0.05 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3hx7 h LEU 23 Cb 0.94 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 3hx7 h LEU 23 CO 0.09 0.43 0.01 1.88 -0.34 0.00 0.00 178.44 180.50 3hx7 h TYR 24 N 0.58 0.19 -0.92 1.25 -1.99 -0.85 -0.80 116.97 114.43 3hx7 h TYR 24 Ca 0.16 -0.03 0.20 0.00 2.00 0.00 0.00 58.73 61.06 3hx7 h TYR 24 Cb -0.00 -0.05 -0.07 0.00 2.00 0.00 0.00 36.73 38.61 3hx7 h TYR 24 CO -0.03 0.41 0.60 -0.07 -0.00 0.00 0.00 178.16 179.08 3hx7 h LEU 25 N -0.08 0.46 0.04 3.88 3.38 -0.82 0.15 115.31 122.32 3hx7 h LEU 25 Ca 0.03 0.05 -0.28 0.00 0.09 0.00 0.00 57.88 57.77 3hx7 h LEU 25 Cb 0.33 -0.03 0.02 0.00 0.09 0.00 0.00 40.66 41.07 3hx7 h LEU 25 CO 0.00 0.18 -1.15 -0.61 0.09 0.00 0.00 178.44 176.95 3hx7 h GLN 26 N 0.45 0.56 -0.14 1.13 4.15 -0.80 -2.61 115.11 117.85 3hx7 h GLN 26 Ca 0.49 -0.70 0.00 0.00 0.77 0.00 0.00 58.65 59.20 3hx7 h GLN 26 Cb 1.15 0.22 -0.01 0.00 0.21 0.00 0.00 27.48 29.06 3hx7 h GLN 26 CO -0.21 1.30 0.09 0.00 -1.93 0.00 0.00 178.83 178.09 3hx7 h ALA 27 N 0.43 0.18 -0.40 3.38 0.00 0.45 -0.59 119.26 122.72 3hx7 h ALA 27 Ca -0.15 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.82 3hx7 h ALA 27 Cb 1.82 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 19.48 3hx7 h ALA 27 CO 0.21 -0.33 -0.07 1.03 0.00 0.00 0.00 179.25 180.10 3hx7 h SER 28 N 0.18 -0.31 -0.50 0.00 0.87 -0.82 0.31 113.55 113.28 3hx7 h SER 28 Ca 0.05 0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 3hx7 h SER 28 Cb -0.01 0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 3hx7 h SER 28 CO -0.01 -0.11 0.30 0.22 -0.53 0.00 0.00 176.83 176.70 3hx7 h TYR 29 N 0.03 0.67 -0.35 2.24 3.20 -1.13 0.26 116.97 121.89 3hx7 h TYR 29 Ca 0.19 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.03 3hx7 h TYR 29 Cb 0.29 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 3hx7 h TYR 29 CO -0.33 0.46 0.07 1.15 -1.64 0.00 0.00 178.16 177.88 3hx7 h THR 30 N 0.71 1.23 -0.62 1.81 2.02 0.61 -1.97 112.91 116.70 3hx7 h THR 30 Ca 0.19 -0.79 -0.08 0.00 0.77 0.00 0.00 66.41 66.50 3hx7 h THR 30 Cb -0.01 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 3hx7 h THR 30 CO -0.03 0.27 0.09 1.88 0.37 0.00 0.00 175.52 178.09 3hx7 h TYR 31 N 0.42 1.10 -0.95 3.16 0.05 -0.22 -0.44 116.97 120.09 3hx7 h TYR 31 Ca 0.11 -0.16 0.06 0.00 0.05 0.00 0.00 58.73 58.79 3hx7 h TYR 31 Cb 0.32 -0.30 -0.06 0.00 1.01 0.00 0.00 36.73 37.70 3hx7 h TYR 31 CO 0.02 0.95 0.61 1.25 -1.05 0.00 0.00 178.16 179.94 3hx7 h LEU 32 N 0.94 0.99 -0.15 3.88 5.85 -0.30 0.34 115.31 126.86 3hx7 h LEU 32 Ca 0.19 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 3hx7 h LEU 32 Cb 0.45 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3hx7 h LEU 32 CO 0.01 0.65 -0.01 -1.28 -0.34 0.00 0.00 178.44 177.47 3hx7 h SER 33 N 1.14 0.27 -0.48 1.25 0.87 -0.80 -2.46 113.55 113.33 3hx7 h SER 33 Ca 0.40 -0.32 0.06 0.00 -1.23 0.00 0.00 61.79 60.70 3hx7 h SER 33 Cb 0.12 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 61.95 3hx7 h SER 33 CO -0.16 0.53 0.20 -0.07 -0.53 0.00 0.00 176.83 176.80 3hx7 h LEU 34 N 0.01 0.23 -0.00 2.23 3.38 -0.50 -1.84 115.31 118.81 3hx7 h LEU 34 Ca 0.04 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.07 3hx7 h LEU 34 Cb 0.40 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3hx7 h LEU 34 CO 0.01 0.16 -0.16 1.23 0.09 0.00 0.00 178.44 179.77 3hx7 h GLY 35 N 0.39 -1.32 2.00 0.83 0.00 -0.17 -1.30 103.07 103.49 3hx7 h GLY 35 Ca 0.23 0.62 0.00 0.00 0.00 0.00 0.00 47.33 48.18 3hx7 h GLY 35 CO -0.21 -0.44 0.00 0.69 0.00 0.00 0.00 176.54 176.58 3hx7 n PHE 36 N -3.41 0.03 -0.04 5.60 3.01 -0.94 -2.03 117.46 119.69 3hx7 n PHE 36 Ca -0.02 0.01 -0.14 0.00 1.01 0.00 0.00 57.45 58.31 3hx7 n PHE 36 Cb 0.12 -0.52 -0.09 0.00 -0.01 0.00 0.00 39.48 38.98 3hx7 n PHE 36 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 3hx7 h TYR 37 N 0.00 0.39 0.00 1.38 3.20 -0.37 -3.07 116.97 118.49 3hx7 h TYR 37 Ca 0.00 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.71 3hx7 h TYR 37 Cb 0.09 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.29 3hx7 h TYR 37 CO 0.00 0.86 0.00 0.74 -1.64 0.00 0.00 178.16 178.12 3hx7 h PHE 38 N -0.20 0.00 -0.00 -3.82 0.04 -1.14 -2.21 116.94 109.62 3hx7 h PHE 38 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 3hx7 h PHE 38 Cb 0.87 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.02 3hx7 h PHE 38 CO 0.12 0.00 -0.03 -3.47 -0.60 0.00 0.00 178.31 174.33 3hx7 n ASP 39 N -2.43 0.04 -4.76 2.17 4.64 -1.17 -1.94 116.55 113.11 3hx7 n ASP 39 Ca 0.02 0.40 -0.40 0.00 -1.38 0.00 0.00 54.79 53.44 3hx7 n ASP 39 Cb 0.28 -0.43 0.02 0.00 -1.04 0.00 0.00 41.12 39.94 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 -1.48 2.16 0.24 -0.67 1.74 -0.83 -4.70 116.66 113.11 3hx7 n ARG 40 Ca 0.07 0.77 0.07 0.00 -0.77 0.00 0.00 57.85 58.00 3hx7 n ARG 40 Cb 0.33 -2.61 0.59 0.00 -1.02 0.00 0.00 32.46 29.75 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 2.17 0.00 -0.10 0.55 2.03 -1.89 0.50 116.42 119.67 3hx7 h ASP 41 Ca -0.51 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.79 3hx7 h ASP 41 Cb 1.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 3hx7 h ASP 41 CO 0.60 0.13 0.00 -0.90 -1.03 0.00 0.00 179.24 178.04 3hx7 n ASP 42 N -4.25 1.33 -0.01 4.15 3.85 -1.26 -4.04 116.55 116.31 3hx7 n ASP 42 Ca -0.03 -1.59 -0.02 0.00 -0.71 0.00 0.00 54.79 52.45 3hx7 n ASP 42 Cb 0.20 -0.06 -0.01 0.00 -1.35 0.00 0.00 41.12 39.90 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 0.08 0.09 -3.03 2.12 0.31 -0.76 -5.09 118.33 112.05 3hx7 n VAL 43 Ca 0.17 -0.03 -0.20 0.00 -0.01 0.00 0.00 64.34 64.28 3hx7 n VAL 43 Cb 0.29 -1.23 0.01 0.00 -0.91 0.00 0.00 33.84 32.00 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 -2.91 -2.01 -3.35 3.52 0.00 0.17 -4.95 120.51 110.98 3hx7 n ALA 44 Ca -0.03 -0.02 -0.26 0.00 0.00 0.00 0.00 53.44 53.13 3hx7 n ALA 44 Cb 0.52 -0.82 -0.08 0.00 0.00 0.00 0.00 19.45 19.07 3hx7 n ALA 44 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hx7 n LEU 45 N -1.15 0.86 -0.41 0.00 4.77 -0.82 -4.96 117.00 115.29 3hx7 n LEU 45 Ca -0.15 -4.78 0.34 0.00 -0.03 0.00 0.00 56.01 51.39 3hx7 n LEU 45 Cb 0.44 0.27 0.65 0.00 -2.33 0.00 0.00 43.42 42.45 3hx7 n LEU 45 CO 0.38 1.99 1.28 -0.08 -1.33 0.00 0.00 177.39 179.63 3hx7 h GLU 46 N 4.58 0.14 0.21 3.23 4.81 -1.93 -0.57 114.58 125.05 3hx7 h GLU 46 Ca 0.15 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3hx7 h GLU 46 Cb 0.84 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.19 3hx7 h GLU 46 CO 0.52 0.09 -0.10 0.78 -0.73 0.00 0.00 179.01 179.57 3hx7 h GLY 47 N 0.14 -0.30 0.87 1.92 0.00 -1.95 0.00 103.07 103.76 3hx7 h GLY 47 Ca 0.71 0.11 -0.01 0.00 0.00 0.00 0.00 47.33 48.14 3hx7 h GLY 47 CO -0.23 -0.11 0.05 -2.08 0.00 0.00 0.00 176.54 174.16 3hx7 h VAL 48 N -0.40 1.14 -0.57 4.60 2.07 -1.57 -2.34 116.25 119.19 3hx7 h VAL 48 Ca -0.03 -0.43 0.11 0.00 0.82 0.00 0.00 66.70 67.17 3hx7 h VAL 48 Cb 0.31 1.22 -0.09 0.00 -1.52 0.00 0.00 31.29 31.21 3hx7 h VAL 48 CO 0.05 0.13 0.03 -1.28 0.02 0.00 0.00 177.57 176.52 3hx7 h SER 49 N 0.03 -0.18 -0.39 0.57 0.87 -1.14 0.14 113.55 113.45 3hx7 h SER 49 Ca 0.04 0.13 -0.04 0.00 -1.23 0.00 0.00 61.79 60.69 3hx7 h SER 49 Cb 0.16 0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 3hx7 h SER 49 CO -0.00 -0.07 0.12 -0.74 -0.53 0.00 0.00 176.83 175.61 3hx7 h HIS 50 N 0.15 0.70 -0.27 2.24 6.17 -0.86 -1.47 115.15 121.80 3hx7 h HIS 50 Ca 0.29 -0.05 0.01 0.00 0.71 0.00 0.00 60.37 61.33 3hx7 h HIS 50 Cb 0.45 -0.21 -0.02 0.00 2.52 0.00 0.00 27.41 30.16 3hx7 h HIS 50 CO -0.32 0.59 0.16 0.35 0.71 0.00 0.00 177.93 179.43 3hx7 h PHE 51 N 0.67 0.31 -0.22 5.26 3.57 -0.20 -0.71 116.94 125.63 3hx7 h PHE 51 Ca 0.15 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.56 3hx7 h PHE 51 Cb 0.24 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 3hx7 h PHE 51 CO 0.01 0.19 -0.26 0.74 -2.23 0.00 0.00 178.31 176.75 3hx7 h PHE 52 N 0.34 0.68 0.00 0.41 0.05 -1.02 -2.24 116.94 115.16 3hx7 h PHE 52 Ca 0.10 -0.22 -0.01 0.00 3.82 0.00 0.00 57.97 61.67 3hx7 h PHE 52 Cb -0.01 -0.14 -0.00 0.00 2.00 0.00 0.00 35.95 37.80 3hx7 h PHE 52 CO -0.07 0.93 -0.04 0.00 -0.18 0.00 0.00 178.31 178.95 3hx7 h ARG 53 N 0.25 0.00 0.09 1.51 3.08 -1.15 0.25 114.38 118.40 3hx7 h ARG 53 Ca 0.03 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.80 3hx7 h ARG 53 Cb 0.83 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.90 3hx7 h ARG 53 CO 0.06 0.04 -1.18 1.49 -1.07 0.00 0.00 179.97 179.31 3hx7 h GLU 54 N 0.00 0.56 -0.39 0.04 4.22 -0.97 -3.02 114.58 115.02 3hx7 h GLU 54 Ca -0.00 -0.72 -0.11 0.00 0.08 0.00 0.00 59.36 58.61 3hx7 h GLU 54 Cb 0.12 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3hx7 h GLU 54 CO 0.00 1.31 -0.21 -0.07 -2.18 0.00 0.00 179.01 177.86 3hx7 h LEU 55 N 0.26 0.77 -0.45 1.64 3.38 -0.06 -2.25 115.31 118.60 3hx7 h LEU 55 Ca -0.16 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.59 3hx7 h LEU 55 Cb 1.85 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 42.34 3hx7 h LEU 55 CO 0.22 0.96 0.19 0.00 0.09 0.00 0.00 178.44 179.90 3hx7 h ALA 56 N 1.10 0.55 0.00 1.53 0.00 -0.69 -0.20 119.26 121.56 3hx7 h ALA 56 Ca 0.09 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3hx7 h ALA 56 Cb 0.71 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3hx7 h ALA 56 CO 0.05 -0.19 -0.21 1.49 0.00 0.00 0.00 179.25 180.40 3hx7 h GLU 57 N 0.38 0.00 -0.10 0.00 4.57 -1.35 -2.17 114.58 115.91 3hx7 h GLU 57 Ca 0.21 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.22 3hx7 h GLU 57 Cb 0.17 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 3hx7 h GLU 57 CO -0.18 0.21 -0.66 0.93 -1.18 0.00 0.00 179.01 178.12 3hx7 h GLU 58 N 0.00 0.40 -0.32 1.92 5.08 -0.49 -2.31 114.58 118.85 3hx7 h GLU 58 Ca -0.00 -0.30 -0.15 0.00 -1.00 0.00 0.00 59.36 57.92 3hx7 h GLU 58 Cb 0.57 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 3hx7 h GLU 58 CO 0.03 0.92 -0.37 0.87 -1.00 0.00 0.00 179.01 179.46 3hx7 h LYS 59 N 0.28 0.82 -0.06 2.33 1.79 -0.72 -2.09 116.57 118.93 3hx7 h LYS 59 Ca -0.02 -0.45 -0.00 0.00 -2.18 0.00 0.00 60.65 58.00 3hx7 h LYS 59 Cb 1.22 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.89 3hx7 h LYS 59 CO 0.11 1.09 0.01 -0.09 -1.08 0.00 0.00 179.45 179.49 3hx7 h ARG 60 N 0.60 0.08 0.00 3.15 2.43 -1.33 0.18 114.38 119.49 3hx7 h ARG 60 Ca 0.05 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.07 3hx7 h ARG 60 Cb 0.96 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.47 3hx7 h ARG 60 CO 0.09 0.08 -0.67 0.93 -1.51 0.00 0.00 179.97 178.88 3hx7 h GLU 61 N 0.08 0.00 0.13 0.20 5.08 -1.17 -2.66 114.58 116.24 3hx7 h GLU 61 Ca 0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3hx7 h GLU 61 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3hx7 h GLU 61 CO -0.00 0.67 -0.06 0.78 -1.00 0.00 0.00 179.01 179.40 3hx7 h GLY 62 N 2.76 -0.19 1.91 -3.84 0.00 -0.04 -2.17 103.07 101.50 3hx7 h GLY 62 Ca -0.01 0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.33 3hx7 h GLY 62 CO 0.09 -0.07 -0.27 0.10 0.00 0.00 0.00 176.54 176.39 3hx7 h TYR 63 N -0.76 0.12 0.00 5.60 -0.00 -1.05 -0.70 116.97 120.17 3hx7 h TYR 63 Ca -0.02 -0.02 -0.06 0.00 0.00 0.00 0.00 58.73 58.64 3hx7 h TYR 63 Cb 0.54 -0.03 -0.01 0.00 0.00 0.00 0.00 36.73 37.23 3hx7 h TYR 63 CO 0.09 0.37 -0.27 0.93 -0.00 0.00 0.00 178.16 179.28 3hx7 h GLU 64 N 0.10 0.00 0.06 0.10 5.08 -1.52 0.52 114.58 118.92 3hx7 h GLU 64 Ca 0.02 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.13 3hx7 h GLU 64 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3hx7 h GLU 64 CO 0.04 0.27 -1.06 -0.09 -1.00 0.00 0.00 179.01 177.17 3hx7 h ARG 65 N 0.00 0.31 -0.06 2.33 2.43 -0.49 -2.30 114.38 116.60 3hx7 h ARG 65 Ca -0.00 -0.41 -0.03 0.00 -0.81 0.00 0.00 59.98 58.72 3hx7 h ARG 65 Cb 0.71 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.39 3hx7 h ARG 65 CO 0.03 1.13 -0.10 -0.07 -1.51 0.00 0.00 179.97 179.45 3hx7 h LEU 66 N 0.14 0.19 -1.25 3.80 3.38 -0.54 -1.53 115.31 119.51 3hx7 h LEU 66 Ca -0.10 -0.54 0.02 0.00 0.09 0.00 0.00 57.88 57.35 3hx7 h LEU 66 Cb 1.73 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 42.39 3hx7 h LEU 66 CO 0.17 0.70 0.52 -0.07 0.09 0.00 0.00 178.44 179.85 3hx7 h LEU 67 N -0.31 0.86 -0.58 1.67 3.38 -1.00 0.25 115.31 119.59 3hx7 h LEU 67 Ca 0.00 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 3hx7 h LEU 67 Cb 0.66 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3hx7 h LEU 67 CO 0.02 0.61 -0.20 0.50 0.09 0.00 0.00 178.44 179.47 3hx7 h LYS 68 N 1.01 0.93 -0.49 1.13 3.64 -1.33 -2.81 116.57 118.65 3hx7 h LYS 68 Ca 0.30 -0.38 -0.05 0.00 -1.27 0.00 0.00 60.65 59.25 3hx7 h LYS 68 Cb -0.05 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 3hx7 h LYS 68 CO -0.08 1.04 0.11 1.98 -2.27 0.00 0.00 179.45 180.23 3hx7 h MET 69 N 0.81 0.79 -0.04 1.90 4.05 -0.41 -2.89 114.93 119.15 3hx7 h MET 69 Ca 0.11 -0.20 0.02 0.00 -0.28 0.00 0.00 59.70 59.35 3hx7 h MET 69 Cb 0.75 -0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 31.41 3hx7 h MET 69 CO 0.06 0.78 -0.40 0.37 0.23 0.00 0.00 176.91 177.94 3hx7 h GLN 70 N 0.68 -0.46 -0.44 0.39 5.75 -0.73 -0.83 115.11 119.45 3hx7 h GLN 70 Ca 0.15 0.03 0.13 0.00 -0.15 0.00 0.00 58.65 58.81 3hx7 h GLN 70 Cb 0.35 0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.99 3hx7 h GLN 70 CO 0.00 -0.31 0.34 -0.91 -2.65 0.00 0.00 178.83 175.31 3hx7 h ASN 71 N -0.48 0.00 -0.32 -0.69 4.21 -1.50 -0.86 115.58 115.93 3hx7 h ASN 71 Ca 0.01 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.40 3hx7 h ASN 71 Cb 0.53 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.72 3hx7 h ASN 71 CO -0.29 0.00 -0.29 1.56 -1.29 0.00 0.00 177.43 177.13 3hx7 h GLN 72 N 0.00 0.77 0.00 0.81 4.20 -0.97 -3.12 115.11 116.80 3hx7 h GLN 72 Ca 0.21 -0.39 -0.10 0.00 0.06 0.00 0.00 58.65 58.43 3hx7 h GLN 72 Cb 0.89 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.66 3hx7 h GLN 72 CO -0.00 1.01 -0.49 0.00 -0.67 0.00 0.00 178.83 178.69 3hx7 h ARG 73 N 0.53 0.00 0.00 1.46 2.47 -0.22 -3.47 114.38 115.15 3hx7 h ARG 73 Ca 0.06 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 3hx7 h ARG 73 Cb 0.86 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.18 3hx7 h ARG 73 CO 0.07 0.49 0.00 0.41 0.56 0.00 0.00 179.97 181.50 3hx7 n GLY 74 N 0.51 2.05 3.44 0.04 0.00 -0.64 -3.77 105.19 106.82 3hx7 n GLY 74 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3hx7 n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hx7 n GLY 75 N -0.01 -1.93 3.20 -0.02 0.00 -1.01 -4.62 105.19 100.79 3hx7 n GLY 75 Ca 0.00 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 3hx7 n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hx7 s ARG 76 N -4.09 2.63 0.18 1.61 1.81 -1.26 -4.21 118.95 115.62 3hx7 s ARG 76 Ca 0.64 -0.81 -0.30 0.00 -1.72 0.00 0.00 55.73 53.54 3hx7 s ARG 76 Cb -0.21 -2.08 -0.08 0.00 -0.45 0.00 0.00 34.95 32.13 3hx7 s ARG 76 CO 0.65 0.22 1.18 0.00 -0.68 0.00 0.00 175.30 176.67 3hx7 s ALA 77 N 0.21 3.42 -0.08 2.13 0.00 -1.26 -4.99 121.76 121.19 3hx7 s ALA 77 Ca -0.13 0.92 -0.01 0.00 0.00 0.00 0.00 51.96 52.74 3hx7 s ALA 77 Cb -0.16 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.58 3hx7 s ALA 77 CO 0.06 -0.35 -0.01 -0.51 0.00 0.00 0.00 175.76 174.95 3hx7 s LEU 78 N -0.19 0.72 -0.13 0.00 1.43 -1.26 -5.14 118.68 114.11 3hx7 s LEU 78 Ca 0.52 -0.12 -0.06 0.00 -1.03 0.00 0.00 54.13 53.44 3hx7 s LEU 78 Cb -0.32 -0.51 -0.04 0.00 0.03 0.00 0.00 46.19 45.35 3hx7 s LEU 78 CO 0.36 -0.17 0.10 -0.36 0.23 0.00 0.00 176.35 176.50 3hx7 s PHE 79 N 1.88 3.44 0.30 0.29 0.08 -1.26 -4.91 117.98 117.79 3hx7 s PHE 79 Ca 0.04 0.38 0.10 0.00 0.12 0.00 0.00 56.93 57.57 3hx7 s PHE 79 Cb -0.12 -1.95 -0.05 0.00 -0.57 0.00 0.00 43.02 40.33 3hx7 s PHE 79 CO -0.05 0.56 -0.05 -0.65 -0.10 0.00 0.00 175.22 174.92 3hx7 s GLN 80 N -0.67 2.05 0.60 0.44 -1.52 -1.26 -5.10 119.66 114.20 3hx7 s GLN 80 Ca 0.12 -1.64 -0.18 0.00 -1.95 0.00 0.00 55.36 51.71 3hx7 s GLN 80 Cb -0.12 -1.97 -0.05 0.00 -0.22 0.00 0.00 33.01 30.65 3hx7 s GLN 80 CO 0.02 0.27 0.95 -0.25 -0.25 0.00 0.00 175.29 176.03 3hx7 n ASP 81 N -0.84 0.71 -4.62 5.90 10.43 -1.26 -4.96 116.55 121.90 3hx7 n ASP 81 Ca -0.05 0.81 -0.35 0.00 2.57 0.00 0.00 54.79 57.76 3hx7 n ASP 81 Cb 0.60 -1.38 -0.10 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 -1.52 4.91 0.07 0.53 1.01 -1.26 -5.07 121.20 119.87 3hx7 s ILE 82 Ca 0.75 0.01 -0.30 0.00 0.00 0.00 0.00 60.65 61.12 3hx7 s ILE 82 Cb -0.42 -3.24 -0.05 0.00 0.01 0.00 0.00 42.46 38.76 3hx7 s ILE 82 CO 0.47 0.42 1.08 -0.75 0.00 0.00 0.00 174.94 176.16 3hx7 s LYS 83 N 0.69 4.53 0.85 2.79 2.20 -1.26 -5.01 119.74 124.54 3hx7 s LYS 83 Ca 0.05 1.61 -0.14 0.00 -0.36 0.00 0.00 55.97 57.13 3hx7 s LYS 83 Cb -0.13 -3.37 0.02 0.00 -1.51 0.00 0.00 37.83 32.84 3hx7 s LYS 83 CO 0.02 -0.08 0.60 0.36 -0.36 0.00 0.00 175.35 175.89 3hx7 n LYS 84 N 3.50 -0.02 -1.75 4.03 2.85 -1.26 -4.91 118.16 120.60 3hx7 n LYS 84 Ca 0.06 0.05 -0.37 0.00 -1.05 0.00 0.00 58.31 56.99 3hx7 n LYS 84 Cb 0.48 -1.96 0.06 0.00 -0.65 0.00 0.00 35.03 32.96 3hx7 n LYS 84 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 177.40 175.21 3hx7 s PRO 85 N -3.47 2.70 0.66 -1.58 0.02 -1.26 -4.90 135.00 127.18 3hx7 s PRO 85 Ca 0.63 2.12 0.40 0.00 0.02 0.00 0.00 61.00 64.17 3hx7 s PRO 85 Cb -0.27 -1.96 2.19 0.00 0.02 0.00 0.00 34.50 34.48 3hx7 s PRO 85 CO 0.61 -1.50 2.25 0.00 -0.33 0.00 0.00 177.00 178.04 3hx7 h ALA 86 N 0.79 1.15 -2.31 -1.55 0.00 -1.97 -3.43 119.26 111.94 3hx7 h ALA 86 Ca -0.51 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.20 3hx7 h ALA 86 Cb 1.33 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.97 3hx7 h ALA 86 CO 0.54 -0.09 -0.67 -1.21 0.00 0.00 0.00 179.25 177.82 3hx7 s GLU 87 N -4.19 0.86 -0.23 0.00 0.41 -1.26 -5.04 118.70 109.25 3hx7 s GLU 87 Ca -0.05 -1.38 0.06 0.00 -0.41 0.00 0.00 54.97 53.19 3hx7 s GLU 87 Cb 0.12 0.05 -0.18 0.00 -1.78 0.00 0.00 34.13 32.34 3hx7 s GLU 87 CO 0.39 -0.15 -0.14 -0.25 -0.49 0.00 0.00 175.26 174.62 3hx7 n ASP 88 N -0.06 1.65 -4.26 -0.19 9.92 -1.26 -4.95 116.55 117.40 3hx7 n ASP 88 Ca -0.09 -0.10 -0.26 0.00 -0.53 0.00 0.00 54.79 53.81 3hx7 n ASP 88 Cb 0.62 -0.03 -0.14 0.00 -0.64 0.00 0.00 41.12 40.93 3hx7 n ASP 88 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 3hx7 s GLU 89 N -2.48 1.46 -0.14 -1.24 2.02 -1.26 -5.02 118.70 112.05 3hx7 s GLU 89 Ca -0.27 -0.93 0.15 0.00 0.02 0.00 0.00 54.97 53.95 3hx7 s GLU 89 Cb 0.08 -1.56 0.46 0.00 0.10 0.00 0.00 34.13 33.20 3hx7 s GLU 89 CO 0.62 0.40 1.36 0.91 0.02 0.00 0.00 175.26 178.57 3hx7 n TRP 90 N 1.93 0.76 -4.92 1.61 7.02 -1.26 -5.09 117.44 117.49 3hx7 n TRP 90 Ca -0.17 -0.81 0.00 0.00 -1.02 0.00 0.00 57.50 55.50 3hx7 n TRP 90 Cb 0.53 -0.24 0.00 0.00 -2.42 0.00 0.00 31.31 29.18 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 -0.39 2.29 3.94 6.99 0.00 -1.26 -3.58 105.19 113.18 3hx7 n GLY 91 Ca 0.19 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 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 1.70 0.22 1.61 1.02 -1.26 -4.87 119.74 118.16 3hx7 s LYS 92 Ca 0.00 -0.45 -0.09 0.00 0.02 0.00 0.00 55.97 55.44 3hx7 s LYS 92 Cb 0.00 -2.12 0.18 0.00 -0.52 0.00 0.00 37.83 35.37 3hx7 s LYS 92 CO 0.00 -1.58 1.87 1.15 -0.92 0.00 0.00 175.35 175.87 3hx7 h THR 93 N -0.85 1.22 -0.22 2.17 2.02 -1.99 -2.07 112.91 113.18 3hx7 h THR 93 Ca -0.43 -0.46 -0.05 0.00 0.77 0.00 0.00 66.41 66.24 3hx7 h THR 93 Cb 1.29 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 3hx7 h THR 93 CO 0.51 0.23 -0.10 -0.65 0.37 0.00 0.00 175.52 175.87 3hx7 h PRO 94 N 1.11 0.35 0.40 6.66 0.11 -1.95 0.39 132.00 139.08 3hx7 h PRO 94 Ca 0.29 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 66.30 3hx7 h PRO 94 Cb -0.07 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 30.99 3hx7 h PRO 94 CO -0.06 0.47 -0.19 -0.44 -0.21 0.00 0.00 178.00 177.57 3hx7 h ASP 95 N 0.34 -0.46 -0.86 -2.05 3.45 -1.79 -1.58 116.42 113.47 3hx7 h ASP 95 Ca 0.07 -0.12 0.08 0.00 0.43 0.00 0.00 57.03 57.49 3hx7 h ASP 95 Cb 0.39 0.12 -0.06 0.00 -0.56 0.00 0.00 39.33 39.22 3hx7 h ASP 95 CO 0.02 -0.08 0.56 0.00 -1.57 0.00 0.00 179.24 178.17 3hx7 h ALA 96 N -0.51 1.62 -0.45 3.45 0.00 -1.26 -0.46 119.26 121.65 3hx7 h ALA 96 Ca -0.06 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 3hx7 h ALA 96 Cb 0.55 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3hx7 h ALA 96 CO 0.09 0.22 -0.17 1.98 0.00 0.00 0.00 179.25 181.37 3hx7 h MET 97 N 0.89 0.87 -0.06 0.00 -1.53 -0.87 -0.93 114.93 113.30 3hx7 h MET 97 Ca 0.39 -0.34 -0.01 0.00 -3.44 0.00 0.00 59.70 56.31 3hx7 h MET 97 Cb 0.33 -0.05 -0.00 0.00 -0.55 0.00 0.00 31.60 31.33 3hx7 h MET 97 CO -0.15 0.98 0.01 0.87 0.14 0.00 0.00 176.91 178.75 3hx7 h LYS 98 N 0.77 0.10 -0.92 0.39 1.57 -0.18 -0.72 116.57 117.57 3hx7 h LYS 98 Ca 0.11 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.92 3hx7 h LYS 98 Cb 0.70 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.94 3hx7 h LYS 98 CO 0.05 0.32 0.60 0.00 -0.57 0.00 0.00 179.45 179.85 3hx7 h ALA 99 N 0.77 1.47 -0.41 3.86 0.00 -1.07 -1.45 119.26 122.42 3hx7 h ALA 99 Ca 0.02 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3hx7 h ALA 99 Cb 0.27 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3hx7 h ALA 99 CO 0.00 0.41 -0.21 0.00 0.00 0.00 0.00 179.25 179.45 3hx7 h ALA 100 N 1.49 0.85 -0.40 0.00 0.00 -0.86 -2.33 119.26 118.01 3hx7 h ALA 100 Ca 0.39 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 3hx7 h ALA 100 Cb 0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3hx7 h ALA 100 CO -0.14 0.64 -0.33 1.98 0.00 0.00 0.00 179.25 181.40 3hx7 h MET 101 N 0.72 0.92 -0.08 0.00 -1.53 -0.39 -2.22 114.93 112.34 3hx7 h MET 101 Ca 0.10 -0.46 0.01 0.00 -3.44 0.00 0.00 59.70 55.91 3hx7 h MET 101 Cb 0.73 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.78 3hx7 h MET 101 CO 0.06 1.12 0.01 0.00 0.14 0.00 0.00 176.91 178.24 3hx7 h ALA 102 N 0.79 0.07 -0.84 0.39 0.00 -1.25 -0.03 119.26 118.38 3hx7 h ALA 102 Ca 0.07 0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.17 3hx7 h ALA 102 Cb 0.92 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 3hx7 h ALA 102 CO 0.09 -0.46 0.56 1.25 0.00 0.00 0.00 179.25 180.68 3hx7 h LEU 103 N 0.04 0.47 -0.07 0.00 5.85 -1.33 0.15 115.31 120.43 3hx7 h LEU 103 Ca 0.04 0.03 -0.20 0.00 0.84 0.00 0.00 57.88 58.59 3hx7 h LEU 103 Cb 0.04 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.02 3hx7 h LEU 103 CO -0.06 0.23 -0.73 -0.33 -0.34 0.00 0.00 178.44 177.21 3hx7 h GLU 104 N 0.49 0.61 -0.63 1.25 4.39 -0.63 -2.34 114.58 117.73 3hx7 h GLU 104 Ca 0.43 -0.57 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 3hx7 h GLU 104 Cb 0.92 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.68 3hx7 h GLU 104 CO -0.17 1.18 0.33 0.87 -1.16 0.00 0.00 179.01 180.07 3hx7 h LYS 105 N 0.24 0.87 0.04 2.33 1.57 0.35 0.42 116.57 122.39 3hx7 h LYS 105 Ca -0.07 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.61 3hx7 h LYS 105 Cb 1.38 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3hx7 h LYS 105 CO 0.15 0.65 -0.02 -0.22 -0.57 0.00 0.00 179.45 179.44 3hx7 h LYS 106 N 0.88 -0.05 -0.26 3.15 3.64 -0.72 -0.01 116.57 123.20 3hx7 h LYS 106 Ca 0.22 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.56 3hx7 h LYS 106 Cb 0.04 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3hx7 h LYS 106 CO -0.03 0.06 -0.06 -0.07 -2.27 0.00 0.00 179.45 177.08 3hx7 h LEU 107 N -0.16 0.38 -0.08 5.20 3.38 -0.80 -1.17 115.31 122.06 3hx7 h LEU 107 Ca -0.01 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3hx7 h LEU 107 Cb 0.14 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3hx7 h LEU 107 CO 0.01 0.49 0.03 -1.13 0.09 0.00 0.00 178.44 177.92 3hx7 h ASN 108 N 0.38 0.12 -0.23 -0.43 -1.24 0.29 -1.60 115.58 112.87 3hx7 h ASN 108 Ca 0.08 -0.20 -0.00 0.00 0.71 0.00 0.00 56.30 56.89 3hx7 h ASN 108 Cb 0.35 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.36 3hx7 h ASN 108 CO 0.02 0.28 0.14 -0.61 -1.29 0.00 0.00 177.43 175.97 3hx7 h GLN 109 N -0.06 0.31 -0.81 6.67 5.75 -0.59 0.11 115.11 126.49 3hx7 h GLN 109 Ca 0.03 -0.03 0.14 0.00 -0.15 0.00 0.00 58.65 58.64 3hx7 h GLN 109 Cb 0.21 -0.07 -0.09 0.00 1.07 0.00 0.00 27.48 28.60 3hx7 h GLN 109 CO -0.00 0.24 0.40 0.00 -2.65 0.00 0.00 178.83 176.82 3hx7 h ALA 110 N 1.05 1.20 -0.41 3.38 0.00 -1.15 0.36 119.26 123.69 3hx7 h ALA 110 Ca 0.08 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3hx7 h ALA 110 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3hx7 h ALA 110 CO -0.02 -0.11 0.12 -0.07 0.00 0.00 0.00 179.25 179.17 3hx7 h LEU 111 N 0.58 0.61 -1.34 0.00 3.38 -0.40 -0.72 115.31 117.42 3hx7 h LEU 111 Ca 0.44 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 3hx7 h LEU 111 Cb 0.62 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3hx7 h LEU 111 CO -0.36 0.66 0.14 -0.07 0.09 0.00 0.00 178.44 178.90 3hx7 h LEU 112 N 0.53 0.54 0.42 1.67 3.38 0.12 -1.10 115.31 120.86 3hx7 h LEU 112 Ca 0.13 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3hx7 h LEU 112 Cb 0.28 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3hx7 h LEU 112 CO -0.00 0.51 -0.20 0.44 0.09 0.00 0.00 178.44 179.28 3hx7 h ASP 113 N 0.59 -0.48 -0.77 -0.43 3.45 0.06 -1.87 116.42 116.97 3hx7 h ASP 113 Ca 0.14 -0.10 0.21 0.00 0.43 0.00 0.00 57.03 57.72 3hx7 h ASP 113 Cb 0.16 0.12 -0.04 0.00 -0.56 0.00 0.00 39.33 39.01 3hx7 h ASP 113 CO -0.01 -0.06 0.55 0.25 -1.57 0.00 0.00 179.24 178.40 3hx7 h LEU 114 N -1.00 0.06 -0.31 1.55 5.85 -1.03 0.39 115.31 120.82 3hx7 h LEU 114 Ca -0.06 0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.52 3hx7 h LEU 114 Cb 0.55 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 3hx7 h LEU 114 CO 0.09 0.03 -0.39 -0.74 -0.34 0.00 0.00 178.44 177.09 3hx7 h HIS 115 N 0.06 0.98 -0.16 1.25 2.76 -1.06 -1.33 115.15 117.65 3hx7 h HIS 115 Ca 0.37 -0.31 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 3hx7 h HIS 115 Cb 1.39 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 30.15 3hx7 h HIS 115 CO -0.00 1.11 0.05 0.00 -1.30 0.00 0.00 177.93 177.78 3hx7 h ALA 116 N 0.70 0.21 -0.79 5.26 0.00 0.47 -0.93 119.26 124.18 3hx7 h ALA 116 Ca 0.04 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 54.91 3hx7 h ALA 116 Cb 0.98 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.64 3hx7 h ALA 116 CO 0.09 -0.17 0.44 1.25 0.00 0.00 0.00 179.25 180.87 3hx7 h LEU 117 N 0.07 0.63 -1.01 0.00 5.85 -0.70 0.21 115.31 120.36 3hx7 h LEU 117 Ca 0.05 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.73 3hx7 h LEU 117 Cb 0.24 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3hx7 h LEU 117 CO -0.00 0.36 -0.25 1.23 -0.34 0.00 0.00 178.44 179.44 3hx7 h GLY 118 N 0.75 0.45 1.25 3.75 0.00 -0.91 -1.27 103.07 107.09 3hx7 h GLY 118 Ca 0.38 -0.36 -0.16 0.00 0.00 0.00 0.00 47.33 47.19 3hx7 h GLY 118 CO -0.24 0.33 -0.44 1.76 0.00 0.00 0.00 176.54 177.95 3hx7 h SER 119 N 0.37 0.87 -0.25 0.19 0.02 -0.07 0.22 113.55 114.90 3hx7 h SER 119 Ca 0.06 -0.42 -0.01 0.00 -0.84 0.00 0.00 61.79 60.58 3hx7 h SER 119 Cb 0.64 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 3hx7 h SER 119 CO 0.05 1.18 0.12 0.00 -1.14 0.00 0.00 176.83 177.05 3hx7 h ALA 120 N 0.85 0.32 -0.10 3.77 0.00 -0.74 -2.24 119.26 121.12 3hx7 h ALA 120 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hx7 h ALA 120 Cb 1.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3hx7 h ALA 120 CO 0.10 -0.13 0.00 0.54 0.00 0.00 0.00 179.25 179.75 3hx7 n ARG 121 N -4.84 1.25 -3.94 0.00 5.12 -0.50 -4.91 116.66 108.85 3hx7 n ARG 121 Ca -0.03 -0.36 -0.38 0.00 -1.93 0.00 0.00 57.85 55.16 3hx7 n ARG 121 Cb 0.09 -1.12 0.02 0.00 -1.16 0.00 0.00 32.46 30.28 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 -0.19 -3.82 -3.69 0.55 -2.24 -0.84 -4.94 114.28 99.11 3hx7 n THR 122 Ca 0.03 -0.72 -0.35 0.00 -2.27 0.00 0.00 64.05 60.74 3hx7 n THR 122 Cb 0.11 -3.01 -0.08 0.00 -2.10 0.00 0.00 70.33 65.25 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 -3.67 5.58 0.49 3.42 2.15 0.71 -4.94 116.67 120.41 3hx7 s ASP 123 Ca 0.40 -3.41 0.15 0.00 0.43 0.00 0.00 52.55 50.12 3hx7 s ASP 123 Cb -0.18 -1.86 1.15 0.00 -0.30 0.00 0.00 42.92 41.73 3hx7 s ASP 123 CO 0.92 -0.24 2.08 1.55 -0.17 0.00 0.00 175.17 179.31 3hx7 h PRO 124 N 6.34 0.02 0.51 4.34 0.13 -1.92 -2.30 132.00 139.11 3hx7 h PRO 124 Ca 0.09 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.19 3hx7 h PRO 124 Cb 0.86 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 3hx7 h PRO 124 CO 0.78 0.08 -0.24 1.25 -0.23 0.00 0.00 178.00 179.64 3hx7 h HIS 125 N 0.02 -0.63 -0.42 1.56 -0.00 -1.96 -0.04 115.15 113.67 3hx7 h HIS 125 Ca 0.00 -0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.44 3hx7 h HIS 125 Cb 0.13 0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 27.73 3hx7 h HIS 125 CO 0.00 -0.31 0.29 1.25 -0.00 0.00 0.00 177.93 179.16 3hx7 h LEU 126 N -0.92 0.20 -0.16 0.26 5.85 -1.92 0.39 115.31 119.01 3hx7 h LEU 126 Ca -0.07 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 3hx7 h LEU 126 Cb 0.61 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.59 3hx7 h LEU 126 CO 0.11 0.13 -0.05 0.00 -0.34 0.00 0.00 178.44 178.29 3hx7 h ASP 128 N 0.02 -0.26 -1.13 0.00 3.58 -0.14 -1.87 116.42 116.62 3hx7 h ASP 128 Ca 0.04 -0.06 0.31 0.00 0.42 0.00 0.00 57.03 57.75 3hx7 h ASP 128 Cb 0.50 0.07 -0.09 0.00 1.72 0.00 0.00 39.33 41.53 3hx7 h ASP 128 CO 0.02 -0.11 0.74 0.15 -2.88 0.00 0.00 179.24 177.16 3hx7 h PHE 129 N -0.40 0.52 0.00 0.28 3.04 -0.95 0.22 116.94 119.66 3hx7 h PHE 129 Ca -0.03 0.02 -0.21 0.00 3.98 0.00 0.00 57.97 61.73 3hx7 h PHE 129 Cb 0.30 -0.15 -0.03 0.00 2.56 0.00 0.00 35.95 38.63 3hx7 h PHE 129 CO -0.04 -0.00 -1.21 -0.07 -2.02 0.00 0.00 178.31 174.97 3hx7 h LEU 130 N 0.27 0.00 -0.25 0.59 3.38 -1.13 -2.90 115.31 115.27 3hx7 h LEU 130 Ca 0.64 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.46 3hx7 h LEU 130 Cb 1.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.61 3hx7 h LEU 130 CO -0.28 0.84 -0.44 -0.33 0.09 0.00 0.00 178.44 178.32 3hx7 h GLU 131 N 0.00 0.74 -0.03 1.13 5.08 0.05 0.18 114.58 121.73 3hx7 h GLU 131 Ca -0.12 -0.46 -0.16 0.00 -1.00 0.00 0.00 59.36 57.62 3hx7 h GLU 131 Cb 1.75 0.05 0.01 0.00 0.50 0.00 0.00 28.75 31.06 3hx7 h GLU 131 CO 0.09 1.09 -0.61 1.15 -1.00 0.00 0.00 179.01 179.73 3hx7 h THR 132 N 0.47 1.40 -0.00 1.13 2.02 -0.81 -3.37 112.91 113.74 3hx7 h THR 132 Ca 0.01 -2.03 0.00 0.00 0.77 0.00 0.00 66.41 65.17 3hx7 h THR 132 Cb 1.04 2.48 0.00 0.00 -1.74 0.00 0.00 68.15 69.94 3hx7 h THR 132 CO 0.10 0.60 -0.47 1.41 0.37 0.00 0.00 175.52 177.53 3hx7 n HIS 133 N -4.20 0.00 0.00 3.16 8.25 -1.09 -4.86 115.22 116.47 3hx7 n HIS 133 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 3hx7 n HIS 133 Cb 0.67 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.78 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 -0.94 0.00 0.18 4.41 3.72 -0.91 -4.73 117.46 119.19 3hx7 n PHE 134 Ca 0.03 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.29 3hx7 n PHE 134 Cb 0.21 0.09 -0.08 0.00 -0.94 0.00 0.00 39.48 38.76 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 -1.17 -1.36 4.37 3.38 -0.83 -2.31 115.31 117.39 3hx7 h LEU 135 Ca 0.00 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 3hx7 h LEU 135 Cb 0.62 0.41 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 3hx7 h LEU 135 CO 0.00 -0.50 -0.05 -0.78 0.09 0.00 0.00 178.44 177.20 3hx7 h ASP 136 N -0.73 0.34 -0.86 -0.43 -0.00 -1.84 -2.04 116.42 110.86 3hx7 h ASP 136 Ca -0.03 -0.06 -0.01 0.00 -0.00 0.00 0.00 57.03 56.93 3hx7 h ASP 136 Cb 0.66 -0.09 -0.04 0.00 -0.00 0.00 0.00 39.33 39.86 3hx7 h ASP 136 CO -0.12 0.44 0.52 -0.33 -0.00 0.00 0.00 179.24 179.75 3hx7 h GLU 137 N 0.35 1.17 -0.34 0.28 4.39 -1.82 -1.77 114.58 116.84 3hx7 h GLU 137 Ca 0.08 -0.11 -0.13 0.00 0.34 0.00 0.00 59.36 59.54 3hx7 h GLU 137 Cb 0.32 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3hx7 h GLU 137 CO 0.01 0.82 -0.29 0.93 -1.16 0.00 0.00 179.01 179.32 3hx7 h GLU 138 N 1.19 0.80 -0.06 2.33 4.39 -0.80 -1.45 114.58 120.99 3hx7 h GLU 138 Ca 0.31 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.61 3hx7 h GLU 138 Cb -0.05 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.60 3hx7 h GLU 138 CO -0.06 1.04 0.04 0.28 -1.16 0.00 0.00 179.01 179.14 3hx7 h VAL 139 N 0.58 1.01 -0.60 3.13 2.07 -1.21 -0.76 116.25 120.48 3hx7 h VAL 139 Ca 0.06 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.57 3hx7 h VAL 139 Cb 0.86 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 3hx7 h VAL 139 CO 0.07 0.01 0.39 0.11 0.02 0.00 0.00 177.57 178.17 3hx7 h LYS 140 N 0.07 0.75 -0.25 1.57 1.57 -1.29 -0.50 116.57 118.50 3hx7 h LYS 140 Ca 0.02 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 3hx7 h LYS 140 Cb -0.01 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 3hx7 h LYS 140 CO -0.01 0.50 -0.15 1.25 -0.57 0.00 0.00 179.45 180.47 3hx7 h LEU 141 N 0.78 0.42 -0.08 2.94 5.85 -1.08 -0.35 115.31 123.79 3hx7 h LEU 141 Ca 0.23 -0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.73 3hx7 h LEU 141 Cb -0.05 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 40.87 3hx7 h LEU 141 CO -0.07 0.60 -0.38 0.40 -0.34 0.00 0.00 178.44 178.65 3hx7 h ILE 142 N 0.40 1.41 -0.90 4.05 2.04 -0.56 -1.05 117.51 122.89 3hx7 h ILE 142 Ca 0.07 -1.77 0.06 0.00 1.00 0.00 0.00 64.86 64.22 3hx7 h ILE 142 Cb 0.51 2.31 -0.06 0.00 -0.74 0.00 0.00 36.82 38.83 3hx7 h ILE 142 CO 0.03 0.52 0.58 0.50 0.00 0.00 0.00 178.15 179.78 3hx7 h LYS 143 N -0.08 0.99 0.26 2.37 1.63 -0.96 0.50 116.57 121.29 3hx7 h LYS 143 Ca -0.03 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.70 3hx7 h LYS 143 Cb 1.03 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 32.44 3hx7 h LYS 143 CO 0.08 0.66 -0.13 -0.22 -3.45 0.00 0.00 179.45 176.39 3hx7 h LYS 144 N 1.02 -0.34 -0.47 1.90 3.64 -0.95 -1.58 116.57 119.79 3hx7 h LYS 144 Ca 0.38 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.77 3hx7 h LYS 144 Cb 0.19 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 3hx7 h LYS 144 CO -0.14 -0.13 0.20 0.52 -2.27 0.00 0.00 179.45 177.63 3hx7 h MET 145 N -0.50 0.66 -0.08 1.90 2.86 -0.18 -1.57 114.93 118.03 3hx7 h MET 145 Ca -0.04 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.52 3hx7 h MET 145 Cb 0.37 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.90 3hx7 h MET 145 CO 0.06 0.54 0.03 0.78 1.06 0.00 0.00 176.91 179.38 3hx7 h GLY 146 N 0.80 0.12 0.39 8.32 0.00 0.13 -1.71 103.07 111.12 3hx7 h GLY 146 Ca 0.16 -0.07 0.09 0.00 0.00 0.00 0.00 47.33 47.52 3hx7 h GLY 146 CO -0.02 0.06 0.20 -0.55 0.00 0.00 0.00 176.54 176.23 3hx7 h ASP 147 N -0.02 0.18 -0.56 0.19 5.19 -0.79 -0.26 116.42 120.35 3hx7 h ASP 147 Ca 0.03 0.08 0.02 0.00 -0.62 0.00 0.00 57.03 56.54 3hx7 h ASP 147 Cb 0.15 0.07 -0.03 0.00 0.18 0.00 0.00 39.33 39.69 3hx7 h ASP 147 CO -0.00 0.11 0.35 0.45 -3.12 0.00 0.00 179.24 177.03 3hx7 h HIS 148 N 0.37 0.66 -0.45 4.55 3.86 -0.98 -0.71 115.15 122.45 3hx7 h HIS 148 Ca 0.29 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.52 3hx7 h HIS 148 Cb 0.37 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 3hx7 h HIS 148 CO -0.18 0.39 0.26 -0.07 0.86 0.00 0.00 177.93 179.19 3hx7 h LEU 149 N 0.71 0.55 -0.57 2.43 3.38 -0.38 0.32 115.31 121.75 3hx7 h LEU 149 Ca 0.22 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.16 3hx7 h LEU 149 Cb -0.02 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 3hx7 h LEU 149 CO -0.08 0.46 0.32 0.74 0.09 0.00 0.00 178.44 179.97 3hx7 h THR 150 N 0.59 0.99 -0.30 0.22 2.02 -0.60 -1.06 112.91 114.78 3hx7 h THR 150 Ca 0.16 -0.21 -0.15 0.00 0.77 0.00 0.00 66.41 66.98 3hx7 h THR 150 Cb 0.02 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 66.76 3hx7 h THR 150 CO -0.03 0.11 -0.38 0.78 0.37 0.00 0.00 175.52 176.37 3hx7 h ASN 151 N 0.61 0.86 -0.77 4.18 2.35 -0.59 -2.28 115.58 119.94 3hx7 h ASN 151 Ca 0.25 -0.49 -0.01 0.00 -0.55 0.00 0.00 56.30 55.49 3hx7 h ASN 151 Cb 0.11 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.20 3hx7 h ASN 151 CO -0.15 1.19 0.44 -0.07 -1.65 0.00 0.00 177.43 177.19 3hx7 h LEU 152 N 0.56 0.96 -0.41 1.61 3.38 -0.11 -2.39 115.31 118.91 3hx7 h LEU 152 Ca 0.04 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 3hx7 h LEU 152 Cb 0.98 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 3hx7 h LEU 152 CO 0.09 0.76 0.03 -0.74 0.09 0.00 0.00 178.44 178.67 3hx7 h HIS 153 N 1.09 0.77 -0.09 1.13 2.76 -1.15 -2.84 115.15 116.81 3hx7 h HIS 153 Ca 0.28 -0.12 0.03 0.00 -2.20 0.00 0.00 60.37 58.35 3hx7 h HIS 153 Cb 0.01 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 28.76 3hx7 h HIS 153 CO 0.01 0.77 0.09 -0.09 -1.30 0.00 0.00 177.93 177.40 3hx7 h ARG 154 N 0.55 0.00 -1.08 5.26 2.43 -0.91 -2.96 114.38 117.67 3hx7 h ARG 154 Ca 0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3hx7 h ARG 154 Cb 0.44 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3hx7 h ARG 154 CO 0.02 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.76 3hx7 n LEU 155 N -4.02 1.72 -0.01 3.80 4.77 -1.03 -3.80 117.00 118.44 3hx7 n LEU 155 Ca -0.01 -0.86 -0.01 0.00 -0.03 0.00 0.00 56.01 55.11 3hx7 n LEU 155 Cb 0.19 -0.37 -0.00 0.00 -2.33 0.00 0.00 43.42 40.91 3hx7 n LEU 155 CO 0.29 0.31 -0.04 0.61 -1.33 0.00 0.00 177.39 177.23 3hx7 n GLY 156 N 0.45 -0.51 0.00 -0.72 0.00 -1.12 -4.95 105.19 98.34 3hx7 n GLY 156 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 1.57 0.62 0.50 -0.02 0.00 -1.26 -4.95 105.19 101.65 3hx7 n GLY 157 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.17 -0.38 1.61 0.13 -1.98 -3.29 132.00 126.92 3hx7 h PRO 158 Ca 0.00 0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3hx7 h PRO 158 Cb 0.00 0.27 0.00 0.00 0.13 0.00 0.00 31.00 31.40 3hx7 h PRO 158 CO 0.00 -0.78 0.00 0.39 -0.23 0.00 0.00 178.00 177.38 3hx7 n GLU 159 N -5.62 0.11 0.00 0.86 4.71 -1.26 -4.32 120.64 115.12 3hx7 n GLU 159 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.00 3hx7 n GLU 159 Cb 0.49 -1.12 0.00 0.00 -1.01 0.00 0.00 31.44 29.81 3hx7 n GLU 159 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3hx7 n ALA 160 N 0.52 1.14 -2.75 0.62 0.00 -1.24 -4.34 120.51 114.45 3hx7 n ALA 160 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 3hx7 n ALA 160 Cb 0.03 -0.86 -0.11 0.00 0.00 0.00 0.00 19.45 18.51 3hx7 n ALA 160 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hx7 s GLY 161 N -1.42 1.93 0.00 0.00 0.00 -1.26 -4.98 107.32 101.59 3hx7 s GLY 161 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 44.72 43.12 3hx7 s GLY 161 CO 0.00 0.81 0.00 1.04 0.00 0.00 0.00 173.10 174.95 3hx7 n LEU 162 N 5.03 0.00 -4.54 0.66 4.77 -1.26 -4.75 117.00 116.91 3hx7 n LEU 162 Ca -0.12 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.44 3hx7 n LEU 162 Cb 0.47 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.54 3hx7 n LEU 162 CO 0.36 0.00 1.48 -0.83 -1.33 0.00 0.00 177.39 177.07 3hx7 s GLY 163 N 0.00 1.45 0.07 -0.72 0.00 -1.26 -4.91 107.32 101.95 3hx7 s GLY 163 Ca 0.00 -2.47 -0.35 0.00 0.00 0.00 0.00 44.72 41.90 3hx7 s GLY 163 CO 0.00 2.57 1.60 0.83 0.00 0.00 0.00 173.10 178.10 3hx7 h GLU 164 N 9.25 -1.04 -0.02 2.90 5.08 -2.04 -3.57 114.58 125.14 3hx7 h GLU 164 Ca 0.23 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 3hx7 h GLU 164 Cb 0.99 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3hx7 h GLU 164 CO 1.38 -0.69 0.00 0.66 -1.00 0.00 0.00 179.01 179.36