#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx5 n SER 3 N 0.00 1.79 0.20 4.04 2.88 -1.26 -4.93 113.62 116.35 3hx5 n SER 3 Ca 0.00 0.89 0.15 0.00 -1.33 0.00 0.00 58.87 58.57 3hx5 n SER 3 Cb 0.00 -1.49 0.60 0.00 -0.75 0.00 0.00 64.21 62.56 3hx5 n SER 3 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 3hx5 h GLN 4 N 0.89 0.00 0.00 -1.46 3.07 -1.98 -3.16 115.11 112.47 3hx5 h GLN 4 Ca -0.50 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.22 3hx5 h GLN 4 Cb 1.34 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.89 3hx5 h GLN 4 CO 0.54 0.00 -1.99 0.44 0.09 0.00 0.00 178.83 177.90 3hx5 n ILE 5 N -2.66 0.10 -1.50 1.86 -5.35 -1.26 -5.02 119.36 105.52 3hx5 n ILE 5 Ca 0.01 -0.51 -0.45 0.00 -0.27 0.00 0.00 62.75 61.54 3hx5 n ILE 5 Cb 0.26 -0.02 -0.01 0.00 -1.74 0.00 0.00 39.64 38.13 3hx5 n ILE 5 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 3hx5 n ARG 6 N -2.27 0.79 -3.41 6.28 0.63 -1.20 -4.89 116.66 112.59 3hx5 n ARG 6 Ca -0.06 0.28 0.02 0.00 -0.92 0.00 0.00 57.85 57.17 3hx5 n ARG 6 Cb 0.59 -1.53 -0.05 0.00 0.45 0.00 0.00 32.46 31.92 3hx5 n ARG 6 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 3hx5 s GLN 7 N -1.41 0.18 -2.11 -0.14 0.74 -1.26 -4.94 119.66 110.71 3hx5 s GLN 7 Ca 0.61 0.40 0.00 0.00 0.05 0.00 0.00 55.36 56.42 3hx5 s GLN 7 Cb -0.74 0.18 0.00 0.00 1.10 0.00 0.00 33.01 33.55 3hx5 s GLN 7 CO 0.58 -0.05 0.00 -1.71 -0.55 0.00 0.00 175.29 173.56 3hx5 n ASN 8 N 4.31 -5.59 -4.13 6.67 2.85 -1.26 -4.94 115.26 113.16 3hx5 n ASN 8 Ca -0.11 0.39 -0.37 0.00 -0.11 0.00 0.00 54.58 54.38 3hx5 n ASN 8 Cb 0.55 -4.87 -0.10 0.00 1.24 0.00 0.00 39.78 36.60 3hx5 n ASN 8 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 3hx5 s TYR 9 N -2.83 3.52 0.69 1.20 5.04 -1.26 -4.81 117.35 118.89 3hx5 s TYR 9 Ca 0.00 -2.39 -0.15 0.00 -2.44 0.00 0.00 57.07 52.09 3hx5 s TYR 9 Cb 0.00 -3.28 0.02 0.00 0.35 0.00 0.00 41.96 39.04 3hx5 s TYR 9 CO 0.00 -0.94 1.16 -1.54 -1.34 0.00 0.00 175.55 172.89 3hx5 s SER 10 N 1.68 4.70 0.03 4.32 1.04 -1.26 -4.92 113.70 119.29 3hx5 s SER 10 Ca 0.10 2.19 0.24 0.00 0.48 0.00 0.00 55.95 58.96 3hx5 s SER 10 Cb -0.22 -2.57 1.01 0.00 0.10 0.00 0.00 66.02 64.33 3hx5 s SER 10 CO -0.03 -1.92 1.77 0.35 0.98 0.00 0.00 173.24 174.39 3hx5 n THR 11 N -2.49 0.39 -0.02 2.02 -2.24 -1.26 -2.02 114.28 108.65 3hx5 n THR 11 Ca 0.12 0.06 -0.16 0.00 -2.27 0.00 0.00 64.05 61.80 3hx5 n THR 11 Cb 0.51 -0.69 -0.13 0.00 -2.10 0.00 0.00 70.33 67.92 3hx5 n THR 11 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3hx5 h ASP 12 N 0.00 0.20 0.22 3.42 3.45 -1.99 -2.80 116.42 118.92 3hx5 h ASP 12 Ca 0.00 -0.93 -0.01 0.00 0.43 0.00 0.00 57.03 56.52 3hx5 h ASP 12 Cb 0.44 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.15 3hx5 h ASP 12 CO 0.00 1.11 -0.11 0.58 -1.57 0.00 0.00 179.24 179.26 3hx5 h VAL 13 N -0.69 0.78 -0.45 -1.35 2.07 -1.91 -1.93 116.25 112.77 3hx5 h VAL 13 Ca -0.05 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.51 3hx5 h VAL 13 Cb 1.20 0.79 -0.08 0.00 -1.52 0.00 0.00 31.29 31.68 3hx5 h VAL 13 CO 0.06 0.00 -0.55 -0.08 0.02 0.00 0.00 177.57 177.03 3hx5 h GLU 14 N -0.31 -0.34 0.00 1.57 4.81 -1.51 0.28 114.58 119.08 3hx5 h GLU 14 Ca -0.03 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3hx5 h GLU 14 Cb 0.23 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.69 3hx5 h GLU 14 CO 0.05 -0.23 0.00 0.00 -0.73 0.00 0.00 179.01 178.11 3hx5 h ALA 15 N -0.04 1.00 0.19 2.92 0.00 -1.45 -1.86 119.26 120.03 3hx5 h ALA 15 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.67 3hx5 h ALA 15 Cb 0.56 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.37 3hx5 h ALA 15 CO -0.61 0.00 -1.48 0.00 0.00 0.00 0.00 179.25 177.16 3hx5 h ALA 16 N 2.09 0.02 -0.26 0.00 0.00 0.22 -3.14 119.26 118.19 3hx5 h ALA 16 Ca 0.00 -0.95 -0.00 0.00 0.00 0.00 0.00 54.91 53.95 3hx5 h ALA 16 Cb 0.25 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3hx5 h ALA 16 CO 0.00 0.88 0.15 0.28 0.00 0.00 0.00 179.25 180.56 3hx5 h VAL 17 N 0.11 1.12 0.00 0.00 2.07 0.12 -0.52 116.25 119.15 3hx5 h VAL 17 Ca -0.24 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.97 3hx5 h VAL 17 Cb 2.09 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 3hx5 h VAL 17 CO 0.23 0.12 0.00 0.78 0.02 0.00 0.00 177.57 178.71 3hx5 h ASN 18 N 0.32 0.00 0.38 0.57 2.35 -1.57 0.42 115.58 118.04 3hx5 h ASN 18 Ca 0.09 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.53 3hx5 h ASN 18 Cb 0.06 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 3hx5 h ASN 18 CO -0.02 0.00 -1.73 -1.28 -1.65 0.00 0.00 177.43 172.75 3hx5 h SER 19 N 0.00 0.25 -0.40 5.81 0.87 -1.36 -3.09 113.55 115.63 3hx5 h SER 19 Ca 0.00 -0.46 -0.13 0.00 -1.23 0.00 0.00 61.79 59.97 3hx5 h SER 19 Cb 0.29 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 3hx5 h SER 19 CO 0.00 1.41 -0.24 0.25 -0.53 0.00 0.00 176.83 177.72 3hx5 h LEU 20 N 0.04 0.94 -0.62 2.23 5.85 -0.43 -1.45 115.31 121.87 3hx5 h LEU 20 Ca -0.31 -0.36 0.07 0.00 0.84 0.00 0.00 57.88 58.11 3hx5 h LEU 20 Cb 2.01 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 42.73 3hx5 h LEU 20 CO 0.11 1.13 0.32 0.58 -0.34 0.00 0.00 178.44 180.24 3hx5 h VAL 21 N 0.79 0.92 0.00 1.05 2.07 -1.04 0.26 116.25 120.30 3hx5 h VAL 21 Ca 0.10 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 3hx5 h VAL 21 Cb 0.80 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3hx5 h VAL 21 CO 0.07 0.11 -0.25 -1.13 0.02 0.00 0.00 177.57 176.38 3hx5 h ASN 22 N 0.58 0.00 -0.16 0.57 -0.73 -1.39 -0.89 115.58 113.56 3hx5 h ASN 22 Ca 0.29 0.00 -0.21 0.00 1.87 0.00 0.00 56.30 58.25 3hx5 h ASN 22 Cb 0.23 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.83 3hx5 h ASN 22 CO -0.21 0.25 -0.70 0.25 -0.37 0.00 0.00 177.43 176.65 3hx5 h LEU 23 N 0.00 0.90 -0.40 0.34 5.85 0.44 -2.31 115.31 120.13 3hx5 h LEU 23 Ca -0.00 -0.62 -0.12 0.00 0.84 0.00 0.00 57.88 57.98 3hx5 h LEU 23 Cb 0.64 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 3hx5 h LEU 23 CO 0.03 1.37 -0.21 1.88 -0.34 0.00 0.00 178.44 181.17 3hx5 h TYR 24 N 0.49 0.98 -0.86 1.25 -1.99 -0.31 -1.10 116.97 115.43 3hx5 h TYR 24 Ca -0.04 -0.25 0.06 0.00 2.00 0.00 0.00 58.73 60.50 3hx5 h TYR 24 Cb 1.34 -0.22 -0.05 0.00 2.00 0.00 0.00 36.73 39.79 3hx5 h TYR 24 CO 0.09 1.02 0.56 -0.07 -0.00 0.00 0.00 178.16 179.76 3hx5 h LEU 25 N 0.66 0.85 -0.55 3.88 3.38 -1.18 0.26 115.31 122.62 3hx5 h LEU 25 Ca 0.09 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 3hx5 h LEU 25 Cb 0.78 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3hx5 h LEU 25 CO 0.06 0.55 -0.13 -0.61 0.09 0.00 0.00 178.44 178.40 3hx5 h GLN 26 N 0.96 1.03 0.24 1.13 5.75 -1.10 -1.21 115.11 121.92 3hx5 h GLN 26 Ca 0.37 -0.40 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 3hx5 h GLN 26 Cb 0.20 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.70 3hx5 h GLN 26 CO -0.13 1.08 -0.12 0.00 -2.65 0.00 0.00 178.83 177.01 3hx5 h ALA 27 N 0.92 -0.33 -0.79 3.38 0.00 0.12 -1.75 119.26 120.81 3hx5 h ALA 27 Ca 0.14 -0.17 0.17 0.00 0.00 0.00 0.00 54.91 55.04 3hx5 h ALA 27 Cb 0.71 0.13 -0.11 0.00 0.00 0.00 0.00 17.79 18.52 3hx5 h ALA 27 CO 0.05 -0.54 0.28 1.03 0.00 0.00 0.00 179.25 180.08 3hx5 h SER 28 N -0.62 0.19 -0.18 0.00 0.87 -0.50 0.25 113.55 113.55 3hx5 h SER 28 Ca -0.03 0.14 -0.10 0.00 -1.23 0.00 0.00 61.79 60.56 3hx5 h SER 28 Cb 0.45 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 3hx5 h SER 28 CO 0.06 0.03 -0.21 0.22 -0.53 0.00 0.00 176.83 176.39 3hx5 h TYR 29 N 0.37 0.70 -0.24 2.24 3.20 -1.12 -2.05 116.97 120.07 3hx5 h TYR 29 Ca 0.45 -0.14 -0.05 0.00 3.14 0.00 0.00 58.73 62.13 3hx5 h TYR 29 Cb 0.77 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 3hx5 h TYR 29 CO -0.20 0.78 -0.04 1.15 -1.64 0.00 0.00 178.16 178.22 3hx5 h THR 30 N 0.55 1.28 -0.49 1.81 2.02 0.34 -2.59 112.91 115.83 3hx5 h THR 30 Ca 0.08 -1.02 0.00 0.00 0.77 0.00 0.00 66.41 66.24 3hx5 h THR 30 Cb 0.66 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 3hx5 h THR 30 CO 0.05 0.32 0.31 1.88 0.37 0.00 0.00 175.52 178.44 3hx5 h TYR 31 N 0.20 0.63 -0.83 3.16 0.05 -0.97 -0.62 116.97 118.58 3hx5 h TYR 31 Ca 0.06 0.01 0.15 0.00 0.05 0.00 0.00 58.73 59.00 3hx5 h TYR 31 Cb 0.49 -0.21 -0.10 0.00 1.01 0.00 0.00 36.73 37.93 3hx5 h TYR 31 CO 0.05 0.42 0.40 1.25 -1.05 0.00 0.00 178.16 179.23 3hx5 h LEU 32 N 0.66 0.45 -0.42 3.88 5.85 -1.28 0.65 115.31 125.10 3hx5 h LEU 32 Ca 0.18 0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.95 3hx5 h LEU 32 Cb -0.04 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3hx5 h LEU 32 CO -0.04 0.17 0.09 -1.28 -0.34 0.00 0.00 178.44 177.04 3hx5 h SER 33 N 0.56 0.65 -0.31 1.25 0.87 -0.89 -2.33 113.55 113.35 3hx5 h SER 33 Ca 0.46 -0.25 -0.00 0.00 -1.23 0.00 0.00 61.79 60.78 3hx5 h SER 33 Cb 0.70 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 3hx5 h SER 33 CO -0.39 0.73 0.18 -0.07 -0.53 0.00 0.00 176.83 176.75 3hx5 h LEU 34 N 0.54 0.38 0.06 2.23 3.38 0.64 -1.59 115.31 120.95 3hx5 h LEU 34 Ca 0.13 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.04 3hx5 h LEU 34 Cb 0.34 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3hx5 h LEU 34 CO 0.00 0.33 -0.30 1.23 0.09 0.00 0.00 178.44 179.79 3hx5 h GLY 35 N 0.39 -1.20 2.00 0.83 0.00 0.42 -1.84 103.07 103.67 3hx5 h GLY 35 Ca 0.11 0.60 0.00 0.00 0.00 0.00 0.00 47.33 48.04 3hx5 h GLY 35 CO -0.02 -0.35 0.00 0.69 0.00 0.00 0.00 176.54 176.86 3hx5 n PHE 36 N -4.17 0.56 -0.09 5.60 3.01 -0.90 -1.72 117.46 119.76 3hx5 n PHE 36 Ca -0.05 0.25 -0.14 0.00 1.01 0.00 0.00 57.45 58.52 3hx5 n PHE 36 Cb 0.23 -0.90 -0.04 0.00 -0.01 0.00 0.00 39.48 38.77 3hx5 n PHE 36 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 3hx5 h TYR 37 N 0.00 0.94 0.00 1.38 3.20 -0.44 -2.95 116.97 119.09 3hx5 h TYR 37 Ca 0.00 -0.30 0.00 0.00 3.14 0.00 0.00 58.73 61.57 3hx5 h TYR 37 Cb 0.21 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.30 3hx5 h TYR 37 CO 0.00 1.09 0.00 1.19 -1.64 0.00 0.00 178.16 178.80 3hx5 n PHE 38 N -4.17 0.00 0.64 -3.82 3.72 -0.70 -2.78 117.46 110.35 3hx5 n PHE 38 Ca -0.04 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.47 3hx5 n PHE 38 Cb 0.53 -0.25 0.09 0.00 -0.94 0.00 0.00 39.48 38.91 3hx5 n PHE 38 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3hx5 n ASP 39 N -1.25 0.63 -4.60 4.37 4.64 -1.12 -1.73 116.55 117.49 3hx5 n ASP 39 Ca 0.13 -0.15 -0.40 0.00 -1.38 0.00 0.00 54.79 52.99 3hx5 n ASP 39 Cb 0.19 0.56 0.02 0.00 -1.04 0.00 0.00 41.12 40.86 3hx5 n ASP 39 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3hx5 n ARG 40 N -1.93 1.19 0.32 -0.67 1.74 -1.12 -4.62 116.66 111.57 3hx5 n ARG 40 Ca 0.03 0.43 0.20 0.00 -0.77 0.00 0.00 57.85 57.75 3hx5 n ARG 40 Cb 0.42 -2.06 1.03 0.00 -1.02 0.00 0.00 32.46 30.83 3hx5 n ARG 40 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 3hx5 h ASP 41 N 1.18 0.00 0.10 0.55 2.03 -1.92 -0.34 116.42 118.02 3hx5 h ASP 41 Ca -0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 3hx5 h ASP 41 Cb 1.35 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.85 3hx5 h ASP 41 CO 0.55 0.01 -0.18 -0.90 -1.03 0.00 0.00 179.24 177.68 3hx5 n ASP 42 N -3.16 1.48 -0.01 4.15 3.85 -1.26 -4.41 116.55 117.20 3hx5 n ASP 42 Ca -0.02 -1.26 -0.03 0.00 -0.71 0.00 0.00 54.79 52.77 3hx5 n ASP 42 Cb 0.15 0.12 -0.01 0.00 -1.35 0.00 0.00 41.12 40.03 3hx5 n ASP 42 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 3hx5 n VAL 43 N -0.13 1.05 -3.55 2.12 0.31 -0.79 -5.08 118.33 112.27 3hx5 n VAL 43 Ca 0.14 0.28 -0.25 0.00 -0.01 0.00 0.00 64.34 64.50 3hx5 n VAL 43 Cb 0.39 -1.76 0.05 0.00 -0.91 0.00 0.00 33.84 31.61 3hx5 n VAL 43 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hx5 n ALA 44 N -3.60 -2.45 -3.43 3.52 0.00 -0.21 -4.98 120.51 109.37 3hx5 n ALA 44 Ca -0.05 -0.11 -0.26 0.00 0.00 0.00 0.00 53.44 53.02 3hx5 n ALA 44 Cb 0.17 -4.32 -0.09 0.00 0.00 0.00 0.00 19.45 15.22 3hx5 n ALA 44 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hx5 n LEU 45 N -3.90 2.20 -0.39 0.00 4.77 -0.71 -4.95 117.00 114.02 3hx5 n LEU 45 Ca -0.12 -5.09 0.36 0.00 -0.03 0.00 0.00 56.01 51.13 3hx5 n LEU 45 Cb 0.61 -0.19 0.70 0.00 -2.33 0.00 0.00 43.42 42.22 3hx5 n LEU 45 CO 0.65 1.99 1.32 -0.08 -1.33 0.00 0.00 177.39 179.94 3hx5 h GLU 46 N 4.46 0.08 -0.09 3.23 4.81 -1.94 0.39 114.58 125.52 3hx5 h GLU 46 Ca 0.16 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 3hx5 h GLU 46 Cb 0.76 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 3hx5 h GLU 46 CO 0.66 0.06 -0.03 0.78 -0.73 0.00 0.00 179.01 179.75 3hx5 h GLY 47 N 0.09 0.19 0.90 1.92 0.00 -1.94 -0.53 103.07 103.69 3hx5 h GLY 47 Ca 0.65 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.83 3hx5 h GLY 47 CO -0.11 0.14 0.01 -2.08 0.00 0.00 0.00 176.54 174.50 3hx5 h VAL 48 N -0.17 1.09 -0.36 4.60 2.07 -1.38 -1.78 116.25 120.31 3hx5 h VAL 48 Ca 0.02 -0.27 0.08 0.00 0.82 0.00 0.00 66.70 67.35 3hx5 h VAL 48 Cb 0.45 1.23 -0.08 0.00 -1.52 0.00 0.00 31.29 31.37 3hx5 h VAL 48 CO 0.01 0.07 -0.15 -1.28 0.02 0.00 0.00 177.57 176.24 3hx5 h SER 49 N -0.07 -0.52 -0.34 0.57 0.87 -1.14 0.68 113.55 113.59 3hx5 h SER 49 Ca 0.01 0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 3hx5 h SER 49 Cb 0.11 0.30 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 3hx5 h SER 49 CO -0.00 -0.19 0.19 -0.74 -0.53 0.00 0.00 176.83 175.56 3hx5 h HIS 50 N -0.08 0.48 0.79 2.24 6.17 -0.96 -0.89 115.15 122.89 3hx5 h HIS 50 Ca 0.18 -0.00 -0.04 0.00 0.71 0.00 0.00 60.37 61.22 3hx5 h HIS 50 Cb 0.36 -0.16 0.01 0.00 2.52 0.00 0.00 27.41 30.14 3hx5 h HIS 50 CO -0.38 0.35 -0.38 0.35 0.71 0.00 0.00 177.93 178.58 3hx5 h PHE 51 N 0.50 -0.99 -0.72 5.26 3.57 0.01 -0.86 116.94 123.71 3hx5 h PHE 51 Ca 0.13 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 3hx5 h PHE 51 Cb 0.03 0.33 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 3hx5 h PHE 51 CO 0.00 -0.61 0.25 0.74 -2.23 0.00 0.00 178.31 176.45 3hx5 h PHE 52 N -1.06 1.15 -0.32 0.41 0.05 -1.12 -1.70 116.94 114.34 3hx5 h PHE 52 Ca -0.11 -0.11 -0.01 0.00 3.82 0.00 0.00 57.97 61.56 3hx5 h PHE 52 Cb 0.82 -0.34 -0.02 0.00 2.00 0.00 0.00 35.95 38.41 3hx5 h PHE 52 CO -0.02 0.90 0.16 0.00 -0.18 0.00 0.00 178.31 179.17 3hx5 h ARG 53 N 1.06 0.44 0.00 1.51 3.08 -1.09 0.17 114.38 119.55 3hx5 h ARG 53 Ca 0.24 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 60.14 3hx5 h ARG 53 Cb 0.28 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3hx5 h ARG 53 CO -0.01 0.35 -0.47 1.49 -1.07 0.00 0.00 179.97 180.25 3hx5 h GLU 54 N 0.45 0.00 -0.06 0.04 4.81 -0.64 -3.01 114.58 116.16 3hx5 h GLU 54 Ca 0.12 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.23 3hx5 h GLU 54 Cb 0.05 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.43 3hx5 h GLU 54 CO -0.02 0.47 -0.43 -0.07 -0.73 0.00 0.00 179.01 178.24 3hx5 h LEU 55 N 0.00 0.49 -1.67 1.64 3.38 -0.03 -2.71 115.31 116.40 3hx5 h LEU 55 Ca -0.00 -0.67 0.10 0.00 0.09 0.00 0.00 57.88 57.39 3hx5 h LEU 55 Cb 1.22 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 3hx5 h LEU 55 CO 0.06 1.08 0.40 0.00 0.09 0.00 0.00 178.44 180.07 3hx5 h ALA 56 N 0.41 2.06 0.00 1.53 0.00 -0.79 0.18 119.26 122.65 3hx5 h ALA 56 Ca -0.04 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 3hx5 h ALA 56 Cb 1.09 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3hx5 h ALA 56 CO 0.09 -0.19 -0.57 1.49 0.00 0.00 0.00 179.25 180.07 3hx5 h GLU 57 N 0.37 0.00 -0.21 0.00 4.57 -1.42 -2.17 114.58 115.73 3hx5 h GLU 57 Ca 0.27 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 58.27 3hx5 h GLU 57 Cb 0.58 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 3hx5 h GLU 57 CO -0.07 0.57 -0.62 0.93 -1.18 0.00 0.00 179.01 178.63 3hx5 h GLU 58 N 0.00 0.72 -0.40 1.92 5.08 -0.35 -2.18 114.58 119.37 3hx5 h GLU 58 Ca -0.01 -0.50 -0.11 0.00 -1.00 0.00 0.00 59.36 57.74 3hx5 h GLU 58 Cb 1.04 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 3hx5 h GLU 58 CO 0.07 1.12 -0.22 0.87 -1.00 0.00 0.00 179.01 179.86 3hx5 h LYS 59 N 0.53 0.79 -0.59 2.33 1.79 -1.17 -1.34 116.57 118.90 3hx5 h LYS 59 Ca -0.01 -0.32 -0.03 0.00 -2.18 0.00 0.00 60.65 58.12 3hx5 h LYS 59 Cb 1.22 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.80 3hx5 h LYS 59 CO 0.13 0.93 0.25 -0.09 -1.08 0.00 0.00 179.45 179.59 3hx5 h ARG 60 N 0.69 0.88 0.00 3.15 2.43 -1.31 0.35 114.38 120.56 3hx5 h ARG 60 Ca 0.10 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3hx5 h ARG 60 Cb 0.73 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 3hx5 h ARG 60 CO 0.06 0.74 0.00 0.93 -1.51 0.00 0.00 179.97 180.19 3hx5 h GLU 61 N 0.82 0.00 0.13 0.20 5.08 -1.19 -2.35 114.58 117.27 3hx5 h GLU 61 Ca 0.20 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 3hx5 h GLU 61 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3hx5 h GLU 61 CO -0.02 0.00 -0.06 0.78 -1.00 0.00 0.00 179.01 178.71 3hx5 h GLY 62 N 2.50 -0.18 1.75 -3.84 0.00 0.18 -2.95 103.07 100.52 3hx5 h GLY 62 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3hx5 h GLY 62 CO 0.00 -0.06 0.17 0.10 0.00 0.00 0.00 176.54 176.74 3hx5 h TYR 63 N -0.82 0.31 0.00 5.60 -0.00 -1.13 0.78 116.97 121.72 3hx5 h TYR 63 Ca -0.02 0.01 -0.08 0.00 0.00 0.00 0.00 58.73 58.64 3hx5 h TYR 63 Cb 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 36.73 36.74 3hx5 h TYR 63 CO 0.01 0.20 -0.37 0.93 -0.00 0.00 0.00 178.16 178.93 3hx5 h GLU 64 N 0.34 0.00 0.00 0.10 5.08 -1.56 -0.89 114.58 117.66 3hx5 h GLU 64 Ca 0.09 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.27 3hx5 h GLU 64 Cb -0.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3hx5 h GLU 64 CO -0.02 0.37 -0.87 -0.09 -1.00 0.00 0.00 179.01 177.40 3hx5 h ARG 65 N 0.00 0.05 0.11 2.33 2.43 -0.70 -2.14 114.38 116.46 3hx5 h ARG 65 Ca -0.00 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3hx5 h ARG 65 Cb 0.74 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 3hx5 h ARG 65 CO 0.05 0.88 -0.05 -0.07 -1.51 0.00 0.00 179.97 179.26 3hx5 h LEU 66 N 0.02 -0.13 -1.32 3.80 3.38 -0.66 -2.21 115.31 118.20 3hx5 h LEU 66 Ca -0.02 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 57.66 3hx5 h LEU 66 Cb 1.52 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 42.26 3hx5 h LEU 66 CO 0.12 0.29 0.49 -0.07 0.09 0.00 0.00 178.44 179.35 3hx5 h LEU 67 N -0.56 0.76 -0.72 1.67 3.38 -1.23 0.18 115.31 118.79 3hx5 h LEU 67 Ca -0.02 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3hx5 h LEU 67 Cb 0.45 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3hx5 h LEU 67 CO 0.02 0.52 0.38 0.50 0.09 0.00 0.00 178.44 179.95 3hx5 h LYS 68 N 0.88 1.01 -0.30 1.13 1.63 -1.28 -2.46 116.57 117.18 3hx5 h LYS 68 Ca 0.30 -0.13 -0.16 0.00 -0.85 0.00 0.00 60.65 59.81 3hx5 h LYS 68 Cb 0.09 -0.19 -0.00 0.00 -0.60 0.00 0.00 32.23 31.53 3hx5 h LYS 68 CO -0.09 0.76 -0.47 1.98 -3.45 0.00 0.00 179.45 178.19 3hx5 h MET 69 N 0.99 0.79 0.27 1.90 4.05 -0.57 -2.50 114.93 119.86 3hx5 h MET 69 Ca 0.25 -0.45 0.00 0.00 -0.28 0.00 0.00 59.70 59.22 3hx5 h MET 69 Cb 0.06 0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 30.86 3hx5 h MET 69 CO -0.04 1.08 -0.50 0.37 0.23 0.00 0.00 176.91 178.05 3hx5 h GLN 70 N 0.62 -0.81 0.00 0.39 5.75 -0.28 -0.83 115.11 119.95 3hx5 h GLN 70 Ca 0.03 0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.57 3hx5 h GLN 70 Cb 1.04 0.18 -0.00 0.00 1.07 0.00 0.00 27.48 29.77 3hx5 h GLN 70 CO 0.10 -0.54 -0.08 -0.91 -2.65 0.00 0.00 178.83 174.75 3hx5 h ASN 71 N -0.84 0.00 0.01 -0.69 4.21 -1.51 -1.19 115.58 115.57 3hx5 h ASN 71 Ca -0.02 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.39 3hx5 h ASN 71 Cb 0.79 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.98 3hx5 h ASN 71 CO -0.19 0.08 -0.30 1.56 -1.29 0.00 0.00 177.43 177.29 3hx5 h GLN 72 N 0.00 0.43 0.00 0.81 1.08 -0.72 -3.15 115.11 113.56 3hx5 h GLN 72 Ca -0.00 -0.17 -0.22 0.00 -1.45 0.00 0.00 58.65 56.81 3hx5 h GLN 72 Cb 0.25 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.62 3hx5 h GLN 72 CO 0.01 0.68 -1.54 0.54 -0.95 0.00 0.00 178.83 177.58 3hx5 n ARG 73 N -4.10 0.62 0.00 1.46 5.12 -0.51 -4.97 116.66 114.28 3hx5 n ARG 73 Ca -0.01 0.26 0.00 0.00 -1.93 0.00 0.00 57.85 56.17 3hx5 n ARG 73 Cb 0.43 -1.80 0.00 0.00 -1.16 0.00 0.00 32.46 29.92 3hx5 n ARG 73 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hx5 n GLY 74 N 1.46 1.29 3.36 -0.13 0.00 -0.57 -3.50 105.19 107.10 3hx5 n GLY 74 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 3hx5 n GLY 74 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hx5 s GLY 75 N -1.26 1.45 -0.06 -0.02 0.00 -0.56 -4.60 107.32 102.27 3hx5 s GLY 75 Ca 0.00 -0.66 0.01 0.00 0.00 0.00 0.00 44.72 44.07 3hx5 s GLY 75 CO 0.00 0.27 -0.09 0.50 0.00 0.00 0.00 173.10 173.79 3hx5 s ARG 76 N -4.94 1.34 0.28 2.90 1.81 -1.26 -4.37 118.95 114.71 3hx5 s ARG 76 Ca 0.69 -0.27 -0.29 0.00 -1.72 0.00 0.00 55.73 54.13 3hx5 s ARG 76 Cb -0.16 -1.22 -0.10 0.00 -0.45 0.00 0.00 34.95 33.02 3hx5 s ARG 76 CO 0.59 -0.06 1.39 0.00 -0.68 0.00 0.00 175.30 176.55 3hx5 s ALA 77 N 0.92 3.57 -0.15 2.13 0.00 -1.26 -4.98 121.76 121.99 3hx5 s ALA 77 Ca -0.10 1.31 -0.04 0.00 0.00 0.00 0.00 51.96 53.12 3hx5 s ALA 77 Cb -0.15 -3.53 0.05 0.00 0.00 0.00 0.00 23.12 19.50 3hx5 s ALA 77 CO 0.01 -0.72 0.08 -0.51 0.00 0.00 0.00 175.76 174.62 3hx5 s LEU 78 N -0.97 0.35 -0.02 0.00 1.43 -1.26 -5.14 118.68 113.07 3hx5 s LEU 78 Ca 0.55 -0.50 -0.09 0.00 -1.03 0.00 0.00 54.13 53.06 3hx5 s LEU 78 Cb -0.41 -0.24 -0.05 0.00 0.03 0.00 0.00 46.19 45.52 3hx5 s LEU 78 CO 0.48 -0.33 0.28 -0.36 0.23 0.00 0.00 176.35 176.65 3hx5 s PHE 79 N 2.13 3.62 0.44 0.29 0.08 -1.26 -4.86 117.98 118.42 3hx5 s PHE 79 Ca 0.02 0.67 0.05 0.00 0.12 0.00 0.00 56.93 57.80 3hx5 s PHE 79 Cb -0.15 -2.06 -0.06 0.00 -0.57 0.00 0.00 43.02 40.18 3hx5 s PHE 79 CO -0.08 0.64 0.03 -0.65 -0.10 0.00 0.00 175.22 175.06 3hx5 s GLN 80 N -1.45 2.05 0.77 0.44 -1.52 -1.26 -5.12 119.66 113.58 3hx5 s GLN 80 Ca 0.24 -2.17 -0.15 0.00 -1.95 0.00 0.00 55.36 51.33 3hx5 s GLN 80 Cb -0.14 -1.64 0.05 0.00 -0.22 0.00 0.00 33.01 31.06 3hx5 s GLN 80 CO 0.13 -0.15 1.07 -0.25 -0.25 0.00 0.00 175.29 175.84 3hx5 n ASP 81 N -1.08 0.71 -4.19 5.90 10.43 -1.26 -4.98 116.55 122.07 3hx5 n ASP 81 Ca -0.09 0.62 -0.37 0.00 2.57 0.00 0.00 54.79 57.52 3hx5 n ASP 81 Cb 0.67 -1.46 -0.12 0.00 1.84 0.00 0.00 41.12 42.05 3hx5 n ASP 81 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3hx5 s ILE 82 N -1.98 3.41 0.46 0.53 1.01 -1.26 -5.06 121.20 118.32 3hx5 s ILE 82 Ca 0.73 -1.53 -0.24 0.00 0.00 0.00 0.00 60.65 59.60 3hx5 s ILE 82 Cb -0.31 -3.09 -0.07 0.00 0.01 0.00 0.00 42.46 39.00 3hx5 s ILE 82 CO 0.51 -0.35 1.34 -0.54 0.00 0.00 0.00 174.94 175.90 3hx5 s LYS 83 N 1.27 3.66 0.88 2.79 1.02 -1.26 -4.98 119.74 123.11 3hx5 s LYS 83 Ca 0.01 2.22 -0.10 0.00 0.02 0.00 0.00 55.97 58.12 3hx5 s LYS 83 Cb -0.21 -2.57 0.12 0.00 -0.52 0.00 0.00 37.83 34.65 3hx5 s LYS 83 CO -0.01 -0.77 1.12 -1.59 -0.92 0.00 0.00 175.35 173.18 3hx5 s LYS 84 N -2.52 1.38 0.79 1.68 -2.85 -1.26 -4.90 119.74 112.06 3hx5 s LYS 84 Ca 0.62 1.32 -0.13 0.00 -1.00 0.00 0.00 55.97 56.78 3hx5 s LYS 84 Cb -0.40 -1.78 0.07 0.00 -2.06 0.00 0.00 37.83 33.66 3hx5 s LYS 84 CO 0.50 -2.31 1.19 -2.14 0.10 0.00 0.00 175.35 172.69 3hx5 s PRO 85 N -4.75 1.77 0.59 1.78 0.02 -1.26 -4.89 135.00 128.25 3hx5 s PRO 85 Ca 0.65 1.70 0.29 0.00 0.02 0.00 0.00 61.00 63.66 3hx5 s PRO 85 Cb -0.20 -1.80 1.70 0.00 0.02 0.00 0.00 34.50 34.22 3hx5 s PRO 85 CO 0.58 -2.11 2.15 0.00 -0.33 0.00 0.00 177.00 177.28 3hx5 h ALA 86 N -0.82 1.72 -2.23 -1.55 0.00 -1.97 -3.44 119.26 110.97 3hx5 h ALA 86 Ca -0.46 -0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.07 3hx5 h ALA 86 Cb 1.29 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.95 3hx5 h ALA 86 CO 0.47 -0.21 -0.63 -1.21 0.00 0.00 0.00 179.25 177.67 3hx5 s GLU 87 N -4.64 1.39 -0.14 0.00 0.41 -1.26 -5.04 118.70 109.42 3hx5 s GLU 87 Ca -0.05 -1.73 0.06 0.00 -0.41 0.00 0.00 54.97 52.84 3hx5 s GLU 87 Cb 0.15 -0.49 -0.12 0.00 -1.78 0.00 0.00 34.13 31.89 3hx5 s GLU 87 CO 0.55 -0.19 -0.05 -0.25 -0.49 0.00 0.00 175.26 174.83 3hx5 n ASP 88 N -0.46 2.41 -4.22 -0.19 8.00 -1.26 -4.97 116.55 115.86 3hx5 n ASP 88 Ca -0.03 -0.04 -0.26 0.00 0.71 0.00 0.00 54.79 55.17 3hx5 n ASP 88 Cb 0.65 0.26 -0.15 0.00 -0.02 0.00 0.00 41.12 41.86 3hx5 n ASP 88 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hx5 s GLU 89 N -2.30 1.54 -0.24 -1.24 2.02 -1.26 -5.00 118.70 112.22 3hx5 s GLU 89 Ca -0.14 -0.78 0.10 0.00 0.02 0.00 0.00 54.97 54.18 3hx5 s GLU 89 Cb 0.05 -1.54 0.45 0.00 0.10 0.00 0.00 34.13 33.18 3hx5 s GLU 89 CO 0.43 0.41 1.31 0.91 0.02 0.00 0.00 175.26 178.34 3hx5 n TRP 90 N 2.36 0.39 -0.89 1.61 7.02 -1.26 -5.09 117.44 121.58 3hx5 n TRP 90 Ca -0.16 -1.52 0.00 0.00 -1.02 0.00 0.00 57.50 54.80 3hx5 n TRP 90 Cb 0.53 -0.33 0.00 0.00 -2.42 0.00 0.00 31.31 29.09 3hx5 n TRP 90 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3hx5 n GLY 91 N -1.13 3.27 4.02 6.99 0.00 -1.26 -3.58 105.19 113.51 3hx5 n GLY 91 Ca 0.24 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 3hx5 n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hx5 s LYS 92 N 0.00 2.56 0.21 1.61 1.02 -1.26 -4.94 119.74 118.95 3hx5 s LYS 92 Ca 0.00 -1.37 -0.09 0.00 0.02 0.00 0.00 55.97 54.53 3hx5 s LYS 92 Cb 0.00 -2.69 0.31 0.00 -0.52 0.00 0.00 37.83 34.93 3hx5 s LYS 92 CO 0.00 -0.57 1.74 1.15 -0.92 0.00 0.00 175.35 176.75 3hx5 h THR 93 N 0.38 0.75 -0.31 2.17 2.02 -2.00 -2.34 112.91 113.59 3hx5 h THR 93 Ca -0.36 -0.14 0.03 0.00 0.77 0.00 0.00 66.41 66.71 3hx5 h THR 93 Cb 1.28 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.96 3hx5 h THR 93 CO 0.43 0.08 0.12 -0.65 0.37 0.00 0.00 175.52 175.87 3hx5 h PRO 94 N 0.42 0.26 -0.32 6.66 0.11 -1.94 -0.73 132.00 136.46 3hx5 h PRO 94 Ca 0.32 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 66.46 3hx5 h PRO 94 Cb 0.42 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.42 3hx5 h PRO 94 CO -0.32 0.17 0.06 -0.44 -0.21 0.00 0.00 178.00 177.26 3hx5 h ASP 95 N 0.27 0.01 0.02 -2.05 3.45 -1.77 -1.47 116.42 114.88 3hx5 h ASP 95 Ca 0.13 0.05 -0.10 0.00 0.43 0.00 0.00 57.03 57.54 3hx5 h ASP 95 Cb 0.08 0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 38.91 3hx5 h ASP 95 CO -0.12 0.04 -0.31 0.00 -1.57 0.00 0.00 179.24 177.28 3hx5 h ALA 96 N 1.24 1.07 -0.46 3.45 0.00 -1.26 -2.52 119.26 120.77 3hx5 h ALA 96 Ca 0.15 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 3hx5 h ALA 96 Cb 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3hx5 h ALA 96 CO -0.20 0.58 -0.13 1.98 0.00 0.00 0.00 179.25 181.48 3hx5 h MET 97 N 0.37 0.85 -0.38 0.00 -1.53 -0.61 -1.01 114.93 112.63 3hx5 h MET 97 Ca 0.05 -0.30 -0.03 0.00 -3.44 0.00 0.00 59.70 55.98 3hx5 h MET 97 Cb 0.74 -0.06 -0.02 0.00 -0.55 0.00 0.00 31.60 31.71 3hx5 h MET 97 CO 0.06 0.93 0.12 0.87 0.14 0.00 0.00 176.91 179.03 3hx5 h LYS 98 N 0.76 0.58 -0.71 0.39 1.57 -1.04 0.73 116.57 118.86 3hx5 h LYS 98 Ca 0.12 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hx5 h LYS 98 Cb 0.64 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 3hx5 h LYS 98 CO 0.04 0.59 0.44 0.00 -0.57 0.00 0.00 179.45 179.95 3hx5 h ALA 99 N 0.97 1.43 -0.43 3.86 0.00 -1.24 1.00 119.26 124.84 3hx5 h ALA 99 Ca 0.12 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 3hx5 h ALA 99 Cb 0.25 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3hx5 h ALA 99 CO -0.00 0.50 -0.26 0.00 0.00 0.00 0.00 179.25 179.48 3hx5 h ALA 100 N 1.51 0.71 -0.14 0.00 0.00 -0.68 -1.85 119.26 118.81 3hx5 h ALA 100 Ca 0.26 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hx5 h ALA 100 Cb -0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3hx5 h ALA 100 CO -0.05 0.67 0.08 1.98 0.00 0.00 0.00 179.25 181.93 3hx5 h MET 101 N 0.79 0.17 0.53 0.00 -1.53 0.18 -1.91 114.93 113.15 3hx5 h MET 101 Ca 0.09 -0.01 -0.02 0.00 -3.44 0.00 0.00 59.70 56.33 3hx5 h MET 101 Cb 0.83 -0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 31.83 3hx5 h MET 101 CO 0.07 0.11 -0.34 0.00 0.14 0.00 0.00 176.91 176.89 3hx5 h ALA 102 N 1.06 -0.85 -0.94 0.39 0.00 -0.71 -1.76 119.26 116.45 3hx5 h ALA 102 Ca 0.05 -0.16 0.20 0.00 0.00 0.00 0.00 54.91 55.00 3hx5 h ALA 102 Cb -0.01 0.43 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 3hx5 h ALA 102 CO -0.02 -1.00 0.61 1.25 0.00 0.00 0.00 179.25 180.09 3hx5 h LEU 103 N -0.84 0.54 -0.61 0.00 5.85 -1.25 0.18 115.31 119.17 3hx5 h LEU 103 Ca -0.06 0.06 -0.15 0.00 0.84 0.00 0.00 57.88 58.57 3hx5 h LEU 103 Cb 0.69 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 3hx5 h LEU 103 CO 0.05 0.21 -0.50 -0.33 -0.34 0.00 0.00 178.44 177.53 3hx5 h GLU 104 N 0.53 0.50 -0.39 1.25 4.39 -0.98 -2.09 114.58 117.79 3hx5 h GLU 104 Ca 0.51 -0.29 -0.07 0.00 0.34 0.00 0.00 59.36 59.85 3hx5 h GLU 104 Cb 1.08 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.74 3hx5 h GLU 104 CO -0.24 0.89 -0.01 0.87 -1.16 0.00 0.00 179.01 179.35 3hx5 h LYS 105 N 0.40 0.70 -0.94 2.33 1.57 0.17 0.08 116.57 120.88 3hx5 h LYS 105 Ca 0.02 -0.23 0.02 0.00 -1.87 0.00 0.00 60.65 58.58 3hx5 h LYS 105 Cb 1.01 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.21 3hx5 h LYS 105 CO 0.09 0.80 0.62 0.87 -0.57 0.00 0.00 179.45 181.26 3hx5 h LYS 106 N 0.52 1.22 -0.30 3.15 1.57 -1.07 0.24 116.57 121.90 3hx5 h LYS 106 Ca 0.11 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.68 3hx5 h LYS 106 Cb 0.49 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3hx5 h LYS 106 CO 0.02 0.81 -0.38 -0.07 -0.57 0.00 0.00 179.45 179.26 3hx5 h LEU 107 N 1.26 0.75 -0.87 2.94 3.38 -1.16 -0.84 115.31 120.77 3hx5 h LEU 107 Ca 0.35 -0.33 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 3hx5 h LEU 107 Cb -0.12 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 3hx5 h LEU 107 CO -0.08 1.05 -0.18 -1.13 0.09 0.00 0.00 178.44 178.18 3hx5 h ASN 108 N 0.58 0.63 0.37 -0.43 -1.24 -0.08 -1.16 115.58 114.26 3hx5 h ASN 108 Ca 0.05 -0.20 -0.02 0.00 0.71 0.00 0.00 56.30 56.84 3hx5 h ASN 108 Cb 0.92 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.80 3hx5 h ASN 108 CO 0.08 0.82 -0.18 -0.61 -1.29 0.00 0.00 177.43 176.26 3hx5 h GLN 109 N 0.57 -0.48 -0.41 6.67 5.75 -0.26 -0.94 115.11 126.01 3hx5 h GLN 109 Ca 0.09 0.03 0.12 0.00 -0.15 0.00 0.00 58.65 58.74 3hx5 h GLN 109 Cb 0.63 0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.27 3hx5 h GLN 109 CO 0.04 -0.19 0.30 0.00 -2.65 0.00 0.00 178.83 176.33 3hx5 h ALA 110 N -0.28 2.38 -0.18 3.38 0.00 -1.06 0.75 119.26 124.25 3hx5 h ALA 110 Ca -0.05 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.64 3hx5 h ALA 110 Cb 0.52 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.35 3hx5 h ALA 110 CO 0.08 -0.49 -0.69 -0.07 0.00 0.00 0.00 179.25 178.08 3hx5 h LEU 111 N 0.01 0.92 -0.42 0.00 3.38 -0.97 -2.45 115.31 115.78 3hx5 h LEU 111 Ca 0.20 -0.61 -0.09 0.00 0.09 0.00 0.00 57.88 57.47 3hx5 h LEU 111 Cb 0.77 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3hx5 h LEU 111 CO -0.00 1.37 -0.09 -0.07 0.09 0.00 0.00 178.44 179.74 3hx5 h LEU 112 N 0.52 0.81 -0.03 1.67 3.38 0.44 -1.01 115.31 121.08 3hx5 h LEU 112 Ca -0.04 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.59 3hx5 h LEU 112 Cb 1.32 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 3hx5 h LEU 112 CO 0.15 0.97 -0.05 0.44 0.09 0.00 0.00 178.44 180.04 3hx5 h ASP 113 N 0.63 -0.14 -0.57 -0.43 3.45 -0.98 0.00 116.42 118.37 3hx5 h ASP 113 Ca 0.11 0.03 -0.01 0.00 0.43 0.00 0.00 57.03 57.59 3hx5 h ASP 113 Cb 0.61 0.07 -0.03 0.00 -0.56 0.00 0.00 39.33 39.42 3hx5 h ASP 113 CO 0.04 -0.07 0.33 0.25 -1.57 0.00 0.00 179.24 178.22 3hx5 h LEU 114 N -0.07 0.71 -0.69 1.55 5.85 -1.35 0.18 115.31 121.49 3hx5 h LEU 114 Ca 0.03 -0.05 -0.13 0.00 0.84 0.00 0.00 57.88 58.58 3hx5 h LEU 114 Cb 0.11 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3hx5 h LEU 114 CO -0.08 0.57 -0.35 -0.74 -0.34 0.00 0.00 178.44 177.50 3hx5 h HIS 115 N 0.82 0.71 -0.17 1.25 2.76 -0.59 -1.38 115.15 118.55 3hx5 h HIS 115 Ca 0.21 -0.19 -0.03 0.00 -2.20 0.00 0.00 60.37 58.16 3hx5 h HIS 115 Cb 0.01 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 28.81 3hx5 h HIS 115 CO 0.00 0.88 -0.01 0.00 -1.30 0.00 0.00 177.93 177.51 3hx5 h ALA 116 N 1.10 0.23 -0.44 5.26 0.00 0.03 -2.36 119.26 123.08 3hx5 h ALA 116 Ca 0.05 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3hx5 h ALA 116 Cb 0.85 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3hx5 h ALA 116 CO 0.07 -0.05 0.26 1.25 0.00 0.00 0.00 179.25 180.78 3hx5 h LEU 117 N 0.05 0.52 -0.82 0.00 5.85 -0.55 -1.35 115.31 119.01 3hx5 h LEU 117 Ca 0.05 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 3hx5 h LEU 117 Cb 0.40 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3hx5 h LEU 117 CO 0.01 0.40 -0.33 1.23 -0.34 0.00 0.00 178.44 179.42 3hx5 h GLY 118 N 0.65 0.00 1.33 3.75 0.00 -1.08 -2.86 103.07 104.86 3hx5 h GLY 118 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.21 3hx5 h GLY 118 CO -0.03 0.00 -1.17 1.76 0.00 0.00 0.00 176.54 177.10 3hx5 h SER 119 N 0.00 0.78 -0.06 0.19 0.02 -0.74 0.39 113.55 114.13 3hx5 h SER 119 Ca -0.00 -0.70 -0.05 0.00 -0.84 0.00 0.00 61.79 60.20 3hx5 h SER 119 Cb 0.92 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 3hx5 h SER 119 CO 0.04 1.51 -0.09 0.00 -1.14 0.00 0.00 176.83 177.16 3hx5 h ALA 120 N 0.41 1.46 -0.44 3.77 0.00 -1.27 -0.57 119.26 122.63 3hx5 h ALA 120 Ca -0.16 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3hx5 h ALA 120 Cb 1.84 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.52 3hx5 h ALA 120 CO 0.22 0.38 0.00 0.54 0.00 0.00 0.00 179.25 180.39 3hx5 n ARG 121 N -4.28 2.21 -3.95 0.00 5.12 -1.09 -4.96 116.66 109.72 3hx5 n ARG 121 Ca 0.00 -1.87 -0.42 0.00 -1.93 0.00 0.00 57.85 53.64 3hx5 n ARG 121 Cb 0.26 -1.44 0.03 0.00 -1.16 0.00 0.00 32.46 30.15 3hx5 n ARG 121 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3hx5 n THR 122 N 1.04 -3.72 -3.63 0.55 -2.24 -0.22 -4.93 114.28 101.12 3hx5 n THR 122 Ca 0.18 -0.69 -0.38 0.00 -2.27 0.00 0.00 64.05 60.90 3hx5 n THR 122 Cb 0.47 -2.95 -0.07 0.00 -2.10 0.00 0.00 70.33 65.67 3hx5 n THR 122 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hx5 s ASP 123 N -3.48 5.73 0.36 3.42 2.15 0.14 -4.95 116.67 120.04 3hx5 s ASP 123 Ca 0.47 -3.17 0.08 0.00 0.43 0.00 0.00 52.55 50.36 3hx5 s ASP 123 Cb -0.23 -1.93 0.79 0.00 -0.30 0.00 0.00 42.92 41.25 3hx5 s ASP 123 CO 0.94 -0.32 1.92 1.55 -0.17 0.00 0.00 175.17 179.09 3hx5 h PRO 124 N 6.74 0.69 0.48 4.34 0.13 -1.92 -2.87 132.00 139.59 3hx5 h PRO 124 Ca 0.07 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.13 3hx5 h PRO 124 Cb 0.91 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3hx5 h PRO 124 CO 0.77 0.46 -0.23 1.25 -0.23 0.00 0.00 178.00 180.01 3hx5 h HIS 125 N 0.71 -0.60 -0.47 1.56 2.76 -1.96 0.07 115.15 117.22 3hx5 h HIS 125 Ca 0.37 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.59 3hx5 h HIS 125 Cb 0.47 0.20 -0.03 0.00 1.55 0.00 0.00 27.41 29.61 3hx5 h HIS 125 CO -0.00 -0.32 0.31 1.25 -1.30 0.00 0.00 177.93 177.88 3hx5 h LEU 126 N -0.78 0.29 0.74 0.26 5.85 -1.93 0.25 115.31 119.99 3hx5 h LEU 126 Ca -0.07 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 3hx5 h LEU 126 Cb 0.56 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.53 3hx5 h LEU 126 CO 0.11 0.19 -0.36 0.00 -0.34 0.00 0.00 178.44 178.04 3hx5 h ASP 128 N -1.19 -0.12 -0.81 0.00 3.58 -0.33 -0.09 116.42 117.46 3hx5 h ASP 128 Ca -0.10 0.09 0.16 0.00 0.42 0.00 0.00 57.03 57.60 3hx5 h ASP 128 Cb 0.78 0.15 -0.06 0.00 1.72 0.00 0.00 39.33 41.93 3hx5 h ASP 128 CO 0.17 -0.03 0.54 0.15 -2.88 0.00 0.00 179.24 177.19 3hx5 h PHE 129 N 0.14 0.55 0.10 0.28 3.04 -0.53 -0.16 116.94 120.36 3hx5 h PHE 129 Ca 0.22 0.02 -0.29 0.00 3.98 0.00 0.00 57.97 61.89 3hx5 h PHE 129 Cb 0.30 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 38.63 3hx5 h PHE 129 CO -0.26 0.19 -1.44 -0.07 -2.02 0.00 0.00 178.31 174.71 3hx5 h LEU 130 N 0.45 0.32 0.15 0.59 3.38 -0.64 -2.98 115.31 116.59 3hx5 h LEU 130 Ca 0.41 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3hx5 h LEU 130 Cb 0.91 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.56 3hx5 h LEU 130 CO -0.15 1.35 -0.07 -0.33 0.09 0.00 0.00 178.44 179.33 3hx5 h GLU 131 N 0.06 -0.20 0.27 1.13 5.08 -0.08 0.35 114.58 121.18 3hx5 h GLU 131 Ca -0.20 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 3hx5 h GLU 131 Cb 1.98 0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.28 3hx5 h GLU 131 CO 0.16 -0.12 -0.13 1.15 -1.00 0.00 0.00 179.01 179.06 3hx5 h THR 132 N -0.22 0.73 -0.11 1.13 2.02 -1.20 -3.35 112.91 111.92 3hx5 h THR 132 Ca -0.02 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.45 3hx5 h THR 132 Cb 0.17 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 3hx5 h THR 132 CO 0.03 0.14 0.00 1.41 0.37 0.00 0.00 175.52 177.47 3hx5 n HIS 133 N -5.09 0.11 0.00 3.16 8.25 -1.12 -4.81 115.22 115.72 3hx5 n HIS 133 Ca -0.09 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 3hx5 n HIS 133 Cb 0.26 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.37 3hx5 n HIS 133 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3hx5 n PHE 134 N 1.32 0.00 0.07 4.41 3.72 -0.86 -4.80 117.46 121.33 3hx5 n PHE 134 Ca 0.14 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.47 3hx5 n PHE 134 Cb 0.58 0.31 -0.04 0.00 -0.94 0.00 0.00 39.48 39.39 3hx5 n PHE 134 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3hx5 h LEU 135 N 0.00 -0.64 -0.93 4.37 3.38 -1.08 -1.96 115.31 118.46 3hx5 h LEU 135 Ca 0.00 0.06 0.15 0.00 0.09 0.00 0.00 57.88 58.18 3hx5 h LEU 135 Cb 0.35 0.23 -0.09 0.00 0.09 0.00 0.00 40.66 41.23 3hx5 h LEU 135 CO 0.00 -0.25 0.54 -0.78 0.09 0.00 0.00 178.44 178.04 3hx5 h ASP 136 N -0.35 0.71 -0.28 -0.43 -0.00 -1.84 -0.55 116.42 113.68 3hx5 h ASP 136 Ca -0.01 0.08 -0.02 0.00 -0.00 0.00 0.00 57.03 57.08 3hx5 h ASP 136 Cb 0.33 -0.05 -0.02 0.00 -0.00 0.00 0.00 39.33 39.60 3hx5 h ASP 136 CO -0.09 0.32 0.11 -0.33 -0.00 0.00 0.00 179.24 179.25 3hx5 h GLU 137 N 0.77 0.48 -0.12 0.28 4.39 -1.83 -1.93 114.58 116.62 3hx5 h GLU 137 Ca 0.50 -0.06 -0.23 0.00 0.34 0.00 0.00 59.36 59.90 3hx5 h GLU 137 Cb 0.66 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 29.23 3hx5 h GLU 137 CO -0.34 0.42 -0.83 0.93 -1.16 0.00 0.00 179.01 178.04 3hx5 h GLU 138 N 0.48 0.77 -0.08 2.33 4.39 -0.32 -2.34 114.58 119.80 3hx5 h GLU 138 Ca 0.12 -0.67 -0.01 0.00 0.34 0.00 0.00 59.36 59.14 3hx5 h GLU 138 Cb 0.14 0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 3hx5 h GLU 138 CO -0.01 1.27 0.03 0.28 -1.16 0.00 0.00 179.01 179.42 3hx5 h VAL 139 N 0.49 1.15 -0.67 3.13 2.07 -1.17 -1.45 116.25 119.80 3hx5 h VAL 139 Ca -0.07 -0.44 0.04 0.00 0.82 0.00 0.00 66.70 67.05 3hx5 h VAL 139 Cb 1.46 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 32.48 3hx5 h VAL 139 CO 0.17 0.13 0.39 0.11 0.02 0.00 0.00 177.57 178.39 3hx5 h LYS 140 N -0.03 0.73 -0.32 1.57 1.57 -1.41 -0.85 116.57 117.83 3hx5 h LYS 140 Ca 0.03 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 3hx5 h LYS 140 Cb 0.18 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3hx5 h LYS 140 CO -0.00 0.48 -0.14 1.25 -0.57 0.00 0.00 179.45 180.47 3hx5 h LEU 141 N 0.75 0.54 -0.20 2.94 5.85 -1.26 -0.68 115.31 123.24 3hx5 h LEU 141 Ca 0.28 -0.15 -0.18 0.00 0.84 0.00 0.00 57.88 58.68 3hx5 h LEU 141 Cb 0.11 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.00 3hx5 h LEU 141 CO -0.14 0.71 -0.57 0.40 -0.34 0.00 0.00 178.44 178.50 3hx5 h ILE 142 N 0.50 1.30 -0.52 4.05 2.04 -0.67 -1.12 117.51 123.09 3hx5 h ILE 142 Ca 0.09 -1.78 0.03 0.00 1.00 0.00 0.00 64.86 64.19 3hx5 h ILE 142 Cb 0.54 1.86 -0.04 0.00 -0.74 0.00 0.00 36.82 38.45 3hx5 h ILE 142 CO 0.03 0.56 0.30 0.50 0.00 0.00 0.00 178.15 179.55 3hx5 h LYS 143 N 0.47 0.58 -0.51 2.37 1.63 -0.96 0.30 116.57 120.44 3hx5 h LYS 143 Ca -0.01 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 3hx5 h LYS 143 Cb 1.19 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.66 3hx5 h LYS 143 CO 0.12 0.39 0.33 -0.22 -3.45 0.00 0.00 179.45 176.61 3hx5 h LYS 144 N 0.60 0.67 0.00 1.90 3.64 -1.01 0.53 116.57 122.91 3hx5 h LYS 144 Ca 0.21 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 3hx5 h LYS 144 Cb 0.04 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3hx5 h LYS 144 CO -0.10 0.46 -0.21 0.52 -2.27 0.00 0.00 179.45 177.85 3hx5 h MET 145 N 0.68 0.00 0.09 1.90 2.86 -0.62 -2.34 114.93 117.51 3hx5 h MET 145 Ca 0.18 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.82 3hx5 h MET 145 Cb -0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.60 3hx5 h MET 145 CO -0.04 0.21 -0.04 0.78 1.06 0.00 0.00 176.91 178.88 3hx5 h GLY 146 N 1.91 -0.13 0.25 8.32 0.00 0.12 -2.04 103.07 111.50 3hx5 h GLY 146 Ca -0.00 0.05 0.06 0.00 0.00 0.00 0.00 47.33 47.43 3hx5 h GLY 146 CO 0.03 -0.05 -0.18 -0.55 0.00 0.00 0.00 176.54 175.79 3hx5 h ASP 147 N -0.61 -0.59 -0.51 0.19 3.32 -0.82 -1.58 116.42 115.82 3hx5 h ASP 147 Ca -0.01 0.12 0.09 0.00 0.02 0.00 0.00 57.03 57.25 3hx5 h ASP 147 Cb 0.50 0.30 -0.07 0.00 0.22 0.00 0.00 39.33 40.27 3hx5 h ASP 147 CO 0.02 -0.22 0.08 0.45 -1.72 0.00 0.00 179.24 177.85 3hx5 h HIS 148 N -0.17 0.11 -1.00 4.55 3.86 -1.45 -0.76 115.15 120.29 3hx5 h HIS 148 Ca 0.14 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.42 3hx5 h HIS 148 Cb 0.38 0.03 -0.06 0.00 1.06 0.00 0.00 27.41 28.82 3hx5 h HIS 148 CO -0.35 -0.04 0.65 -0.07 0.86 0.00 0.00 177.93 178.99 3hx5 h LEU 149 N 0.20 1.08 0.15 2.43 3.38 -0.56 0.29 115.31 122.28 3hx5 h LEU 149 Ca 0.26 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 3hx5 h LEU 149 Cb 0.37 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3hx5 h LEU 149 CO -0.36 0.73 -0.07 0.74 0.09 0.00 0.00 178.44 179.56 3hx5 h THR 150 N 1.24 0.95 -0.96 0.22 2.02 -0.38 -1.39 112.91 114.61 3hx5 h THR 150 Ca 0.41 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 67.15 3hx5 h THR 150 Cb 0.04 1.22 -0.05 0.00 -1.74 0.00 0.00 68.15 67.62 3hx5 h THR 150 CO -0.14 0.10 0.61 0.78 0.37 0.00 0.00 175.52 177.25 3hx5 h ASN 151 N -0.42 1.12 -0.07 4.18 2.35 -0.64 0.29 115.58 122.40 3hx5 h ASN 151 Ca -0.02 -0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.60 3hx5 h ASN 151 Cb 0.33 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3hx5 h ASN 151 CO 0.03 0.83 -0.21 -0.07 -1.65 0.00 0.00 177.43 176.36 3hx5 h LEU 152 N 1.31 0.46 -0.32 1.61 3.38 -0.33 -2.03 115.31 119.38 3hx5 h LEU 152 Ca 0.35 -0.14 -0.19 0.00 0.09 0.00 0.00 57.88 57.99 3hx5 h LEU 152 Cb -0.12 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.51 3hx5 h LEU 152 CO -0.07 0.68 -0.59 -0.74 0.09 0.00 0.00 178.44 177.81 3hx5 h HIS 153 N 0.42 1.01 -0.42 1.13 2.76 -0.54 -3.18 115.15 116.33 3hx5 h HIS 153 Ca 0.07 -0.38 -0.01 0.00 -2.20 0.00 0.00 60.37 57.85 3hx5 h HIS 153 Cb 0.61 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.36 3hx5 h HIS 153 CO 0.02 1.19 0.20 -0.09 -1.30 0.00 0.00 177.93 177.95 3hx5 h ARG 154 N 0.60 0.58 -0.17 5.26 2.43 -0.51 -3.10 114.38 119.47 3hx5 h ARG 154 Ca 0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3hx5 h ARG 154 Cb 1.19 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 3hx5 h ARG 154 CO 0.13 0.45 0.00 1.28 -1.51 0.00 0.00 179.97 180.32 3hx5 n LEU 155 N -4.40 0.17 -0.02 3.80 4.77 -0.81 -3.84 117.00 116.67 3hx5 n LEU 155 Ca 0.03 -0.08 -0.00 0.00 -0.03 0.00 0.00 56.01 55.93 3hx5 n LEU 155 Cb 0.12 -0.08 -0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3hx5 n LEU 155 CO 0.37 0.04 -0.01 1.23 -1.33 0.00 0.00 177.39 177.69 3hx5 h GLY 156 N 1.84 0.00 0.00 -0.72 0.00 -1.76 -3.48 103.07 98.94 3hx5 h GLY 156 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hx5 h GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3hx5 n GLY 157 N 1.92 1.13 0.37 4.60 0.00 -1.25 -5.02 105.19 106.93 3hx5 n GLY 157 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3hx5 n GLY 157 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hx5 h PRO 158 N 0.00 -0.47 -1.48 1.61 0.13 -1.96 -3.27 132.00 126.56 3hx5 h PRO 158 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 3hx5 h PRO 158 Cb 0.00 0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.24 3hx5 h PRO 158 CO 0.00 -0.31 0.00 0.39 -0.23 0.00 0.00 178.00 177.85 3hx5 n GLU 159 N -4.78 0.23 0.00 0.86 1.02 -1.26 -4.40 120.64 112.31 3hx5 n GLU 159 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 3hx5 n GLU 159 Cb 0.30 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 3hx5 n GLU 159 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hx5 n ALA 160 N 0.79 1.60 -3.03 0.62 0.00 -1.23 -4.39 120.51 114.88 3hx5 n ALA 160 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 3hx5 n ALA 160 Cb 0.10 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.45 3hx5 n ALA 160 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hx5 s GLY 161 N -1.87 1.96 0.00 0.00 0.00 -1.26 -5.05 107.32 101.09 3hx5 s GLY 161 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 44.72 42.78 3hx5 s GLY 161 CO 0.00 0.92 0.00 1.04 0.00 0.00 0.00 173.10 175.06 3hx5 n LEU 162 N 4.98 0.00 -4.56 0.66 4.77 -1.26 -4.85 117.00 116.75 3hx5 n LEU 162 Ca -0.11 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.63 3hx5 n LEU 162 Cb 0.44 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.48 3hx5 n LEU 162 CO 0.39 0.00 1.47 -0.83 -1.33 0.00 0.00 177.39 177.08 3hx5 s GLY 163 N 0.00 -0.42 0.00 -0.72 0.00 -1.26 -5.24 107.32 99.68 3hx5 s GLY 163 Ca 0.00 -0.75 0.21 0.00 0.00 0.00 0.00 44.72 44.19 3hx5 s GLY 163 CO 0.00 3.97 1.66 1.18 0.00 0.00 0.00 173.10 179.91