#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 6.94 0.83 6.12 0.15 -1.26 -5.07 113.70 121.42 3hx7 s SER 2 Ca 0.00 1.25 -0.12 0.00 0.70 0.00 0.00 55.95 57.78 3hx7 s SER 2 Cb 0.00 -2.35 0.10 0.00 -1.71 0.00 0.00 66.02 62.05 3hx7 s SER 2 CO 0.00 0.07 1.18 -0.55 1.20 0.00 0.00 173.24 175.14 3hx7 s SER 3 N -1.67 3.51 0.47 5.45 0.15 -1.26 -4.93 113.70 115.41 3hx7 s SER 3 Ca 0.40 2.26 0.29 0.00 0.70 0.00 0.00 55.95 59.60 3hx7 s SER 3 Cb -0.16 -2.58 0.97 0.00 -1.71 0.00 0.00 66.02 62.54 3hx7 s SER 3 CO 0.20 -2.72 1.83 0.06 1.20 0.00 0.00 173.24 173.81 3hx7 h GLN 4 N -1.17 0.00 0.00 5.44 3.07 -1.97 -3.21 115.11 117.26 3hx7 h GLN 4 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.29 3hx7 h GLN 4 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.84 3hx7 h GLN 4 CO 0.45 0.00 -1.69 0.44 0.09 0.00 0.00 178.83 178.13 3hx7 n ILE 5 N -2.97 0.09 -1.67 1.86 -5.35 -1.26 -4.98 119.36 105.08 3hx7 n ILE 5 Ca 0.02 -0.43 -0.46 0.00 -0.27 0.00 0.00 62.75 61.61 3hx7 n ILE 5 Cb 0.38 0.08 -0.04 0.00 -1.74 0.00 0.00 39.64 38.32 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 -2.21 2.09 -3.62 6.28 0.63 -1.22 -4.84 116.66 113.78 3hx7 n ARG 6 Ca -0.02 0.75 -0.01 0.00 -0.92 0.00 0.00 57.85 57.65 3hx7 n ARG 6 Cb 0.53 -2.48 -0.04 0.00 0.45 0.00 0.00 32.46 30.92 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 0.48 0.55 -1.66 -0.14 0.74 -1.26 -4.93 119.66 113.44 3hx7 s GLN 7 Ca 0.76 1.36 -0.01 0.00 0.05 0.00 0.00 55.36 57.51 3hx7 s GLN 7 Cb -0.68 0.80 0.00 0.00 1.10 0.00 0.00 33.01 34.24 3hx7 s GLN 7 CO 0.42 -0.19 0.13 -1.71 -0.55 0.00 0.00 175.29 173.39 3hx7 n ASN 8 N 5.35 -5.75 -4.09 6.67 5.15 -1.26 -4.97 115.26 116.36 3hx7 n ASN 8 Ca -0.12 -0.07 -0.35 0.00 -0.60 0.00 0.00 54.58 53.44 3hx7 n ASN 8 Cb 0.50 -4.73 -0.12 0.00 -0.53 0.00 0.00 39.78 34.89 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 -3.03 3.55 0.56 1.20 5.04 -1.26 -4.80 117.35 118.61 3hx7 s TYR 9 Ca 0.06 -2.60 -0.20 0.00 -2.44 0.00 0.00 57.07 51.89 3hx7 s TYR 9 Cb -0.03 -3.16 -0.04 0.00 0.35 0.00 0.00 41.96 39.08 3hx7 s TYR 9 CO 0.08 -0.93 1.25 -1.54 -1.34 0.00 0.00 175.55 173.07 3hx7 s SER 10 N 1.35 5.33 0.55 4.32 1.04 -1.26 -4.91 113.70 120.12 3hx7 s SER 10 Ca 0.11 2.51 0.33 0.00 0.48 0.00 0.00 55.95 59.38 3hx7 s SER 10 Cb -0.22 -2.61 1.48 0.00 0.10 0.00 0.00 66.02 64.77 3hx7 s SER 10 CO -0.04 -1.51 2.04 0.71 0.98 0.00 0.00 173.24 175.41 3hx7 h THR 11 N 1.19 0.16 -0.02 2.02 1.35 -1.99 -2.35 112.91 113.27 3hx7 h THR 11 Ca -0.50 -0.53 -0.25 0.00 -0.55 0.00 0.00 66.41 64.58 3hx7 h THR 11 Cb 1.29 1.45 0.02 0.00 -1.73 0.00 0.00 68.15 69.18 3hx7 h THR 11 CO 0.56 0.05 -0.99 0.44 -0.25 0.00 0.00 175.52 175.34 3hx7 h ASP 12 N 0.00 0.83 0.09 5.36 3.45 -1.99 -2.71 116.42 121.45 3hx7 h ASP 12 Ca -0.00 -0.65 -0.00 0.00 0.43 0.00 0.00 57.03 56.81 3hx7 h ASP 12 Cb 0.44 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 38.96 3hx7 h ASP 12 CO 0.01 1.45 -0.04 0.58 -1.57 0.00 0.00 179.24 179.66 3hx7 h VAL 13 N 0.38 1.05 -0.35 -1.35 2.07 -1.82 -2.00 116.25 114.24 3hx7 h VAL 13 Ca -0.11 -0.51 0.08 0.00 0.82 0.00 0.00 66.70 66.98 3hx7 h VAL 13 Cb 1.63 1.38 -0.08 0.00 -1.52 0.00 0.00 31.29 32.70 3hx7 h VAL 13 CO 0.19 0.13 -0.23 -0.08 0.02 0.00 0.00 177.57 177.59 3hx7 h GLU 14 N -0.35 -0.18 -0.43 1.57 4.81 -1.49 0.54 114.58 119.05 3hx7 h GLU 14 Ca -0.01 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3hx7 h GLU 14 Cb 0.30 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 3hx7 h GLU 14 CO 0.02 -0.12 0.22 0.00 -0.73 0.00 0.00 179.01 178.40 3hx7 h ALA 15 N 0.97 1.58 -0.40 2.92 0.00 -1.46 -1.71 119.26 121.17 3hx7 h ALA 15 Ca 0.17 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 3hx7 h ALA 15 Cb 0.46 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3hx7 h ALA 15 CO -0.46 0.34 -0.35 0.00 0.00 0.00 0.00 179.25 178.79 3hx7 h ALA 16 N 1.65 0.62 0.00 0.00 0.00 -0.34 -2.05 119.26 119.14 3hx7 h ALA 16 Ca 0.15 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3hx7 h ALA 16 Cb 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3hx7 h ALA 16 CO -0.02 0.68 -0.00 0.28 0.00 0.00 0.00 179.25 180.18 3hx7 h VAL 17 N 0.77 1.05 -0.47 0.00 2.07 -0.30 0.19 116.25 119.56 3hx7 h VAL 17 Ca 0.07 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.46 3hx7 h VAL 17 Cb 0.94 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 3hx7 h VAL 17 CO 0.09 0.04 0.32 0.78 0.02 0.00 0.00 177.57 178.81 3hx7 h ASN 18 N -0.07 0.50 -0.43 0.57 2.35 -1.32 0.25 115.58 117.44 3hx7 h ASN 18 Ca -0.00 -0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.60 3hx7 h ASN 18 Cb 0.07 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 3hx7 h ASN 18 CO 0.00 0.36 -0.27 -1.28 -1.65 0.00 0.00 177.43 174.59 3hx7 h SER 19 N 0.59 0.99 -0.35 5.81 0.87 -0.71 -2.64 113.55 118.11 3hx7 h SER 19 Ca 0.18 -0.40 -0.15 0.00 -1.23 0.00 0.00 61.79 60.20 3hx7 h SER 19 Cb 0.01 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.69 3hx7 h SER 19 CO -0.04 1.19 -0.36 0.25 -0.53 0.00 0.00 176.83 177.33 3hx7 h LEU 20 N 0.81 0.92 -1.21 2.23 5.85 0.49 -2.29 115.31 122.12 3hx7 h LEU 20 Ca 0.09 -0.47 0.12 0.00 0.84 0.00 0.00 57.88 58.46 3hx7 h LEU 20 Cb 0.84 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.54 3hx7 h LEU 20 CO 0.07 1.21 0.58 0.58 -0.34 0.00 0.00 178.44 180.54 3hx7 h VAL 21 N 0.66 0.91 -0.23 1.05 2.07 -0.43 0.18 116.25 120.46 3hx7 h VAL 21 Ca 0.05 -0.28 -0.19 0.00 0.82 0.00 0.00 66.70 67.10 3hx7 h VAL 21 Cb 0.95 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3hx7 h VAL 21 CO 0.09 0.15 -0.63 -1.13 0.02 0.00 0.00 177.57 176.07 3hx7 h ASN 22 N 0.83 0.90 -0.88 0.57 -0.73 -1.30 -2.00 115.58 112.96 3hx7 h ASN 22 Ca 0.44 -0.52 0.00 0.00 1.87 0.00 0.00 56.30 58.09 3hx7 h ASN 22 Cb 0.53 -0.26 -0.04 0.00 0.27 0.00 0.00 38.32 38.82 3hx7 h ASN 22 CO -0.20 1.30 0.56 0.25 -0.37 0.00 0.00 177.43 178.98 3hx7 h LEU 23 N 0.58 1.03 -0.19 0.34 5.85 -0.46 -0.92 115.31 121.54 3hx7 h LEU 23 Ca -0.01 -0.04 -0.16 0.00 0.84 0.00 0.00 57.88 58.51 3hx7 h LEU 23 Cb 1.23 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.01 3hx7 h LEU 23 CO 0.13 0.76 -0.50 1.88 -0.34 0.00 0.00 178.44 180.37 3hx7 h TYR 24 N 1.20 0.87 -0.93 1.25 -1.99 -1.05 -1.62 116.97 114.71 3hx7 h TYR 24 Ca 0.32 -0.34 0.07 0.00 2.00 0.00 0.00 58.73 60.78 3hx7 h TYR 24 Cb -0.10 -0.15 -0.06 0.00 2.00 0.00 0.00 36.73 38.41 3hx7 h TYR 24 CO 0.00 1.13 0.60 -0.07 -0.00 0.00 0.00 178.16 179.82 3hx7 h LEU 25 N 0.37 0.92 -0.29 3.88 3.38 -0.94 0.39 115.31 123.03 3hx7 h LEU 25 Ca -0.01 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3hx7 h LEU 25 Cb 1.12 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 3hx7 h LEU 25 CO 0.11 0.58 -0.30 -0.61 0.09 0.00 0.00 178.44 178.31 3hx7 h GLN 26 N 1.04 0.71 -0.29 1.13 4.15 -1.10 -1.71 115.11 119.05 3hx7 h GLN 26 Ca 0.41 -0.38 0.02 0.00 0.77 0.00 0.00 58.65 59.47 3hx7 h GLN 26 Cb 0.24 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 3hx7 h GLN 26 CO -0.16 1.00 0.15 0.00 -1.93 0.00 0.00 178.83 177.88 3hx7 h ALA 27 N 0.70 0.35 -0.39 3.38 0.00 -0.17 -0.21 119.26 122.93 3hx7 h ALA 27 Ca 0.04 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.03 3hx7 h ALA 27 Cb 0.87 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 3hx7 h ALA 27 CO 0.07 -0.24 0.02 1.03 0.00 0.00 0.00 179.25 180.14 3hx7 h SER 28 N 0.31 -0.11 -0.87 0.00 0.87 -0.16 -0.72 113.55 112.87 3hx7 h SER 28 Ca 0.12 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 3hx7 h SER 28 Cb 0.03 0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.08 3hx7 h SER 28 CO -0.07 -0.02 0.49 0.22 -0.53 0.00 0.00 176.83 176.91 3hx7 h TYR 29 N 0.13 1.18 -0.07 2.24 3.20 -0.82 -1.26 116.97 121.57 3hx7 h TYR 29 Ca 0.19 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 3hx7 h TYR 29 Cb 0.26 -0.38 -0.00 0.00 1.54 0.00 0.00 36.73 38.14 3hx7 h TYR 29 CO -0.24 0.81 0.04 1.15 -1.64 0.00 0.00 178.16 178.28 3hx7 h THR 30 N 1.21 1.07 0.00 1.81 2.02 0.03 -1.84 112.91 117.21 3hx7 h THR 30 Ca 0.31 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 67.26 3hx7 h THR 30 Cb 0.01 1.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.50 3hx7 h THR 30 CO -0.05 0.06 -0.11 1.88 0.37 0.00 0.00 175.52 177.67 3hx7 h TYR 31 N 0.03 0.00 -0.27 3.16 0.05 -0.89 -1.18 116.97 117.87 3hx7 h TYR 31 Ca 0.03 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.76 3hx7 h TYR 31 Cb 0.07 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 3hx7 h TYR 31 CO -0.05 0.11 -0.01 1.25 -1.05 0.00 0.00 178.16 178.41 3hx7 h LEU 32 N 0.00 0.47 -0.71 3.88 5.85 -0.54 0.15 115.31 124.41 3hx7 h LEU 32 Ca -0.00 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 3hx7 h LEU 32 Cb 0.20 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3hx7 h LEU 32 CO 0.01 0.68 0.40 -1.28 -0.34 0.00 0.00 178.44 177.91 3hx7 h SER 33 N 0.26 0.88 -0.07 1.25 0.87 -0.57 -1.61 113.55 114.55 3hx7 h SER 33 Ca 0.07 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3hx7 h SER 33 Cb 0.44 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.17 3hx7 h SER 33 CO 0.02 0.71 0.04 -0.07 -0.53 0.00 0.00 176.83 177.00 3hx7 h LEU 34 N 0.97 0.09 -0.16 2.23 3.38 -1.05 -1.18 115.31 119.59 3hx7 h LEU 34 Ca 0.25 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.23 3hx7 h LEU 34 Cb 0.02 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 3hx7 h LEU 34 CO -0.04 0.11 -0.29 1.23 0.09 0.00 0.00 178.44 179.53 3hx7 h GLY 35 N 0.06 -0.35 2.00 0.83 0.00 -0.21 -2.16 103.07 103.24 3hx7 h GLY 35 Ca 0.03 0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.72 3hx7 h GLY 35 CO -0.00 -0.21 0.00 0.74 0.00 0.00 0.00 176.54 177.06 3hx7 h PHE 36 N -0.35 0.00 -0.09 5.60 -1.00 -1.24 -3.11 116.94 116.75 3hx7 h PHE 36 Ca 0.11 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.85 3hx7 h PHE 36 Cb 0.52 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.07 3hx7 h PHE 36 CO -0.40 0.00 -0.09 -0.92 -1.61 0.00 0.00 178.31 175.29 3hx7 h TYR 37 N 0.00 0.27 0.00 -0.55 3.20 -0.56 -2.97 116.97 116.35 3hx7 h TYR 37 Ca 0.00 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.79 3hx7 h TYR 37 Cb 0.58 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.80 3hx7 h TYR 37 CO 0.00 0.64 0.00 1.19 -1.64 0.00 0.00 178.16 178.35 3hx7 n PHE 38 N -4.67 0.74 1.53 -3.82 3.72 -1.04 -1.66 117.46 112.26 3hx7 n PHE 38 Ca -0.07 0.31 0.14 0.00 -0.05 0.00 0.00 57.45 57.79 3hx7 n PHE 38 Cb 0.32 -1.01 0.58 0.00 -0.94 0.00 0.00 39.48 38.43 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 -2.20 1.05 -4.75 4.37 4.64 -1.12 -2.06 116.55 116.48 3hx7 n ASP 39 Ca 0.01 -1.20 -0.41 0.00 -1.38 0.00 0.00 54.79 51.81 3hx7 n ASP 39 Cb 0.17 0.01 -0.02 0.00 -1.04 0.00 0.00 41.12 40.24 3hx7 n ASP 39 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 3hx7 s ARG 40 N -2.14 4.32 0.65 -0.67 0.52 -0.66 -4.72 118.95 116.24 3hx7 s ARG 40 Ca 0.36 2.24 0.33 0.00 -0.52 0.00 0.00 55.73 58.14 3hx7 s ARG 40 Cb 0.21 -3.10 1.82 0.00 0.52 0.00 0.00 34.95 34.39 3hx7 s ARG 40 CO 0.39 -0.30 2.05 0.38 0.02 0.00 0.00 175.30 177.83 3hx7 h ASP 41 N 4.35 0.00 -0.16 0.23 2.03 -1.89 0.48 116.42 121.46 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 1.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.72 3hx7 h ASP 41 CO 0.72 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 178.03 3hx7 n ASP 42 N -3.08 2.34 -0.01 4.15 3.85 -1.26 -4.25 116.55 118.28 3hx7 n ASP 42 Ca -0.01 -1.79 -0.04 0.00 -0.71 0.00 0.00 54.79 52.24 3hx7 n ASP 42 Cb 0.32 -0.09 -0.01 0.00 -1.35 0.00 0.00 41.12 39.98 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 0.79 0.51 -3.72 2.12 0.31 0.48 -5.08 118.33 113.74 3hx7 n VAL 43 Ca 0.17 0.05 -0.24 0.00 -0.01 0.00 0.00 64.34 64.31 3hx7 n VAL 43 Cb 0.46 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 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 -3.32 -2.69 -3.36 3.52 0.00 0.14 -4.96 120.51 109.83 3hx7 n ALA 44 Ca -0.07 -0.23 -0.26 0.00 0.00 0.00 0.00 53.44 52.88 3hx7 n ALA 44 Cb 0.44 -0.73 -0.09 0.00 0.00 0.00 0.00 19.45 19.08 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 -2.40 0.80 -0.29 0.00 4.77 -0.87 -4.99 117.00 114.02 3hx7 n LEU 45 Ca -0.30 -4.76 0.10 0.00 -0.03 0.00 0.00 56.01 51.03 3hx7 n LEU 45 Cb 0.66 0.27 0.26 0.00 -2.33 0.00 0.00 43.42 42.28 3hx7 n LEU 45 CO 0.60 1.97 1.00 -0.08 -1.33 0.00 0.00 177.39 179.55 3hx7 h GLU 46 N 4.67 0.33 -0.21 3.23 4.81 -1.93 -0.28 114.58 125.20 3hx7 h GLU 46 Ca 0.16 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.42 3hx7 h GLU 46 Cb 0.84 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.10 3hx7 h GLU 46 CO 0.52 0.22 -0.13 0.78 -0.73 0.00 0.00 179.01 179.67 3hx7 h GLY 47 N 0.34 0.04 1.59 1.92 0.00 -1.96 0.17 103.07 105.17 3hx7 h GLY 47 Ca 0.51 0.16 -0.11 0.00 0.00 0.00 0.00 47.33 47.88 3hx7 h GLY 47 CO -0.53 -0.14 -0.36 -2.08 0.00 0.00 0.00 176.54 173.43 3hx7 h VAL 48 N -0.11 1.29 0.28 4.60 2.07 -1.72 -2.05 116.25 120.62 3hx7 h VAL 48 Ca 0.12 -1.47 -0.01 0.00 0.82 0.00 0.00 66.70 66.16 3hx7 h VAL 48 Cb 0.29 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 3hx7 h VAL 48 CO -0.29 0.46 -0.14 -1.28 0.02 0.00 0.00 177.57 176.35 3hx7 h SER 49 N 0.39 -0.32 -0.22 0.57 0.87 -0.30 -2.11 113.55 112.43 3hx7 h SER 49 Ca 0.04 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 3hx7 h SER 49 Cb 0.81 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.84 3hx7 h SER 49 CO 0.07 -0.11 0.12 -0.74 -0.53 0.00 0.00 176.83 175.64 3hx7 h HIS 50 N -0.52 0.35 -0.14 2.24 6.17 -0.66 -1.41 115.15 121.17 3hx7 h HIS 50 Ca -0.04 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.04 3hx7 h HIS 50 Cb 0.39 -0.11 -0.01 0.00 2.52 0.00 0.00 27.41 30.20 3hx7 h HIS 50 CO -0.02 0.27 0.09 0.35 0.71 0.00 0.00 177.93 179.33 3hx7 h PHE 51 N 0.36 0.16 -0.07 5.26 3.57 -1.04 -1.26 116.94 123.92 3hx7 h PHE 51 Ca 0.09 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.46 3hx7 h PHE 51 Cb 0.05 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 3hx7 h PHE 51 CO 0.00 0.10 -0.58 0.74 -2.23 0.00 0.00 178.31 176.34 3hx7 h PHE 52 N 0.18 0.30 -0.50 0.41 0.05 -0.86 -2.96 116.94 113.55 3hx7 h PHE 52 Ca 0.06 -0.11 -0.08 0.00 3.82 0.00 0.00 57.97 61.66 3hx7 h PHE 52 Cb -0.01 -0.05 -0.02 0.00 2.00 0.00 0.00 35.95 37.86 3hx7 h PHE 52 CO -0.08 0.76 -0.01 0.00 -0.18 0.00 0.00 178.31 178.80 3hx7 h ARG 53 N 0.18 0.85 -0.52 1.51 3.08 -0.94 -0.38 114.38 118.16 3hx7 h ARG 53 Ca -0.00 -0.24 -0.06 0.00 0.07 0.00 0.00 59.98 59.74 3hx7 h ARG 53 Cb 1.07 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.00 3hx7 h ARG 53 CO 0.09 0.86 0.08 0.93 -1.07 0.00 0.00 179.97 180.86 3hx7 h GLU 54 N 0.79 0.83 -0.64 0.04 5.08 -1.16 -2.09 114.58 117.42 3hx7 h GLU 54 Ca 0.15 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 3hx7 h GLU 54 Cb 0.49 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 3hx7 h GLU 54 CO 0.02 0.78 0.07 -0.07 -1.00 0.00 0.00 179.01 178.81 3hx7 h LEU 55 N 0.79 1.03 -1.50 1.33 3.38 -1.22 -0.22 115.31 118.90 3hx7 h LEU 55 Ca 0.17 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 57.91 3hx7 h LEU 55 Cb 0.36 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3hx7 h LEU 55 CO 0.01 1.05 0.37 0.00 0.09 0.00 0.00 178.44 179.96 3hx7 h ALA 56 N 1.06 1.71 0.05 1.53 0.00 -0.45 -0.94 119.26 122.23 3hx7 h ALA 56 Ca 0.19 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.83 3hx7 h ALA 56 Cb 0.48 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3hx7 h ALA 56 CO 0.02 0.23 -1.05 1.49 0.00 0.00 0.00 179.25 179.93 3hx7 h GLU 57 N 0.65 0.26 -0.57 0.00 4.57 -0.80 -2.68 114.58 116.01 3hx7 h GLU 57 Ca 0.22 -0.36 -0.05 0.00 -1.18 0.00 0.00 59.36 58.00 3hx7 h GLU 57 Cb 0.09 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.77 3hx7 h GLU 57 CO -0.06 1.11 0.14 0.93 -1.18 0.00 0.00 179.01 179.95 3hx7 h GLU 58 N 0.11 0.87 -0.06 1.92 5.08 0.13 -0.80 114.58 121.83 3hx7 h GLU 58 Ca -0.09 -0.18 -0.16 0.00 -1.00 0.00 0.00 59.36 57.93 3hx7 h GLU 58 Cb 1.74 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.85 3hx7 h GLU 58 CO 0.17 0.78 -0.67 0.87 -1.00 0.00 0.00 179.01 179.16 3hx7 h LYS 59 N 0.84 0.27 -0.46 2.33 1.79 -1.25 -1.85 116.57 118.25 3hx7 h LYS 59 Ca 0.18 -0.21 -0.02 0.00 -2.18 0.00 0.00 60.65 58.42 3hx7 h LYS 59 Cb 0.30 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.97 3hx7 h LYS 59 CO -0.00 0.85 0.19 -0.09 -1.08 0.00 0.00 179.45 179.31 3hx7 h ARG 60 N 0.19 0.68 0.00 3.15 2.43 -1.06 0.83 114.38 120.60 3hx7 h ARG 60 Ca -0.02 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.03 3hx7 h ARG 60 Cb 1.21 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.65 3hx7 h ARG 60 CO 0.11 0.61 -0.02 0.93 -1.51 0.00 0.00 179.97 180.09 3hx7 h GLU 61 N 0.60 0.00 0.28 0.20 5.08 -1.01 -2.48 114.58 117.24 3hx7 h GLU 61 Ca 0.15 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 3hx7 h GLU 61 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3hx7 h GLU 61 CO -0.01 0.02 -0.13 0.78 -1.00 0.00 0.00 179.01 178.66 3hx7 h GLY 62 N 1.15 -0.39 2.00 -3.84 0.00 -0.00 -2.62 103.07 99.37 3hx7 h GLY 62 Ca -0.00 0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 3hx7 h GLY 62 CO 0.00 -0.14 -0.09 0.10 0.00 0.00 0.00 176.54 176.42 3hx7 h TYR 63 N -0.68 0.00 -0.47 5.60 -0.00 -1.30 -1.60 116.97 118.53 3hx7 h TYR 63 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 58.73 58.58 3hx7 h TYR 63 Cb 0.28 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.00 3hx7 h TYR 63 CO 0.05 0.09 -0.15 0.93 -0.00 0.00 0.00 178.16 179.07 3hx7 h GLU 64 N 0.00 0.89 -0.23 0.10 5.08 -1.52 0.16 114.58 119.06 3hx7 h GLU 64 Ca -0.00 -0.33 -0.13 0.00 -1.00 0.00 0.00 59.36 57.90 3hx7 h GLU 64 Cb 0.20 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3hx7 h GLU 64 CO 0.01 0.98 -0.41 -0.09 -1.00 0.00 0.00 179.01 178.50 3hx7 h ARG 65 N 0.79 0.54 0.21 2.33 2.43 -0.91 -1.81 114.38 117.95 3hx7 h ARG 65 Ca 0.12 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 59.01 3hx7 h ARG 65 Cb 0.68 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 3hx7 h ARG 65 CO 0.05 0.85 -0.10 -0.07 -1.51 0.00 0.00 179.97 179.19 3hx7 h LEU 66 N 0.44 -0.23 -1.18 3.80 3.38 -0.95 -1.48 115.31 119.09 3hx7 h LEU 66 Ca 0.04 -0.19 0.12 0.00 0.09 0.00 0.00 57.88 57.93 3hx7 h LEU 66 Cb 0.90 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.64 3hx7 h LEU 66 CO 0.08 0.07 0.59 -0.07 0.09 0.00 0.00 178.44 179.20 3hx7 h LEU 67 N -0.55 0.79 -0.30 1.67 3.38 -0.64 0.23 115.31 119.90 3hx7 h LEU 67 Ca -0.03 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3hx7 h LEU 67 Cb 0.41 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3hx7 h LEU 67 CO 0.05 0.44 0.04 0.50 0.09 0.00 0.00 178.44 179.55 3hx7 h LYS 68 N 0.86 0.50 -0.24 1.13 1.63 -1.21 -2.47 116.57 116.77 3hx7 h LYS 68 Ca 0.44 -0.14 -0.05 0.00 -0.85 0.00 0.00 60.65 60.06 3hx7 h LYS 68 Cb 0.51 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.07 3hx7 h LYS 68 CO -0.21 0.62 -0.05 1.98 -3.45 0.00 0.00 179.45 178.34 3hx7 h MET 69 N 0.32 0.38 0.47 1.90 4.05 -0.01 -1.37 114.93 120.68 3hx7 h MET 69 Ca 0.09 -0.08 -0.02 0.00 -0.28 0.00 0.00 59.70 59.41 3hx7 h MET 69 Cb 0.36 -0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 31.11 3hx7 h MET 69 CO 0.01 0.45 -0.26 0.37 0.23 0.00 0.00 176.91 177.71 3hx7 h GLN 70 N 0.36 -0.66 -0.82 0.39 5.75 -0.23 -1.79 115.11 118.11 3hx7 h GLN 70 Ca 0.08 0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.64 3hx7 h GLN 70 Cb 0.32 0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.98 3hx7 h GLN 70 CO 0.01 -0.44 0.54 -0.91 -2.65 0.00 0.00 178.83 175.39 3hx7 h ASN 71 N -0.68 0.92 -0.85 -0.69 2.35 -1.13 -1.47 115.58 114.02 3hx7 h ASN 71 Ca -0.06 -0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.69 3hx7 h ASN 71 Cb 0.54 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.64 3hx7 h ASN 71 CO 0.08 0.65 0.57 1.56 -1.65 0.00 0.00 177.43 178.64 3hx7 h GLN 72 N 1.07 1.10 0.00 0.81 4.20 -0.95 -2.52 115.11 118.83 3hx7 h GLN 72 Ca 0.31 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.92 3hx7 h GLN 72 Cb -0.07 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 27.45 3hx7 h GLN 72 CO -0.08 0.73 -0.37 0.00 -0.67 0.00 0.00 178.83 178.44 3hx7 h ARG 73 N 1.14 0.00 0.00 1.46 2.47 -0.57 -3.48 114.38 115.40 3hx7 h ARG 73 Ca 0.32 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.04 3hx7 h ARG 73 Cb -0.10 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.22 3hx7 h ARG 73 CO -0.08 0.12 0.00 0.41 0.56 0.00 0.00 179.97 180.99 3hx7 n GLY 74 N 1.16 0.68 3.68 0.04 0.00 -0.63 -3.68 105.19 106.45 3hx7 n GLY 74 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.82 1.60 -0.12 -0.02 0.00 -0.85 -4.64 107.32 101.46 3hx7 s GLY 75 Ca 0.00 -0.15 0.03 0.00 0.00 0.00 0.00 44.72 44.60 3hx7 s GLY 75 CO 0.00 0.40 -0.22 0.50 0.00 0.00 0.00 173.10 173.79 3hx7 s ARG 76 N -4.89 3.07 0.26 2.90 1.81 -1.26 -4.20 118.95 116.64 3hx7 s ARG 76 Ca 0.65 -0.85 -0.30 0.00 -1.72 0.00 0.00 55.73 53.51 3hx7 s ARG 76 Cb -0.19 -2.41 -0.10 0.00 -0.45 0.00 0.00 34.95 31.80 3hx7 s ARG 76 CO 0.58 0.08 1.40 0.00 -0.68 0.00 0.00 175.30 176.68 3hx7 s ALA 77 N 0.60 3.59 -0.19 2.13 0.00 -1.26 -5.00 121.76 121.62 3hx7 s ALA 77 Ca -0.12 1.29 -0.03 0.00 0.00 0.00 0.00 51.96 53.10 3hx7 s ALA 77 Cb -0.17 -3.53 0.06 0.00 0.00 0.00 0.00 23.12 19.48 3hx7 s ALA 77 CO 0.03 -0.70 0.04 -0.51 0.00 0.00 0.00 175.76 174.61 3hx7 s LEU 78 N -0.62 1.17 0.21 0.00 1.43 -1.26 -5.14 118.68 114.47 3hx7 s LEU 78 Ca 0.57 -0.83 -0.12 0.00 -1.03 0.00 0.00 54.13 52.73 3hx7 s LEU 78 Cb -0.41 -0.59 -0.07 0.00 0.03 0.00 0.00 46.19 45.15 3hx7 s LEU 78 CO 0.45 -0.31 0.56 -0.36 0.23 0.00 0.00 176.35 176.92 3hx7 s PHE 79 N 1.86 3.49 0.34 0.29 0.08 -1.26 -4.87 117.98 117.91 3hx7 s PHE 79 Ca -0.01 0.96 0.04 0.00 0.12 0.00 0.00 56.93 58.05 3hx7 s PHE 79 Cb -0.17 -2.32 -0.06 0.00 -0.57 0.00 0.00 43.02 39.90 3hx7 s PHE 79 CO -0.08 0.32 0.06 -0.65 -0.10 0.00 0.00 175.22 174.76 3hx7 s GLN 80 N -2.51 1.72 0.54 0.44 -1.52 -1.26 -5.13 119.66 111.93 3hx7 s GLN 80 Ca 0.44 -1.97 -0.22 0.00 -1.95 0.00 0.00 55.36 51.67 3hx7 s GLN 80 Cb -0.12 -0.95 -0.05 0.00 -0.22 0.00 0.00 33.01 31.67 3hx7 s GLN 80 CO 0.20 -0.20 1.33 -0.51 -0.25 0.00 0.00 175.29 175.86 3hx7 s ASP 81 N -3.53 5.38 -0.38 5.90 -0.00 -1.26 -4.97 116.67 117.80 3hx7 s ASP 81 Ca 0.35 2.69 -0.15 0.00 -0.00 0.00 0.00 52.55 55.44 3hx7 s ASP 81 Cb 0.08 -2.63 0.01 0.00 -0.00 0.00 0.00 42.92 40.38 3hx7 s ASP 81 CO 0.15 -1.49 0.30 -0.63 -0.00 0.00 0.00 175.17 173.50 3hx7 s ILE 82 N -1.35 5.24 0.22 0.77 1.01 -1.26 -5.05 121.20 120.79 3hx7 s ILE 82 Ca 0.71 -0.43 -0.30 0.00 0.00 0.00 0.00 60.65 60.62 3hx7 s ILE 82 Cb -0.38 -3.86 -0.10 0.00 0.01 0.00 0.00 42.46 38.12 3hx7 s ILE 82 CO 0.45 -0.21 1.49 -0.54 0.00 0.00 0.00 174.94 176.13 3hx7 s LYS 83 N 1.76 4.24 1.05 2.79 1.02 -1.26 -4.98 119.74 124.36 3hx7 s LYS 83 Ca 0.07 2.33 -0.12 0.00 0.02 0.00 0.00 55.97 58.27 3hx7 s LYS 83 Cb -0.18 -3.12 0.21 0.00 -0.52 0.00 0.00 37.83 34.22 3hx7 s LYS 83 CO 0.11 -0.49 1.04 0.36 -0.92 0.00 0.00 175.35 175.44 3hx7 n LYS 84 N 2.85 -1.45 -1.79 1.68 2.85 -1.26 -4.87 118.16 116.18 3hx7 n LYS 84 Ca 0.09 -0.38 -0.36 0.00 -1.05 0.00 0.00 58.31 56.62 3hx7 n LYS 84 Cb 0.40 -2.25 0.06 0.00 -0.65 0.00 0.00 35.03 32.59 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 -4.47 2.64 0.58 -1.58 0.02 -1.26 -4.89 135.00 126.03 3hx7 s PRO 85 Ca 0.67 1.89 0.27 0.00 0.02 0.00 0.00 61.00 63.85 3hx7 s PRO 85 Cb -0.24 -1.88 1.69 0.00 0.02 0.00 0.00 34.50 34.09 3hx7 s PRO 85 CO 0.62 -1.48 2.21 0.00 -0.33 0.00 0.00 177.00 178.01 3hx7 h ALA 86 N 0.49 1.68 -2.16 -1.55 0.00 -1.97 -3.44 119.26 112.31 3hx7 h ALA 86 Ca -0.50 -0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.00 3hx7 h ALA 86 Cb 1.31 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.96 3hx7 h ALA 86 CO 0.53 -0.06 -0.64 -1.21 0.00 0.00 0.00 179.25 177.87 3hx7 s GLU 87 N -4.72 1.45 -0.05 0.00 0.41 -1.26 -5.04 118.70 109.48 3hx7 s GLU 87 Ca -0.05 -1.76 0.07 0.00 -0.41 0.00 0.00 54.97 52.83 3hx7 s GLU 87 Cb 0.16 -0.71 -0.10 0.00 -1.78 0.00 0.00 34.13 31.69 3hx7 s GLU 87 CO 0.57 -0.12 0.07 -0.25 -0.49 0.00 0.00 175.26 175.05 3hx7 n ASP 88 N -0.51 3.18 -3.88 -0.19 8.00 -1.26 -4.96 116.55 116.93 3hx7 n ASP 88 Ca -0.04 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.27 3hx7 n ASP 88 Cb 0.65 0.90 -0.16 0.00 -0.02 0.00 0.00 41.12 42.48 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 -2.30 0.70 -0.01 -1.24 2.02 -1.26 -4.99 118.70 111.61 3hx7 s GLU 89 Ca -0.03 -0.07 0.22 0.00 0.02 0.00 0.00 54.97 55.11 3hx7 s GLU 89 Cb 0.03 -0.74 0.64 0.00 0.10 0.00 0.00 34.13 34.17 3hx7 s GLU 89 CO 0.31 -0.09 1.54 0.91 0.02 0.00 0.00 175.26 177.96 3hx7 n TRP 90 N 4.02 1.01 -1.18 1.61 7.02 -1.26 -5.06 117.44 123.60 3hx7 n TRP 90 Ca -0.26 -0.51 0.00 0.00 -1.02 0.00 0.00 57.50 55.71 3hx7 n TRP 90 Cb 0.51 -0.03 0.00 0.00 -2.42 0.00 0.00 31.31 29.37 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 1.56 2.77 3.95 6.99 0.00 -1.26 -3.70 105.19 115.51 3hx7 n GLY 91 Ca 0.24 -0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 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 3.39 0.23 1.61 1.02 -1.26 -4.91 119.74 119.82 3hx7 s LYS 92 Ca 0.00 -0.50 -0.16 0.00 0.02 0.00 0.00 55.97 55.33 3hx7 s LYS 92 Cb 0.00 -2.71 0.26 0.00 -0.52 0.00 0.00 37.83 34.86 3hx7 s LYS 92 CO 0.00 0.15 1.50 2.41 -0.92 0.00 0.00 175.35 178.49 3hx7 n THR 93 N -1.73 -0.50 -0.29 2.17 -1.04 -1.26 -0.59 114.28 111.04 3hx7 n THR 93 Ca -0.05 2.26 0.03 0.00 -2.04 0.00 0.00 64.05 64.25 3hx7 n THR 93 Cb 0.57 -3.01 0.23 0.00 -1.82 0.00 0.00 70.33 66.30 3hx7 n THR 93 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3hx7 h PRO 94 N 0.00 1.02 -0.10 -2.82 0.11 -1.95 -0.10 132.00 128.16 3hx7 h PRO 94 Ca 0.35 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.39 3hx7 h PRO 94 Cb 0.59 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 31.47 3hx7 h PRO 94 CO -0.97 0.68 0.02 -0.44 -0.21 0.00 0.00 178.00 177.08 3hx7 h ASP 95 N 1.05 0.15 -0.89 -2.05 3.45 -1.13 -1.47 116.42 115.55 3hx7 h ASP 95 Ca 0.36 -0.24 0.00 0.00 0.43 0.00 0.00 57.03 57.58 3hx7 h ASP 95 Cb 0.09 -0.04 -0.04 0.00 -0.56 0.00 0.00 39.33 38.77 3hx7 h ASP 95 CO -0.12 0.35 0.57 0.00 -1.57 0.00 0.00 179.24 178.48 3hx7 h ALA 96 N 0.81 1.12 -0.32 3.45 0.00 -0.88 -1.57 119.26 121.86 3hx7 h ALA 96 Ca 0.03 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 3hx7 h ALA 96 Cb 0.26 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3hx7 h ALA 96 CO 0.00 0.55 -0.29 1.98 0.00 0.00 0.00 179.25 181.49 3hx7 h MET 97 N 1.21 0.68 -0.56 0.00 -1.53 -0.90 -1.56 114.93 112.26 3hx7 h MET 97 Ca 0.32 -0.30 -0.10 0.00 -3.44 0.00 0.00 59.70 56.19 3hx7 h MET 97 Cb -0.11 -0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 30.90 3hx7 h MET 97 CO -0.07 0.89 -0.03 0.87 0.14 0.00 0.00 176.91 178.71 3hx7 h LYS 98 N 0.58 1.02 -0.15 0.39 1.57 -0.91 -0.95 116.57 118.12 3hx7 h LYS 98 Ca 0.07 -0.34 -0.00 0.00 -1.87 0.00 0.00 60.65 58.51 3hx7 h LYS 98 Cb 0.79 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 3hx7 h LYS 98 CO 0.06 1.02 0.09 0.00 -0.57 0.00 0.00 179.45 180.06 3hx7 h ALA 99 N 0.96 0.19 -0.41 3.86 0.00 -1.08 -0.59 119.26 122.19 3hx7 h ALA 99 Ca 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3hx7 h ALA 99 Cb 0.59 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3hx7 h ALA 99 CO 0.04 -0.28 0.27 0.00 0.00 0.00 0.00 179.25 179.27 3hx7 h ALA 100 N 0.99 0.51 -1.01 0.00 0.00 -1.19 -0.96 119.26 117.60 3hx7 h ALA 100 Ca 0.05 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.04 3hx7 h ALA 100 Cb 0.06 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 17.60 3hx7 h ALA 100 CO -0.01 -0.03 0.64 1.98 0.00 0.00 0.00 179.25 181.83 3hx7 h MET 101 N 0.55 1.03 0.19 0.00 -1.53 -0.95 -0.66 114.93 113.55 3hx7 h MET 101 Ca 0.15 -0.06 -0.01 0.00 -3.44 0.00 0.00 59.70 56.34 3hx7 h MET 101 Cb -0.06 -0.23 0.00 0.00 -0.55 0.00 0.00 31.60 30.76 3hx7 h MET 101 CO -0.03 0.68 -0.09 0.00 0.14 0.00 0.00 176.91 177.61 3hx7 h ALA 102 N 1.51 -0.25 -0.80 0.39 0.00 -0.21 -2.06 119.26 117.84 3hx7 h ALA 102 Ca 0.48 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.36 3hx7 h ALA 102 Cb 0.39 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 3hx7 h ALA 102 CO -0.24 -0.56 0.52 1.25 0.00 0.00 0.00 179.25 180.23 3hx7 h LEU 103 N -0.42 0.69 -0.30 0.00 5.85 -0.63 -1.28 115.31 119.23 3hx7 h LEU 103 Ca -0.03 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 3hx7 h LEU 103 Cb 0.32 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3hx7 h LEU 103 CO 0.04 0.42 -0.18 -0.33 -0.34 0.00 0.00 178.44 178.05 3hx7 h GLU 104 N 0.77 0.65 -0.29 1.25 4.39 -0.96 -0.94 114.58 119.45 3hx7 h GLU 104 Ca 0.36 -0.30 -0.05 0.00 0.34 0.00 0.00 59.36 59.71 3hx7 h GLU 104 Cb 0.38 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 3hx7 h GLU 104 CO -0.14 0.89 -0.03 0.87 -1.16 0.00 0.00 179.01 179.44 3hx7 h LYS 105 N 0.40 0.45 -0.24 2.33 1.57 -0.75 0.22 116.57 120.55 3hx7 h LYS 105 Ca 0.06 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3hx7 h LYS 105 Cb 0.72 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 3hx7 h LYS 105 CO 0.05 0.51 0.02 -0.22 -0.57 0.00 0.00 179.45 179.24 3hx7 h LYS 106 N 0.43 0.41 -0.21 3.15 3.64 -1.03 0.21 116.57 123.19 3hx7 h LYS 106 Ca 0.09 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 3hx7 h LYS 106 Cb 0.34 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3hx7 h LYS 106 CO 0.01 0.56 0.07 -0.07 -2.27 0.00 0.00 179.45 177.75 3hx7 h LEU 107 N 0.21 0.30 -0.84 5.20 3.38 -0.60 -1.18 115.31 121.78 3hx7 h LEU 107 Ca 0.07 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.88 3hx7 h LEU 107 Cb 0.36 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 3hx7 h LEU 107 CO 0.01 0.42 0.54 -1.13 0.09 0.00 0.00 178.44 178.36 3hx7 h ASN 108 N 0.16 0.89 -0.41 -0.43 -1.24 -0.49 0.15 115.58 114.22 3hx7 h ASN 108 Ca 0.07 -0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.06 3hx7 h ASN 108 Cb 0.22 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 39.06 3hx7 h ASN 108 CO -0.00 0.61 0.21 -0.61 -1.29 0.00 0.00 177.43 176.35 3hx7 h GLN 109 N 1.05 0.58 -0.42 6.67 5.75 -0.73 0.12 115.11 128.13 3hx7 h GLN 109 Ca 0.34 -0.08 -0.03 0.00 -0.15 0.00 0.00 58.65 58.73 3hx7 h GLN 109 Cb 0.01 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.43 3hx7 h GLN 109 CO -0.12 0.49 0.13 0.00 -2.65 0.00 0.00 178.83 176.69 3hx7 h ALA 110 N 1.06 1.44 -0.28 3.38 0.00 -0.35 -1.23 119.26 123.28 3hx7 h ALA 110 Ca 0.14 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3hx7 h ALA 110 Cb 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3hx7 h ALA 110 CO -0.02 0.42 -0.10 -0.07 0.00 0.00 0.00 179.25 179.48 3hx7 h LEU 111 N 0.61 0.57 -1.17 0.00 3.38 -0.11 -2.64 115.31 115.94 3hx7 h LEU 111 Ca 0.14 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 3hx7 h LEU 111 Cb 0.18 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3hx7 h LEU 111 CO -0.01 0.83 0.16 -0.07 0.09 0.00 0.00 178.44 179.44 3hx7 h LEU 112 N 0.30 0.68 -0.26 1.67 3.38 -0.48 -1.71 115.31 118.90 3hx7 h LEU 112 Ca 0.07 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3hx7 h LEU 112 Cb 0.60 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3hx7 h LEU 112 CO 0.03 0.65 -0.03 0.44 0.09 0.00 0.00 178.44 179.61 3hx7 h ASP 113 N 0.72 0.49 -0.35 -0.43 3.45 -1.18 -0.94 116.42 118.18 3hx7 h ASP 113 Ca 0.17 -0.34 -0.05 0.00 0.43 0.00 0.00 57.03 57.24 3hx7 h ASP 113 Cb 0.21 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 38.83 3hx7 h ASP 113 CO -0.01 0.71 0.08 0.25 -1.57 0.00 0.00 179.24 178.70 3hx7 h LEU 114 N 0.25 0.61 -0.36 1.55 5.85 -1.25 0.16 115.31 122.12 3hx7 h LEU 114 Ca 0.07 -0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.57 3hx7 h LEU 114 Cb 0.48 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3hx7 h LEU 114 CO 0.02 0.62 -0.22 -0.74 -0.34 0.00 0.00 178.44 177.79 3hx7 h HIS 115 N 0.63 0.91 -0.50 1.25 2.76 -1.15 0.32 115.15 119.37 3hx7 h HIS 115 Ca 0.14 -0.24 -0.01 0.00 -2.20 0.00 0.00 60.37 58.06 3hx7 h HIS 115 Cb 0.28 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.01 3hx7 h HIS 115 CO 0.01 0.99 0.26 0.00 -1.30 0.00 0.00 177.93 177.90 3hx7 h ALA 116 N 0.78 0.64 -0.43 5.26 0.00 -0.65 -0.94 119.26 123.91 3hx7 h ALA 116 Ca 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3hx7 h ALA 116 Cb 0.78 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3hx7 h ALA 116 CO 0.06 0.17 0.21 1.25 0.00 0.00 0.00 179.25 180.94 3hx7 h LEU 117 N 0.66 0.56 -1.74 0.00 5.85 -0.53 -1.51 115.31 118.60 3hx7 h LEU 117 Ca 0.17 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.83 3hx7 h LEU 117 Cb 0.07 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3hx7 h LEU 117 CO -0.03 0.52 0.28 1.23 -0.34 0.00 0.00 178.44 180.11 3hx7 h GLY 118 N 0.56 0.39 1.55 3.75 0.00 0.18 -0.65 103.07 108.85 3hx7 h GLY 118 Ca 0.15 -0.13 -0.23 0.00 0.00 0.00 0.00 47.33 47.12 3hx7 h GLY 118 CO -0.02 0.10 -0.96 1.76 0.00 0.00 0.00 176.54 177.42 3hx7 h SER 119 N 0.32 0.52 -0.05 0.19 0.02 -0.52 0.30 113.55 114.34 3hx7 h SER 119 Ca 0.18 -0.42 -0.06 0.00 -0.84 0.00 0.00 61.79 60.65 3hx7 h SER 119 Cb 0.32 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3hx7 h SER 119 CO -0.04 1.23 -0.12 0.00 -1.14 0.00 0.00 176.83 176.75 3hx7 h ALA 120 N 0.74 1.39 -0.50 3.77 0.00 -0.17 -1.56 119.26 122.92 3hx7 h ALA 120 Ca -0.08 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3hx7 h ALA 120 Cb 1.60 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.28 3hx7 h ALA 120 CO 0.16 0.42 0.00 0.54 0.00 0.00 0.00 179.25 180.38 3hx7 n ARG 121 N -4.24 2.81 -4.08 0.00 5.12 -0.52 -4.95 116.66 110.80 3hx7 n ARG 121 Ca -0.00 -2.07 -0.33 0.00 -1.93 0.00 0.00 57.85 53.52 3hx7 n ARG 121 Cb 0.29 -1.65 -0.03 0.00 -1.16 0.00 0.00 32.46 29.91 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 0.86 -2.58 -3.75 0.55 -2.24 -0.59 -4.93 114.28 101.61 3hx7 n THR 122 Ca 0.19 -0.58 -0.34 0.00 -2.27 0.00 0.00 64.05 61.05 3hx7 n THR 122 Cb 0.63 -2.17 -0.09 0.00 -2.10 0.00 0.00 70.33 66.59 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 -4.07 5.40 0.41 3.42 2.15 0.07 -4.95 116.67 119.10 3hx7 s ASP 123 Ca 0.17 -3.53 0.09 0.00 0.43 0.00 0.00 52.55 49.71 3hx7 s ASP 123 Cb -0.09 -1.81 0.90 0.00 -0.30 0.00 0.00 42.92 41.63 3hx7 s ASP 123 CO 0.95 -0.20 2.02 1.55 -0.17 0.00 0.00 175.17 179.31 3hx7 h PRO 124 N 6.08 0.52 -0.33 4.34 0.13 -1.92 -2.68 132.00 138.15 3hx7 h PRO 124 Ca 0.10 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.19 3hx7 h PRO 124 Cb 0.83 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.83 3hx7 h PRO 124 CO 0.78 0.34 0.17 1.25 -0.23 0.00 0.00 178.00 180.31 3hx7 h HIS 125 N 0.54 0.46 -0.33 1.56 -0.00 -1.96 -0.21 115.15 115.19 3hx7 h HIS 125 Ca 0.22 -0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.56 3hx7 h HIS 125 Cb 0.20 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.45 3hx7 h HIS 125 CO -0.00 0.39 0.14 1.25 -0.00 0.00 0.00 177.93 179.71 3hx7 h LEU 126 N 0.40 0.45 -0.02 0.26 5.85 -1.88 0.72 115.31 121.08 3hx7 h LEU 126 Ca 0.11 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.71 3hx7 h LEU 126 Cb 0.09 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3hx7 h LEU 126 CO -0.02 0.47 -0.12 0.00 -0.34 0.00 0.00 178.44 178.44 3hx7 h ASP 128 N -0.19 0.90 -0.32 0.00 3.58 -0.89 -0.26 116.42 119.23 3hx7 h ASP 128 Ca 0.05 -0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.44 3hx7 h ASP 128 Cb 0.26 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 3hx7 h ASP 128 CO -0.14 0.67 0.12 0.15 -2.88 0.00 0.00 179.24 177.17 3hx7 h PHE 129 N 1.05 0.56 0.16 0.28 3.04 -0.14 -1.39 116.94 120.51 3hx7 h PHE 129 Ca 0.28 -0.03 -0.29 0.00 3.98 0.00 0.00 57.97 61.91 3hx7 h PHE 129 Cb -0.08 -0.17 0.01 0.00 2.56 0.00 0.00 35.95 38.26 3hx7 h PHE 129 CO 0.00 0.48 -1.33 -0.07 -2.02 0.00 0.00 178.31 175.36 3hx7 h LEU 130 N 0.56 0.52 -0.24 0.59 3.38 -0.19 -2.95 115.31 116.99 3hx7 h LEU 130 Ca 0.13 -0.57 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 3hx7 h LEU 130 Cb 0.18 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3hx7 h LEU 130 CO -0.01 1.45 0.09 -0.33 0.09 0.00 0.00 178.44 179.74 3hx7 h GLU 131 N 0.09 0.36 -0.11 1.13 5.08 -0.83 -0.46 114.58 119.84 3hx7 h GLU 131 Ca -0.18 -0.07 -0.24 0.00 -1.00 0.00 0.00 59.36 57.88 3hx7 h GLU 131 Cb 2.03 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 31.23 3hx7 h GLU 131 CO 0.22 0.41 -0.86 1.15 -1.00 0.00 0.00 179.01 178.93 3hx7 h THR 132 N 0.23 1.27 -0.01 1.13 2.02 -1.37 -3.37 112.91 112.81 3hx7 h THR 132 Ca 0.08 -2.05 0.00 0.00 0.77 0.00 0.00 66.41 65.21 3hx7 h THR 132 Cb 0.19 2.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.69 3hx7 h THR 132 CO -0.01 0.65 -0.13 1.41 0.37 0.00 0.00 175.52 177.81 3hx7 n HIS 133 N -3.91 0.00 0.10 3.16 8.25 -1.11 -4.91 115.22 116.79 3hx7 n HIS 133 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 3hx7 n HIS 133 Cb 0.79 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.90 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 0.13 -1.42 -0.31 4.41 3.72 -0.82 -4.78 117.46 118.39 3hx7 n PHE 134 Ca 0.05 0.25 0.00 0.00 -0.05 0.00 0.00 57.45 57.71 3hx7 n PHE 134 Cb 0.25 0.35 0.07 0.00 -0.94 0.00 0.00 39.48 39.21 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 -1.11 -0.49 4.37 3.38 -1.28 -0.86 115.31 119.32 3hx7 h LEU 135 Ca 0.00 0.27 -0.16 0.00 0.09 0.00 0.00 57.88 58.09 3hx7 h LEU 135 Cb 0.00 0.63 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3hx7 h LEU 135 CO 0.00 -0.29 -0.46 -0.78 0.09 0.00 0.00 178.44 177.00 3hx7 h ASP 136 N -0.04 0.79 -0.93 -0.43 1.82 -1.83 -2.88 116.42 112.91 3hx7 h ASP 136 Ca 0.35 -0.38 0.09 0.00 -0.39 0.00 0.00 57.03 56.70 3hx7 h ASP 136 Cb 0.61 -0.22 -0.07 0.00 0.68 0.00 0.00 39.33 40.33 3hx7 h ASP 136 CO -0.89 1.12 0.60 -0.33 -1.61 0.00 0.00 179.24 178.14 3hx7 h GLU 137 N 0.58 0.97 -0.10 0.28 4.39 -1.50 -1.86 114.58 117.33 3hx7 h GLU 137 Ca 0.03 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 3hx7 h GLU 137 Cb 1.02 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 29.45 3hx7 h GLU 137 CO 0.10 0.64 -0.13 0.93 -1.16 0.00 0.00 179.01 179.38 3hx7 h GLU 138 N 0.99 0.27 -0.17 2.33 4.39 -1.19 -2.55 114.58 118.67 3hx7 h GLU 138 Ca 0.42 -0.15 0.03 0.00 0.34 0.00 0.00 59.36 60.00 3hx7 h GLU 138 Cb 0.32 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.95 3hx7 h GLU 138 CO -0.18 0.71 -0.05 0.28 -1.16 0.00 0.00 179.01 178.61 3hx7 h VAL 139 N -0.15 0.81 -0.77 3.13 2.07 -1.26 0.24 116.25 120.33 3hx7 h VAL 139 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 3hx7 h VAL 139 Cb 0.67 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 3hx7 h VAL 139 CO 0.03 0.00 0.50 0.11 0.02 0.00 0.00 177.57 178.23 3hx7 h LYS 140 N -0.01 1.01 -0.18 1.57 1.57 -1.41 -0.70 116.57 118.43 3hx7 h LYS 140 Ca 0.08 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 3hx7 h LYS 140 Cb 0.14 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 3hx7 h LYS 140 CO -0.18 0.68 -0.26 1.25 -0.57 0.00 0.00 179.45 180.37 3hx7 h LEU 141 N 1.04 0.54 -0.38 2.94 5.85 -0.94 -1.41 115.31 122.96 3hx7 h LEU 141 Ca 0.28 -0.52 0.00 0.00 0.84 0.00 0.00 57.88 58.48 3hx7 h LEU 141 Cb -0.10 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 3hx7 h LEU 141 CO -0.06 0.95 0.25 0.40 -0.34 0.00 0.00 178.44 179.64 3hx7 h ILE 142 N 0.14 1.10 -0.80 4.05 2.04 -0.20 -0.29 117.51 123.55 3hx7 h ILE 142 Ca 0.02 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.72 3hx7 h ILE 142 Cb 0.83 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 3hx7 h ILE 142 CO 0.06 0.09 0.52 0.50 0.00 0.00 0.00 178.15 179.32 3hx7 h LYS 143 N 0.51 1.01 -0.73 2.37 1.63 -1.13 0.88 116.57 121.11 3hx7 h LYS 143 Ca 0.14 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.85 3hx7 h LYS 143 Cb -0.06 -0.23 -0.03 0.00 -0.60 0.00 0.00 32.23 31.31 3hx7 h LYS 143 CO -0.03 0.67 0.34 -0.22 -3.45 0.00 0.00 179.45 176.76 3hx7 h LYS 144 N 1.04 1.06 -0.13 1.90 3.64 -0.66 -1.53 116.57 121.89 3hx7 h LYS 144 Ca 0.30 -0.16 -0.14 0.00 -1.27 0.00 0.00 60.65 59.38 3hx7 h LYS 144 Cb -0.07 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.55 3hx7 h LYS 144 CO -0.08 0.84 -0.52 0.52 -2.27 0.00 0.00 179.45 177.94 3hx7 h MET 145 N 1.03 0.37 -0.49 1.90 2.86 -0.44 -2.48 114.93 117.68 3hx7 h MET 145 Ca 0.25 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 3hx7 h MET 145 Cb 0.13 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 3hx7 h MET 145 CO -0.03 0.80 0.26 0.78 1.06 0.00 0.00 176.91 179.78 3hx7 h GLY 146 N 1.25 0.74 0.99 8.32 0.00 -0.33 0.64 103.07 114.68 3hx7 h GLY 146 Ca 0.01 -0.34 0.01 0.00 0.00 0.00 0.00 47.33 47.01 3hx7 h GLY 146 CO 0.09 0.33 0.37 -0.55 0.00 0.00 0.00 176.54 176.77 3hx7 h ASP 147 N 0.65 0.63 -0.75 0.19 3.32 -1.18 -0.79 116.42 118.50 3hx7 h ASP 147 Ca 0.17 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 3hx7 h ASP 147 Cb 0.06 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 3hx7 h ASP 147 CO -0.03 0.45 0.42 0.45 -1.72 0.00 0.00 179.24 178.82 3hx7 h HIS 148 N 0.75 1.01 0.22 4.55 3.86 -0.97 -0.49 115.15 124.07 3hx7 h HIS 148 Ca 0.21 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.39 3hx7 h HIS 148 Cb -0.08 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.07 3hx7 h HIS 148 CO -0.04 0.70 -0.10 -0.07 0.86 0.00 0.00 177.93 179.28 3hx7 h LEU 149 N 1.03 -0.25 -1.48 2.43 3.38 -0.28 0.27 115.31 120.41 3hx7 h LEU 149 Ca 0.26 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.24 3hx7 h LEU 149 Cb 0.01 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3hx7 h LEU 149 CO -0.05 -0.16 0.36 0.74 0.09 0.00 0.00 178.44 179.42 3hx7 h THR 150 N -0.31 1.11 -0.04 0.22 2.02 -0.87 -1.03 112.91 114.02 3hx7 h THR 150 Ca -0.03 -0.24 -0.21 0.00 0.77 0.00 0.00 66.41 66.70 3hx7 h THR 150 Cb 0.24 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.00 3hx7 h THR 150 CO 0.05 0.13 -0.85 0.78 0.37 0.00 0.00 175.52 176.00 3hx7 h ASN 151 N 0.70 0.51 -0.42 4.18 2.35 -0.82 -2.17 115.58 119.90 3hx7 h ASN 151 Ca 0.21 -0.37 -0.13 0.00 -0.55 0.00 0.00 56.30 55.45 3hx7 h ASN 151 Cb -0.02 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 3hx7 h ASN 151 CO -0.05 1.15 -0.23 -0.07 -1.65 0.00 0.00 177.43 176.58 3hx7 h LEU 152 N 0.25 0.94 -1.06 1.61 3.38 -0.36 -2.63 115.31 117.43 3hx7 h LEU 152 Ca -0.06 -0.41 -0.07 0.00 0.09 0.00 0.00 57.88 57.43 3hx7 h LEU 152 Cb 1.46 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 3hx7 h LEU 152 CO 0.15 1.15 -0.06 -0.74 0.09 0.00 0.00 178.44 179.02 3hx7 h HIS 153 N 0.73 0.64 -0.12 1.13 2.76 -1.23 -2.40 115.15 116.66 3hx7 h HIS 153 Ca 0.09 -0.09 -0.02 0.00 -2.20 0.00 0.00 60.37 58.16 3hx7 h HIS 153 Cb 0.81 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.58 3hx7 h HIS 153 CO 0.06 0.65 -0.00 -0.09 -1.30 0.00 0.00 177.93 177.24 3hx7 h ARG 154 N 0.56 0.16 -1.31 5.26 2.43 -1.08 -2.94 114.38 117.46 3hx7 h ARG 154 Ca 0.11 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3hx7 h ARG 154 Cb 0.45 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3hx7 h ARG 154 CO 0.02 0.18 0.00 1.28 -1.51 0.00 0.00 179.97 179.95 3hx7 n LEU 155 N -4.43 2.52 -3.93 3.80 4.77 -0.90 -4.50 117.00 114.32 3hx7 n LEU 155 Ca -0.01 -1.24 -0.30 0.00 -0.03 0.00 0.00 56.01 54.43 3hx7 n LEU 155 Cb 0.15 -0.44 -0.15 0.00 -2.33 0.00 0.00 43.42 40.65 3hx7 n LEU 155 CO 0.35 0.43 -0.30 -0.83 -1.33 0.00 0.00 177.39 175.72 3hx7 s GLY 156 N 1.11 1.86 0.00 -0.72 0.00 -1.11 -5.03 107.32 103.42 3hx7 s GLY 156 Ca 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 44.72 42.19 3hx7 s GLY 156 CO 0.00 1.12 0.00 0.61 0.00 0.00 0.00 173.10 174.83 3hx7 n GLY 157 N 4.08 0.62 3.59 0.20 0.00 -1.26 -4.93 105.19 107.49 3hx7 n GLY 157 Ca 0.03 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 3hx7 n GLY 157 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hx7 s PRO 158 N 0.00 0.05 0.00 1.61 0.04 -1.26 -5.14 135.00 130.29 3hx7 s PRO 158 Ca 0.00 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.07 3hx7 s PRO 158 Cb 0.00 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 32.89 3hx7 s PRO 158 CO 0.00 -3.13 0.00 0.39 0.04 0.00 0.00 177.00 174.30