#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx5 s SER 3 N 0.00 5.40 -0.10 6.43 0.15 -1.26 -5.06 113.70 119.26 3hx5 s SER 3 Ca 0.00 -0.08 -0.15 0.00 0.70 0.00 0.00 55.95 56.42 3hx5 s SER 3 Cb 0.00 -1.40 -0.13 0.00 -1.71 0.00 0.00 66.02 62.78 3hx5 s SER 3 CO 0.00 0.15 0.48 1.56 1.20 0.00 0.00 173.24 176.64 3hx5 h GLN 4 N 3.17 -0.07 0.00 5.44 4.20 -1.99 -3.37 115.11 122.49 3hx5 h GLN 4 Ca -0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.24 3hx5 h GLN 4 Cb 1.17 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.97 3hx5 h GLN 4 CO 0.64 0.37 0.00 0.44 -0.67 0.00 0.00 178.83 179.61 3hx5 n ILE 5 N -4.77 1.10 -1.64 2.54 -5.35 -1.26 -4.88 119.36 105.10 3hx5 n ILE 5 Ca -0.05 0.28 -0.50 0.00 -0.27 0.00 0.00 62.75 62.20 3hx5 n ILE 5 Cb 0.23 -1.08 -0.05 0.00 -1.74 0.00 0.00 39.64 36.99 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 -1.45 1.79 -3.40 6.28 0.63 -1.26 -4.81 116.66 114.44 3hx5 n ARG 6 Ca 0.03 0.63 -0.05 0.00 -0.92 0.00 0.00 57.85 57.54 3hx5 n ARG 6 Cb 0.12 -2.55 -0.06 0.00 0.45 0.00 0.00 32.46 30.42 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 4.50 0.42 -1.10 -0.14 0.74 -1.26 -4.91 119.66 117.91 3hx5 s GLN 7 Ca 0.97 0.86 -0.07 0.00 0.05 0.00 0.00 55.36 57.17 3hx5 s GLN 7 Cb -0.77 0.09 0.01 0.00 1.10 0.00 0.00 33.01 33.44 3hx5 s GLN 7 CO 0.53 -0.50 0.94 -1.71 -0.55 0.00 0.00 175.29 174.00 3hx5 n ASN 8 N 5.39 -5.53 -3.80 6.67 5.15 -1.26 -4.99 115.26 116.89 3hx5 n ASN 8 Ca -0.05 -0.43 -0.30 0.00 -0.60 0.00 0.00 54.58 53.21 3hx5 n ASN 8 Cb 0.50 -4.14 -0.14 0.00 -0.53 0.00 0.00 39.78 35.47 3hx5 n ASN 8 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3hx5 s TYR 9 N -3.25 2.39 0.57 1.20 5.04 -1.26 -4.83 117.35 117.21 3hx5 s TYR 9 Ca 0.47 -2.56 -0.21 0.00 -2.44 0.00 0.00 57.07 52.33 3hx5 s TYR 9 Cb -0.21 -2.18 -0.04 0.00 0.35 0.00 0.00 41.96 39.88 3hx5 s TYR 9 CO 0.58 -0.80 1.30 -1.13 -1.34 0.00 0.00 175.55 174.16 3hx5 n SER 10 N 3.70 2.36 0.26 4.32 3.41 -1.26 -4.87 113.62 121.54 3hx5 n SER 10 Ca 0.06 0.93 0.12 0.00 -0.26 0.00 0.00 58.87 59.72 3hx5 n SER 10 Cb 0.36 -1.55 0.69 0.00 -0.26 0.00 0.00 64.21 63.44 3hx5 n SER 10 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3hx5 h THR 11 N 1.15 0.59 0.06 6.66 1.35 -1.99 -1.80 112.91 118.93 3hx5 h THR 11 Ca -0.50 -0.61 -0.00 0.00 -0.55 0.00 0.00 66.41 64.74 3hx5 h THR 11 Cb 1.32 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 3hx5 h THR 11 CO 0.56 0.13 -0.03 0.44 -0.25 0.00 0.00 175.52 176.37 3hx5 h ASP 12 N 0.00 -0.07 -0.19 5.36 3.45 -1.99 0.40 116.42 123.38 3hx5 h ASP 12 Ca -0.00 -0.11 -0.07 0.00 0.43 0.00 0.00 57.03 57.28 3hx5 h ASP 12 Cb 0.38 0.02 -0.02 0.00 -0.56 0.00 0.00 39.33 39.15 3hx5 h ASP 12 CO 0.02 0.07 -0.11 0.58 -1.57 0.00 0.00 179.24 178.23 3hx5 h VAL 13 N -0.20 1.24 0.16 -1.35 2.07 -1.83 0.35 116.25 116.70 3hx5 h VAL 13 Ca -0.01 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 3hx5 h VAL 13 Cb 0.17 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3hx5 h VAL 13 CO 0.01 0.34 -0.09 -0.08 0.02 0.00 0.00 177.57 177.78 3hx5 h GLU 14 N 0.52 -0.23 0.70 1.57 4.81 -0.93 -0.74 114.58 120.27 3hx5 h GLU 14 Ca 0.10 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 3hx5 h GLU 14 Cb 0.50 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 3hx5 h GLU 14 CO 0.03 -0.15 -0.51 0.00 -0.73 0.00 0.00 179.01 177.65 3hx5 h ALA 15 N 0.60 -1.24 -0.57 2.92 0.00 -0.59 -1.63 119.26 118.75 3hx5 h ALA 15 Ca -0.02 -0.23 0.16 0.00 0.00 0.00 0.00 54.91 54.82 3hx5 h ALA 15 Cb 0.19 0.66 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3hx5 h ALA 15 CO 0.02 -1.22 0.47 0.00 0.00 0.00 0.00 179.25 178.52 3hx5 h ALA 16 N -1.07 2.43 0.06 0.00 0.00 -0.90 -0.05 119.26 119.72 3hx5 h ALA 16 Ca -0.09 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.53 3hx5 h ALA 16 Cb 0.95 0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.79 3hx5 h ALA 16 CO 0.04 -0.76 -1.11 0.28 0.00 0.00 0.00 179.25 177.71 3hx5 h VAL 17 N 0.00 1.35 -0.48 0.00 2.07 -0.58 -1.87 116.25 116.74 3hx5 h VAL 17 Ca 0.27 -2.49 -0.08 0.00 0.82 0.00 0.00 66.70 65.22 3hx5 h VAL 17 Cb 1.20 2.57 -0.02 0.00 -1.52 0.00 0.00 31.29 33.52 3hx5 h VAL 17 CO -0.00 0.75 -0.02 0.78 0.02 0.00 0.00 177.57 179.10 3hx5 h ASN 18 N 0.26 0.84 -0.05 0.57 2.35 -0.18 -1.51 115.58 117.86 3hx5 h ASN 18 Ca -0.14 -0.32 0.01 0.00 -0.55 0.00 0.00 56.30 55.31 3hx5 h ASN 18 Cb 1.77 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.90 3hx5 h ASN 18 CO 0.20 0.95 -0.03 -1.28 -1.65 0.00 0.00 177.43 175.63 3hx5 h SER 19 N 0.70 -0.08 0.14 5.81 0.87 -1.12 -1.15 113.55 118.72 3hx5 h SER 19 Ca 0.13 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 3hx5 h SER 19 Cb 0.53 0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.54 3hx5 h SER 19 CO 0.03 -0.04 -0.03 0.25 -0.53 0.00 0.00 176.83 176.51 3hx5 h LEU 20 N -0.02 0.00 -0.46 2.23 5.85 -1.20 -0.63 115.31 121.08 3hx5 h LEU 20 Ca 0.03 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.58 3hx5 h LEU 20 Cb 0.07 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 3hx5 h LEU 20 CO -0.07 0.03 -0.62 0.58 -0.34 0.00 0.00 178.44 178.03 3hx5 h VAL 21 N 0.00 1.33 -0.06 1.05 2.07 -0.15 -1.64 116.25 118.85 3hx5 h VAL 21 Ca -0.00 -1.90 -0.02 0.00 0.82 0.00 0.00 66.70 65.60 3hx5 h VAL 21 Cb 0.11 1.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.76 3hx5 h VAL 21 CO 0.00 0.59 -0.04 -1.13 0.02 0.00 0.00 177.57 177.01 3hx5 h ASN 22 N 0.40 0.14 -0.91 0.57 -0.73 -0.58 -1.15 115.58 113.33 3hx5 h ASN 22 Ca -0.01 -0.46 0.16 0.00 1.87 0.00 0.00 56.30 57.87 3hx5 h ASN 22 Cb 1.18 -0.04 -0.07 0.00 0.27 0.00 0.00 38.32 39.65 3hx5 h ASN 22 CO 0.11 0.57 0.59 0.25 -0.37 0.00 0.00 177.43 178.58 3hx5 h LEU 23 N -0.29 0.61 -0.13 0.34 5.85 -1.15 0.22 115.31 120.77 3hx5 h LEU 23 Ca 0.01 0.05 -0.20 0.00 0.84 0.00 0.00 57.88 58.58 3hx5 h LEU 23 Cb 0.52 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 3hx5 h LEU 23 CO 0.01 0.28 -0.96 1.88 -0.34 0.00 0.00 178.44 179.32 3hx5 h TYR 24 N 0.63 0.09 -0.38 1.25 -1.99 -1.14 -1.67 116.97 113.75 3hx5 h TYR 24 Ca 0.47 -0.06 -0.11 0.00 2.00 0.00 0.00 58.73 61.03 3hx5 h TYR 24 Cb 0.85 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.57 3hx5 h TYR 24 CO -0.00 0.97 -0.20 -0.07 -0.00 0.00 0.00 178.16 178.86 3hx5 h LEU 25 N 0.02 0.84 0.11 3.88 3.38 0.35 -1.13 115.31 122.76 3hx5 h LEU 25 Ca -0.03 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 3hx5 h LEU 25 Cb 1.66 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.18 3hx5 h LEU 25 CO 0.13 1.06 -0.05 -0.61 0.09 0.00 0.00 178.44 179.06 3hx5 h GLN 26 N 0.61 -0.14 -0.03 1.13 4.15 -0.67 -1.31 115.11 118.86 3hx5 h GLN 26 Ca 0.08 0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.52 3hx5 h GLN 26 Cb 0.75 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.47 3hx5 h GLN 26 CO 0.06 0.00 0.02 0.00 -1.93 0.00 0.00 178.83 176.98 3hx5 h ALA 27 N 0.62 1.90 -0.29 3.38 0.00 -1.23 0.16 119.26 123.81 3hx5 h ALA 27 Ca -0.01 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 3hx5 h ALA 27 Cb 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3hx5 h ALA 27 CO 0.02 -0.03 -0.50 1.03 0.00 0.00 0.00 179.25 179.78 3hx5 h SER 28 N 0.00 0.87 0.87 0.00 0.87 -0.46 -2.88 113.55 112.82 3hx5 h SER 28 Ca 0.01 -0.44 -0.04 0.00 -1.23 0.00 0.00 61.79 60.09 3hx5 h SER 28 Cb 0.05 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.77 3hx5 h SER 28 CO -0.00 1.21 -0.47 0.22 -0.53 0.00 0.00 176.83 177.27 3hx5 h TYR 29 N 0.62 -1.22 -0.87 2.24 3.20 0.10 -2.16 116.97 118.89 3hx5 h TYR 29 Ca 0.03 -0.02 0.23 0.00 3.14 0.00 0.00 58.73 62.11 3hx5 h TYR 29 Cb 1.08 0.42 -0.14 0.00 1.54 0.00 0.00 36.73 39.63 3hx5 h TYR 29 CO 0.06 -0.72 0.23 1.15 -1.64 0.00 0.00 178.16 177.24 3hx5 h THR 30 N -1.23 0.32 0.00 1.81 2.02 -1.29 0.59 112.91 115.14 3hx5 h THR 30 Ca -0.12 -0.07 -0.08 0.00 0.77 0.00 0.00 66.41 66.91 3hx5 h THR 30 Cb 0.96 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 3hx5 h THR 30 CO 0.16 0.04 -0.37 1.88 0.37 0.00 0.00 175.52 177.60 3hx5 h TYR 31 N 0.21 0.00 0.10 3.16 0.05 -1.28 0.43 116.97 119.64 3hx5 h TYR 31 Ca 0.54 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.32 3hx5 h TYR 31 Cb 1.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.83 3hx5 h TYR 31 CO -0.27 0.37 -0.05 1.25 -1.05 0.00 0.00 178.16 178.41 3hx5 h LEU 32 N 0.00 -0.12 0.20 3.88 5.85 0.79 0.34 115.31 126.25 3hx5 h LEU 32 Ca -0.00 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.49 3hx5 h LEU 32 Cb 0.69 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 3hx5 h LEU 32 CO 0.05 0.18 -0.49 -1.28 -0.34 0.00 0.00 178.44 176.56 3hx5 h SER 33 N -0.42 -1.42 -0.53 1.25 0.87 -0.90 -1.36 113.55 111.03 3hx5 h SER 33 Ca -0.01 0.15 0.11 0.00 -1.23 0.00 0.00 61.79 60.80 3hx5 h SER 33 Cb 0.35 0.52 -0.09 0.00 -0.44 0.00 0.00 62.40 62.74 3hx5 h SER 33 CO 0.02 -0.56 -0.03 -0.07 -0.53 0.00 0.00 176.83 175.67 3hx5 h LEU 34 N -0.77 -0.28 -0.94 2.23 3.38 -0.88 -0.61 115.31 117.43 3hx5 h LEU 34 Ca -0.01 0.13 0.11 0.00 0.09 0.00 0.00 57.88 58.21 3hx5 h LEU 34 Cb 0.76 0.25 -0.08 0.00 0.09 0.00 0.00 40.66 41.67 3hx5 h LEU 34 CO -0.23 -0.10 0.57 1.23 0.09 0.00 0.00 178.44 180.00 3hx5 h GLY 35 N 0.09 1.52 1.67 0.83 0.00 0.67 -2.08 103.07 105.77 3hx5 h GLY 35 Ca 0.27 -0.38 -0.18 0.00 0.00 0.00 0.00 47.33 47.04 3hx5 h GLY 35 CO -0.47 0.14 -1.00 0.74 0.00 0.00 0.00 176.54 175.95 3hx5 h PHE 36 N 0.92 0.00 -0.89 5.60 -1.00 -0.62 -3.29 116.94 117.66 3hx5 h PHE 36 Ca 0.47 0.00 0.06 0.00 2.81 0.00 0.00 57.97 61.31 3hx5 h PHE 36 Cb 0.46 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 39.96 3hx5 h PHE 36 CO -0.03 0.74 0.58 -0.92 -1.61 0.00 0.00 178.31 177.08 3hx5 h TYR 37 N 0.00 1.04 -0.10 -0.55 3.20 -0.42 0.12 116.97 120.25 3hx5 h TYR 37 Ca -0.07 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.82 3hx5 h TYR 37 Cb 1.63 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 39.56 3hx5 h TYR 37 CO 0.00 0.55 0.00 1.19 -1.64 0.00 0.00 178.16 178.26 3hx5 n PHE 38 N -4.48 0.13 0.06 -3.82 3.72 -1.09 -2.81 117.46 109.17 3hx5 n PHE 38 Ca 0.13 -0.06 0.09 0.00 -0.05 0.00 0.00 57.45 57.56 3hx5 n PHE 38 Cb 0.18 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.58 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 -0.23 0.68 -4.65 4.37 4.64 0.40 -1.91 116.55 119.85 3hx5 n ASP 39 Ca 0.05 -0.08 -0.44 0.00 -1.38 0.00 0.00 54.79 52.93 3hx5 n ASP 39 Cb 0.09 1.80 -0.02 0.00 -1.04 0.00 0.00 41.12 41.95 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 -2.10 1.82 -0.32 -0.67 1.74 -1.11 -4.59 116.66 111.43 3hx5 n ARG 40 Ca -0.03 0.64 0.16 0.00 -0.77 0.00 0.00 57.85 57.86 3hx5 n ARG 40 Cb 0.48 -2.20 0.41 0.00 -1.02 0.00 0.00 32.46 30.13 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 3.12 0.63 -0.03 0.55 2.03 -1.93 0.43 116.42 121.21 3hx5 h ASP 41 Ca -0.44 0.08 0.00 0.00 -0.73 0.00 0.00 57.03 55.94 3hx5 h ASP 41 Cb 1.30 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.77 3hx5 h ASP 41 CO 0.68 0.21 0.00 -0.90 -1.03 0.00 0.00 179.24 178.20 3hx5 n ASP 42 N -4.67 0.20 0.00 4.15 3.85 -1.26 -3.85 116.55 114.97 3hx5 n ASP 42 Ca 0.23 -1.75 0.00 0.00 -0.71 0.00 0.00 54.79 52.55 3hx5 n ASP 42 Cb 0.66 -0.02 0.00 0.00 -1.35 0.00 0.00 41.12 40.41 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 -0.51 0.00 -4.12 2.12 0.31 0.34 -5.09 118.33 111.38 3hx5 n VAL 43 Ca 0.07 0.00 -0.45 0.00 -0.01 0.00 0.00 64.34 63.95 3hx5 n VAL 43 Cb 0.06 -1.16 0.00 0.00 -0.91 0.00 0.00 33.84 31.83 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 -2.82 -2.53 -3.81 3.52 0.00 0.12 -4.95 120.51 110.04 3hx5 n ALA 44 Ca 0.00 -0.58 -0.28 0.00 0.00 0.00 0.00 53.44 52.58 3hx5 n ALA 44 Cb 0.35 -2.33 -0.12 0.00 0.00 0.00 0.00 19.45 17.36 3hx5 n ALA 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hx5 s LEU 45 N -7.49 4.11 0.18 0.00 1.43 -0.80 -4.97 118.68 111.13 3hx5 s LEU 45 Ca 0.43 -3.61 -0.21 0.00 -1.03 0.00 0.00 54.13 49.71 3hx5 s LEU 45 Cb -0.24 -1.40 0.11 0.00 0.03 0.00 0.00 46.19 44.69 3hx5 s LEU 45 CO 0.98 -0.12 1.60 -0.08 0.23 0.00 0.00 176.35 178.97 3hx5 h GLU 46 N 5.57 -0.17 -0.10 1.70 4.81 -1.93 0.29 114.58 124.74 3hx5 h GLU 46 Ca 0.15 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.43 3hx5 h GLU 46 Cb 0.80 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.15 3hx5 h GLU 46 CO 0.65 -0.12 -0.41 0.78 -0.73 0.00 0.00 179.01 179.18 3hx5 h GLY 47 N -0.18 -0.69 2.00 1.92 0.00 -1.94 0.30 103.07 104.49 3hx5 h GLY 47 Ca 0.21 0.50 -0.01 0.00 0.00 0.00 0.00 47.33 48.04 3hx5 h GLY 47 CO -0.59 -0.23 -0.03 -2.08 0.00 0.00 0.00 176.54 173.61 3hx5 h VAL 48 N -0.50 0.99 0.13 4.60 2.07 -1.80 -0.87 116.25 120.87 3hx5 h VAL 48 Ca 0.07 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3hx5 h VAL 48 Cb 0.62 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 3hx5 h VAL 48 CO -0.37 0.03 -0.06 -1.28 0.02 0.00 0.00 177.57 175.90 3hx5 h SER 49 N 0.00 -0.15 -0.66 0.57 0.87 0.58 -2.88 113.55 111.88 3hx5 h SER 49 Ca -0.00 -0.35 0.09 0.00 -1.23 0.00 0.00 61.79 60.29 3hx5 h SER 49 Cb 0.05 0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 61.98 3hx5 h SER 49 CO 0.00 0.31 0.31 -0.74 -0.53 0.00 0.00 176.83 176.19 3hx5 h HIS 50 N -0.65 0.56 -0.19 2.24 6.17 0.17 -1.79 115.15 121.66 3hx5 h HIS 50 Ca -0.02 0.03 0.04 0.00 0.71 0.00 0.00 60.37 61.13 3hx5 h HIS 50 Cb 0.49 -0.15 -0.04 0.00 2.52 0.00 0.00 27.41 30.23 3hx5 h HIS 50 CO 0.07 0.20 -0.08 0.35 0.71 0.00 0.00 177.93 179.18 3hx5 h PHE 51 N 0.55 -0.18 0.00 5.26 3.57 -1.20 -0.96 116.94 123.98 3hx5 h PHE 51 Ca 0.32 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.80 3hx5 h PHE 51 Cb 0.33 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 3hx5 h PHE 51 CO -0.12 -0.13 -0.21 0.74 -2.23 0.00 0.00 178.31 176.36 3hx5 h PHE 52 N -0.05 0.00 -0.04 0.41 -1.00 -1.21 -2.25 116.94 112.80 3hx5 h PHE 52 Ca 0.10 0.00 -0.24 0.00 2.81 0.00 0.00 57.97 60.64 3hx5 h PHE 52 Cb 0.20 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.77 3hx5 h PHE 52 CO -0.24 0.21 -0.94 0.00 -1.61 0.00 0.00 178.31 175.73 3hx5 h ARG 53 N 0.00 0.63 -0.69 1.51 3.08 -0.56 -2.36 114.38 115.98 3hx5 h ARG 53 Ca -0.00 -0.63 -0.03 0.00 0.07 0.00 0.00 59.98 59.39 3hx5 h ARG 53 Cb 0.58 0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.77 3hx5 h ARG 53 CO 0.03 1.23 0.32 0.93 -1.07 0.00 0.00 179.97 181.41 3hx5 h GLU 54 N 0.38 1.01 0.00 0.04 5.08 -0.95 -1.46 114.58 118.69 3hx5 h GLU 54 Ca -0.09 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.06 3hx5 h GLU 54 Cb 1.58 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 3hx5 h GLU 54 CO 0.18 0.81 -0.23 -0.07 -1.00 0.00 0.00 179.01 178.70 3hx5 h LEU 55 N 0.97 0.00 -0.56 1.33 3.38 -1.37 -0.27 115.31 118.80 3hx5 h LEU 55 Ca 0.24 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.06 3hx5 h LEU 55 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3hx5 h LEU 55 CO -0.03 0.23 -0.38 0.00 0.09 0.00 0.00 178.44 178.35 3hx5 h ALA 56 N 1.77 0.74 -0.09 1.53 0.00 -0.73 -2.15 119.26 120.34 3hx5 h ALA 56 Ca -0.00 -0.44 -0.17 0.00 0.00 0.00 0.00 54.91 54.29 3hx5 h ALA 56 Cb 0.45 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3hx5 h ALA 56 CO 0.03 0.66 -0.69 1.49 0.00 0.00 0.00 179.25 180.74 3hx5 h GLU 57 N 0.61 0.39 -0.53 0.00 4.57 -0.75 -2.54 114.58 116.33 3hx5 h GLU 57 Ca 0.05 -0.30 -0.07 0.00 -1.18 0.00 0.00 59.36 57.87 3hx5 h GLU 57 Cb 0.92 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.54 3hx5 h GLU 57 CO 0.08 0.93 0.06 0.93 -1.18 0.00 0.00 179.01 179.83 3hx5 h GLU 58 N 0.27 0.86 0.00 1.92 5.08 -0.87 -1.19 114.58 120.65 3hx5 h GLU 58 Ca -0.02 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 3hx5 h GLU 58 Cb 1.25 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3hx5 h GLU 58 CO 0.12 0.82 0.00 0.87 -1.00 0.00 0.00 179.01 179.82 3hx5 h LYS 59 N 0.81 0.00 -0.02 2.33 1.79 -1.29 -1.84 116.57 118.35 3hx5 h LYS 59 Ca 0.16 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.58 3hx5 h LYS 59 Cb 0.40 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 3hx5 h LYS 59 CO 0.01 0.00 -0.19 -0.09 -1.08 0.00 0.00 179.45 178.10 3hx5 h ARG 60 N 0.00 0.16 0.00 3.15 2.43 -0.93 -2.58 114.38 116.61 3hx5 h ARG 60 Ca 0.00 -0.15 -0.02 0.00 -0.81 0.00 0.00 59.98 59.00 3hx5 h ARG 60 Cb 0.79 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.38 3hx5 h ARG 60 CO 0.00 0.85 -0.10 0.93 -1.51 0.00 0.00 179.97 180.14 3hx5 h GLU 61 N -0.47 0.00 -0.07 0.20 5.08 -1.13 -0.99 114.58 117.19 3hx5 h GLU 61 Ca -0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3hx5 h GLU 61 Cb 0.90 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 3hx5 h GLU 61 CO 0.04 0.10 -0.06 0.78 -1.00 0.00 0.00 179.01 178.87 3hx5 h GLY 62 N 0.45 0.18 2.00 -3.84 0.00 -1.23 -2.12 103.07 98.51 3hx5 h GLY 62 Ca -0.00 -0.18 -0.09 0.00 0.00 0.00 0.00 47.33 47.06 3hx5 h GLY 62 CO 0.01 0.16 -0.41 0.10 0.00 0.00 0.00 176.54 176.40 3hx5 h TYR 63 N -0.25 0.00 -0.30 5.60 -0.00 -1.01 -2.29 116.97 118.73 3hx5 h TYR 63 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.71 3hx5 h TYR 63 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.26 3hx5 h TYR 63 CO 0.08 0.41 0.05 0.93 -0.00 0.00 0.00 178.16 179.63 3hx5 h GLU 64 N 0.00 0.49 -0.67 0.10 5.08 -1.20 -0.85 114.58 117.54 3hx5 h GLU 64 Ca -0.00 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 3hx5 h GLU 64 Cb 1.03 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 3hx5 h GLU 64 CO 0.05 0.60 0.37 -0.09 -1.00 0.00 0.00 179.01 178.94 3hx5 h ARG 65 N 0.31 0.93 -0.46 2.33 2.43 -1.25 0.79 114.38 119.46 3hx5 h ARG 65 Ca 0.09 -0.10 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 3hx5 h ARG 65 Cb 0.34 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 3hx5 h ARG 65 CO 0.01 0.69 0.01 -0.07 -1.51 0.00 0.00 179.97 179.09 3hx5 h LEU 66 N 0.92 0.73 -0.39 3.80 3.38 -1.25 -1.68 115.31 120.81 3hx5 h LEU 66 Ca 0.24 -0.17 -0.16 0.00 0.09 0.00 0.00 57.88 57.88 3hx5 h LEU 66 Cb 0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3hx5 h LEU 66 CO -0.04 0.79 -0.37 -0.07 0.09 0.00 0.00 178.44 178.84 3hx5 h LEU 67 N 0.71 1.00 0.11 1.67 3.38 -0.38 -0.78 115.31 121.02 3hx5 h LEU 67 Ca 0.14 -0.46 0.01 0.00 0.09 0.00 0.00 57.88 57.65 3hx5 h LEU 67 Cb 0.43 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3hx5 h LEU 67 CO 0.02 1.25 -0.13 0.50 0.09 0.00 0.00 178.44 180.18 3hx5 h LYS 68 N 0.75 -0.26 -0.02 1.13 1.63 -0.68 -1.45 116.57 117.67 3hx5 h LYS 68 Ca 0.06 0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.86 3hx5 h LYS 68 Cb 0.97 0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 32.66 3hx5 h LYS 68 CO 0.09 -0.17 -0.09 1.98 -3.45 0.00 0.00 179.45 177.81 3hx5 h MET 69 N -0.27 0.03 -0.39 1.90 4.05 -1.23 -1.92 114.93 117.10 3hx5 h MET 69 Ca 0.01 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 3hx5 h MET 69 Cb 0.27 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.04 3hx5 h MET 69 CO -0.04 0.12 0.19 0.37 0.23 0.00 0.00 176.91 177.78 3hx5 h GLN 70 N 0.03 0.55 -0.38 0.39 5.75 -0.09 -2.52 115.11 118.85 3hx5 h GLN 70 Ca 0.01 -0.08 -0.07 0.00 -0.15 0.00 0.00 58.65 58.36 3hx5 h GLN 70 Cb 0.17 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 3hx5 h GLN 70 CO 0.01 0.47 -0.04 -0.91 -2.65 0.00 0.00 178.83 175.72 3hx5 h ASN 71 N 0.49 0.69 -0.80 -0.69 2.35 -0.91 0.15 115.58 116.85 3hx5 h ASN 71 Ca 0.13 -0.33 0.16 0.00 -0.55 0.00 0.00 56.30 55.71 3hx5 h ASN 71 Cb 0.10 -0.19 -0.06 0.00 0.05 0.00 0.00 38.32 38.23 3hx5 h ASN 71 CO -0.02 0.85 0.53 1.56 -1.65 0.00 0.00 177.43 178.70 3hx5 h GLN 72 N 0.50 0.43 -0.01 0.81 1.08 -1.13 -0.59 115.11 116.20 3hx5 h GLN 72 Ca 0.10 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 3hx5 h GLN 72 Cb 0.52 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 3hx5 h GLN 72 CO 0.03 0.28 -0.31 0.54 -0.95 0.00 0.00 178.83 178.42 3hx5 n ARG 73 N -4.49 0.98 -0.52 1.46 5.12 -0.97 -4.93 116.66 113.31 3hx5 n ARG 73 Ca 0.16 -0.66 0.00 0.00 -1.93 0.00 0.00 57.85 55.42 3hx5 n ARG 73 Cb 0.56 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.37 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 1.36 0.71 3.88 -0.13 0.00 -0.23 -4.14 105.19 106.64 3hx5 n GLY 74 Ca 0.12 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.27 1.86 -0.23 -0.02 0.00 0.50 -4.75 107.32 102.41 3hx5 s GLY 75 Ca 0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 44.72 44.36 3hx5 s GLY 75 CO 0.00 -0.13 -0.01 0.50 0.00 0.00 0.00 173.10 173.46 3hx5 s ARG 76 N -3.92 3.47 0.16 2.90 1.81 -1.26 -4.11 118.95 118.00 3hx5 s ARG 76 Ca 0.49 -0.58 -0.32 0.00 -1.72 0.00 0.00 55.73 53.61 3hx5 s ARG 76 Cb -0.10 -3.11 -0.10 0.00 -0.45 0.00 0.00 34.95 31.18 3hx5 s ARG 76 CO 0.33 -0.20 1.65 0.00 -0.68 0.00 0.00 175.30 176.40 3hx5 s ALA 77 N 1.52 3.82 -0.26 2.13 0.00 -1.26 -4.99 121.76 122.72 3hx5 s ALA 77 Ca 0.06 1.43 0.02 0.00 0.00 0.00 0.00 51.96 53.47 3hx5 s ALA 77 Cb -0.14 -3.66 0.06 0.00 0.00 0.00 0.00 23.12 19.38 3hx5 s ALA 77 CO -0.01 -0.89 -0.06 -0.51 0.00 0.00 0.00 175.76 174.28 3hx5 s LEU 78 N 1.45 3.12 0.20 0.00 1.43 -1.26 -5.12 118.68 118.50 3hx5 s LEU 78 Ca 0.73 -1.37 -0.18 0.00 -1.03 0.00 0.00 54.13 52.28 3hx5 s LEU 78 Cb -0.45 -1.36 -0.08 0.00 0.03 0.00 0.00 46.19 44.33 3hx5 s LEU 78 CO 0.32 -0.23 0.67 -0.36 0.23 0.00 0.00 176.35 176.97 3hx5 s PHE 79 N 1.24 3.62 0.44 0.29 0.08 -1.26 -4.84 117.98 117.54 3hx5 s PHE 79 Ca -0.05 1.27 0.02 0.00 0.12 0.00 0.00 56.93 58.29 3hx5 s PHE 79 Cb -0.19 -2.53 -0.01 0.00 -0.57 0.00 0.00 43.02 39.72 3hx5 s PHE 79 CO -0.06 0.36 0.06 1.04 -0.10 0.00 0.00 175.22 176.51 3hx5 n GLN 80 N 0.70 0.75 -2.41 0.44 1.13 -1.26 -5.12 117.38 111.61 3hx5 n GLN 80 Ca -0.03 -3.37 -0.41 0.00 -1.94 0.00 0.00 57.00 51.25 3hx5 n GLN 80 Cb 0.51 1.28 -0.04 0.00 0.11 0.00 0.00 30.24 32.11 3hx5 n GLN 80 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3hx5 s ASP 81 N -3.50 7.16 -0.44 1.08 -0.00 -1.26 -5.00 116.67 114.71 3hx5 s ASP 81 Ca 0.08 2.29 -0.19 0.00 -0.00 0.00 0.00 52.55 54.74 3hx5 s ASP 81 Cb 0.00 -2.62 0.03 0.00 -0.00 0.00 0.00 42.92 40.33 3hx5 s ASP 81 CO 0.06 -0.26 0.53 -0.63 -0.00 0.00 0.00 175.17 174.86 3hx5 s ILE 82 N -0.74 4.98 0.31 0.77 1.01 -1.26 -5.05 121.20 121.23 3hx5 s ILE 82 Ca 0.48 -0.23 -0.29 0.00 0.00 0.00 0.00 60.65 60.61 3hx5 s ILE 82 Cb -0.33 -4.13 -0.10 0.00 0.01 0.00 0.00 42.46 37.92 3hx5 s ILE 82 CO 0.40 -0.53 1.26 -0.54 0.00 0.00 0.00 174.94 175.54 3hx5 s LYS 83 N 2.41 4.42 0.67 2.79 1.02 -1.26 -4.99 119.74 124.79 3hx5 s LYS 83 Ca 0.16 2.12 -0.17 0.00 0.02 0.00 0.00 55.97 58.09 3hx5 s LYS 83 Cb -0.16 -3.10 0.00 0.00 -0.52 0.00 0.00 37.83 34.05 3hx5 s LYS 83 CO 0.15 -0.10 1.25 -1.59 -0.92 0.00 0.00 175.35 174.14 3hx5 s LYS 84 N -1.65 2.47 0.48 1.68 -2.85 -1.26 -4.87 119.74 113.73 3hx5 s LYS 84 Ca 0.48 1.92 -0.23 0.00 -1.00 0.00 0.00 55.97 57.15 3hx5 s LYS 84 Cb -0.38 -1.85 -0.09 0.00 -2.06 0.00 0.00 37.83 33.45 3hx5 s LYS 84 CO 0.50 -1.62 1.03 -2.30 0.10 0.00 0.00 175.35 173.05 3hx5 n PRO 85 N -2.14 1.30 0.00 1.78 -0.02 -1.26 -4.84 135.00 129.82 3hx5 n PRO 85 Ca 0.15 0.47 0.02 0.00 -2.02 0.00 0.00 63.50 62.12 3hx5 n PRO 85 Cb 0.49 -2.13 0.12 0.00 -0.02 0.00 0.00 33.50 31.97 3hx5 n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hx5 n ALA 86 N -0.83 1.48 -2.47 3.55 0.00 -1.26 -4.72 120.51 116.26 3hx5 n ALA 86 Ca 0.10 -0.02 -0.09 0.00 0.00 0.00 0.00 53.44 53.43 3hx5 n ALA 86 Cb 0.42 -1.08 -0.08 0.00 0.00 0.00 0.00 19.45 18.71 3hx5 n ALA 86 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3hx5 s GLU 87 N -2.43 0.88 -0.07 0.00 0.41 -1.26 -5.05 118.70 111.17 3hx5 s GLU 87 Ca 0.05 -1.10 0.08 0.00 -0.41 0.00 0.00 54.97 53.60 3hx5 s GLU 87 Cb 0.03 0.32 -0.12 0.00 -1.78 0.00 0.00 34.13 32.58 3hx5 s GLU 87 CO 0.07 -0.27 0.06 -0.25 -0.49 0.00 0.00 175.26 174.38 3hx5 n ASP 88 N -0.07 2.82 -4.02 -0.19 8.00 -1.26 -4.95 116.55 116.88 3hx5 n ASP 88 Ca -0.12 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.12 3hx5 n ASP 88 Cb 0.62 0.85 -0.17 0.00 -0.02 0.00 0.00 41.12 42.41 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 1.83 0.00 -1.24 2.02 -1.26 -5.00 118.70 112.75 3hx5 s GLU 89 Ca -0.04 -0.44 0.25 0.00 0.02 0.00 0.00 54.97 54.76 3hx5 s GLU 89 Cb 0.03 -1.56 0.47 0.00 0.10 0.00 0.00 34.13 33.17 3hx5 s GLU 89 CO 0.37 -0.03 1.39 0.91 0.02 0.00 0.00 175.26 177.93 3hx5 n TRP 90 N 4.03 0.00 -2.57 1.61 7.02 -1.26 -5.07 117.44 121.21 3hx5 n TRP 90 Ca -0.21 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.27 3hx5 n TRP 90 Cb 0.51 -0.05 0.00 0.00 -2.42 0.00 0.00 31.31 29.35 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 1.35 0.33 3.94 6.99 0.00 -1.26 -3.93 105.19 112.61 3hx5 n GLY 91 Ca 0.12 -0.88 -0.21 0.00 0.00 0.00 0.00 46.02 45.06 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 3.22 0.28 1.61 1.02 -1.26 -4.94 119.74 119.68 3hx5 s LYS 92 Ca 0.00 -0.91 -0.05 0.00 0.02 0.00 0.00 55.97 55.03 3hx5 s LYS 92 Cb 0.00 -2.79 0.54 0.00 -0.52 0.00 0.00 37.83 35.06 3hx5 s LYS 92 CO 0.00 0.31 1.57 1.15 -0.92 0.00 0.00 175.35 177.46 3hx5 h THR 93 N 1.16 0.05 -0.64 2.17 2.02 -2.00 0.17 112.91 115.84 3hx5 h THR 93 Ca -0.49 -0.00 0.02 0.00 0.77 0.00 0.00 66.41 66.70 3hx5 h THR 93 Cb 1.24 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 3hx5 h THR 93 CO 0.59 0.00 0.42 -0.65 0.37 0.00 0.00 175.52 176.25 3hx5 h PRO 94 N 0.01 0.79 -0.30 6.66 0.11 -1.95 0.46 132.00 137.78 3hx5 h PRO 94 Ca 0.50 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.47 3hx5 h PRO 94 Cb 0.87 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.80 3hx5 h PRO 94 CO -0.95 0.52 -0.19 -0.44 -0.21 0.00 0.00 178.00 176.73 3hx5 h ASP 95 N 0.81 0.68 0.26 -2.05 5.19 -0.96 -1.46 116.42 118.90 3hx5 h ASP 95 Ca 0.25 -0.43 -0.01 0.00 -0.62 0.00 0.00 57.03 56.21 3hx5 h ASP 95 Cb -0.01 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.31 3hx5 h ASP 95 CO -0.06 0.97 -0.13 0.00 -3.12 0.00 0.00 179.24 176.90 3hx5 h ALA 96 N 0.74 -0.35 -0.17 3.45 0.00 -1.02 -1.23 119.26 120.68 3hx5 h ALA 96 Ca 0.06 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.91 3hx5 h ALA 96 Cb 0.73 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3hx5 h ALA 96 CO 0.05 -0.64 0.14 1.98 0.00 0.00 0.00 179.25 180.78 3hx5 h MET 97 N -0.45 0.00 0.00 0.00 -1.53 -0.93 0.97 114.93 112.99 3hx5 h MET 97 Ca -0.04 0.00 -0.22 0.00 -3.44 0.00 0.00 59.70 56.00 3hx5 h MET 97 Cb 0.34 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.39 3hx5 h MET 97 CO 0.06 0.00 -0.93 0.87 0.14 0.00 0.00 176.91 177.05 3hx5 h LYS 98 N 0.00 0.36 -0.27 0.39 1.57 -0.83 -2.01 116.57 115.78 3hx5 h LYS 98 Ca 0.08 -0.39 -0.18 0.00 -1.87 0.00 0.00 60.65 58.29 3hx5 h LYS 98 Cb 0.36 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 3hx5 h LYS 98 CO -0.00 1.07 -0.55 0.00 -0.57 0.00 0.00 179.45 179.41 3hx5 h ALA 99 N 0.79 0.51 0.55 3.86 0.00 0.20 -1.66 119.26 123.51 3hx5 h ALA 99 Ca -0.07 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 3hx5 h ALA 99 Cb 1.57 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.28 3hx5 h ALA 99 CO 0.16 0.68 -0.26 0.00 0.00 0.00 0.00 179.25 179.83 3hx5 h ALA 100 N 0.75 -0.73 -0.61 0.00 0.00 -0.92 -0.21 119.26 117.53 3hx5 h ALA 100 Ca 0.01 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 54.88 3hx5 h ALA 100 Cb 1.14 0.28 -0.12 0.00 0.00 0.00 0.00 17.79 19.10 3hx5 h ALA 100 CO 0.12 -0.90 -0.14 1.98 0.00 0.00 0.00 179.25 180.31 3hx5 h MET 101 N -0.76 0.01 -0.91 0.00 -1.53 -1.34 0.14 114.93 110.54 3hx5 h MET 101 Ca -0.07 -0.00 0.04 0.00 -3.44 0.00 0.00 59.70 56.22 3hx5 h MET 101 Cb 0.57 -0.00 -0.05 0.00 -0.55 0.00 0.00 31.60 31.57 3hx5 h MET 101 CO 0.12 0.00 0.60 0.00 0.14 0.00 0.00 176.91 177.77 3hx5 h ALA 102 N 1.61 1.43 -0.06 0.39 0.00 -0.91 -1.22 119.26 120.49 3hx5 h ALA 102 Ca 0.30 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3hx5 h ALA 102 Cb 0.45 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3hx5 h ALA 102 CO -0.62 0.48 -0.01 1.25 0.00 0.00 0.00 179.25 180.34 3hx5 h LEU 103 N 1.13 0.11 -0.80 0.00 5.85 0.86 -2.64 115.31 119.84 3hx5 h LEU 103 Ca 0.36 -0.36 0.02 0.00 0.84 0.00 0.00 57.88 58.74 3hx5 h LEU 103 Cb 0.03 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 3hx5 h LEU 103 CO -0.11 0.45 0.52 -0.33 -0.34 0.00 0.00 178.44 178.63 3hx5 h GLU 104 N -0.23 1.02 -0.44 1.25 4.39 -0.42 -0.81 114.58 119.34 3hx5 h GLU 104 Ca 0.01 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 3hx5 h GLU 104 Cb 0.40 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 3hx5 h GLU 104 CO 0.01 0.67 0.14 0.87 -1.16 0.00 0.00 179.01 179.54 3hx5 h LYS 105 N 1.05 0.63 -0.38 2.33 1.57 -1.24 0.20 116.57 120.74 3hx5 h LYS 105 Ca 0.30 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.90 3hx5 h LYS 105 Cb -0.08 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 3hx5 h LYS 105 CO -0.08 0.55 -0.11 -0.22 -0.57 0.00 0.00 179.45 179.02 3hx5 h LYS 106 N 0.62 0.74 0.15 3.15 3.64 -0.97 -0.93 116.57 122.97 3hx5 h LYS 106 Ca 0.15 -0.29 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 3hx5 h LYS 106 Cb 0.18 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3hx5 h LYS 106 CO -0.01 0.89 -0.07 -0.07 -2.27 0.00 0.00 179.45 177.92 3hx5 h LEU 107 N 0.54 -0.17 -0.84 5.20 3.38 -0.55 -2.01 115.31 120.86 3hx5 h LEU 107 Ca 0.09 -0.18 0.15 0.00 0.09 0.00 0.00 57.88 58.03 3hx5 h LEU 107 Cb 0.63 0.04 -0.10 0.00 0.09 0.00 0.00 40.66 41.33 3hx5 h LEU 107 CO 0.04 0.09 0.41 -1.13 0.09 0.00 0.00 178.44 177.95 3hx5 h ASN 108 N -0.44 0.48 -0.62 -0.43 -1.24 -0.54 0.18 115.58 112.97 3hx5 h ASN 108 Ca -0.02 0.10 -0.04 0.00 0.71 0.00 0.00 56.30 57.05 3hx5 h ASN 108 Cb 0.34 0.03 -0.03 0.00 0.73 0.00 0.00 38.32 39.40 3hx5 h ASN 108 CO 0.03 0.19 0.23 -0.61 -1.29 0.00 0.00 177.43 175.98 3hx5 h GLN 109 N 0.58 0.95 -0.59 6.67 5.75 -1.04 -0.07 115.11 127.35 3hx5 h GLN 109 Ca 0.46 -0.19 -0.02 0.00 -0.15 0.00 0.00 58.65 58.76 3hx5 h GLN 109 Cb 0.68 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 29.06 3hx5 h GLN 109 CO -0.38 0.82 0.28 0.00 -2.65 0.00 0.00 178.83 176.90 3hx5 h ALA 110 N 1.09 1.38 0.33 3.38 0.00 -0.00 -1.04 119.26 124.40 3hx5 h ALA 110 Ca 0.21 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3hx5 h ALA 110 Cb 0.24 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hx5 h ALA 110 CO -0.01 0.48 -0.16 -0.07 0.00 0.00 0.00 179.25 179.49 3hx5 h LEU 111 N 0.83 -0.38 -2.22 0.00 3.38 -0.05 -1.48 115.31 115.39 3hx5 h LEU 111 Ca 0.21 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.11 3hx5 h LEU 111 Cb 0.09 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3hx5 h LEU 111 CO -0.03 -0.08 0.23 -0.07 0.09 0.00 0.00 178.44 178.58 3hx5 h LEU 112 N -0.68 0.00 0.08 1.67 3.38 -0.67 0.69 115.31 119.78 3hx5 h LEU 112 Ca -0.05 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.66 3hx5 h LEU 112 Cb 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3hx5 h LEU 112 CO 0.07 0.00 -1.27 0.44 0.09 0.00 0.00 178.44 177.78 3hx5 h ASP 113 N 0.00 0.28 -0.35 -0.43 3.45 -0.89 -1.68 116.42 116.80 3hx5 h ASP 113 Ca 0.09 -0.32 -0.09 0.00 0.43 0.00 0.00 57.03 57.14 3hx5 h ASP 113 Cb 0.55 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 39.22 3hx5 h ASP 113 CO -0.00 1.26 -0.12 0.25 -1.57 0.00 0.00 179.24 179.06 3hx5 h LEU 114 N 0.05 0.71 -0.79 1.55 5.85 0.01 -0.82 115.31 121.88 3hx5 h LEU 114 Ca -0.13 -0.38 -0.05 0.00 0.84 0.00 0.00 57.88 58.15 3hx5 h LEU 114 Cb 1.93 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.73 3hx5 h LEU 114 CO 0.17 0.93 0.26 -0.74 -0.34 0.00 0.00 178.44 178.72 3hx5 h HIS 115 N 0.49 1.20 -0.33 1.25 2.76 -0.98 0.96 115.15 120.50 3hx5 h HIS 115 Ca 0.08 -0.11 -0.06 0.00 -2.20 0.00 0.00 60.37 58.09 3hx5 h HIS 115 Cb 0.64 -0.35 -0.02 0.00 1.55 0.00 0.00 27.41 29.23 3hx5 h HIS 115 CO 0.05 0.93 -0.04 0.00 -1.30 0.00 0.00 177.93 177.58 3hx5 h ALA 116 N 1.15 1.32 -0.29 5.26 0.00 -1.12 -1.30 119.26 124.29 3hx5 h ALA 116 Ca 0.25 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3hx5 h ALA 116 Cb 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3hx5 h ALA 116 CO -0.01 0.46 -0.10 1.25 0.00 0.00 0.00 179.25 180.85 3hx5 h LEU 117 N 0.50 0.59 -0.19 0.00 5.85 -0.10 -2.69 115.31 119.27 3hx5 h LEU 117 Ca 0.10 -0.39 0.02 0.00 0.84 0.00 0.00 57.88 58.46 3hx5 h LEU 117 Cb 0.38 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 3hx5 h LEU 117 CO 0.02 0.84 0.06 1.23 -0.34 0.00 0.00 178.44 180.25 3hx5 h GLY 118 N 0.33 0.23 0.91 3.75 0.00 -0.41 -0.76 103.07 107.12 3hx5 h GLY 118 Ca 0.07 -0.03 0.05 0.00 0.00 0.00 0.00 47.33 47.41 3hx5 h GLY 118 CO 0.04 0.02 0.60 1.76 0.00 0.00 0.00 176.54 178.95 3hx5 h SER 119 N 0.15 0.96 0.57 0.19 0.02 -1.22 -0.40 113.55 113.82 3hx5 h SER 119 Ca 0.08 -0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.89 3hx5 h SER 119 Cb 0.06 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 3hx5 h SER 119 CO -0.09 0.63 -0.67 0.00 -1.14 0.00 0.00 176.83 175.56 3hx5 h ALA 120 N 1.49 0.85 -0.45 3.77 0.00 -1.10 -2.59 119.26 121.23 3hx5 h ALA 120 Ca 0.38 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3hx5 h ALA 120 Cb 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hx5 h ALA 120 CO -0.13 0.81 0.00 0.54 0.00 0.00 0.00 179.25 180.47 3hx5 n ARG 121 N -3.77 3.31 -3.83 0.00 5.12 -0.33 -4.95 116.66 112.21 3hx5 n ARG 121 Ca -0.02 -2.14 -0.28 0.00 -1.93 0.00 0.00 57.85 53.48 3hx5 n ARG 121 Cb 0.66 -1.85 0.01 0.00 -1.16 0.00 0.00 32.46 30.12 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 0.63 -1.81 -3.89 0.55 -2.24 -0.26 -4.91 114.28 102.36 3hx5 n THR 122 Ca 0.19 -0.30 -0.29 0.00 -2.27 0.00 0.00 64.05 61.39 3hx5 n THR 122 Cb 0.78 -1.56 -0.12 0.00 -2.10 0.00 0.00 70.33 67.32 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 -3.70 4.54 0.59 3.42 2.15 -0.59 -4.96 116.67 118.13 3hx5 s ASP 123 Ca 0.25 -3.58 0.36 0.00 0.43 0.00 0.00 52.55 50.00 3hx5 s ASP 123 Cb -0.14 -1.58 1.87 0.00 -0.30 0.00 0.00 42.92 42.77 3hx5 s ASP 123 CO 0.63 -0.13 2.20 1.55 -0.17 0.00 0.00 175.17 179.25 3hx5 h PRO 124 N 5.72 0.00 -0.35 4.34 0.13 -1.91 -2.62 132.00 137.31 3hx5 h PRO 124 Ca 0.09 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.09 3hx5 h PRO 124 Cb 0.80 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 3hx5 h PRO 124 CO 0.69 0.03 -0.30 1.25 -0.23 0.00 0.00 178.00 179.44 3hx5 h HIS 125 N 0.00 0.88 0.28 1.56 2.76 -1.95 -2.52 115.15 116.16 3hx5 h HIS 125 Ca -0.00 -0.23 -0.01 0.00 -2.20 0.00 0.00 60.37 57.93 3hx5 h HIS 125 Cb 0.20 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 28.96 3hx5 h HIS 125 CO 0.00 0.97 -0.13 1.25 -1.30 0.00 0.00 177.93 178.71 3hx5 h LEU 126 N 0.64 -0.31 -1.31 0.26 5.85 -1.88 -1.71 115.31 116.85 3hx5 h LEU 126 Ca 0.07 -0.17 0.14 0.00 0.84 0.00 0.00 57.88 58.76 3hx5 h LEU 126 Cb 0.83 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.87 3hx5 h LEU 126 CO 0.07 0.02 0.57 0.00 -0.34 0.00 0.00 178.44 178.76 3hx5 h ASP 128 N 0.67 0.62 0.02 0.00 3.58 -1.41 -0.93 116.42 118.97 3hx5 h ASP 128 Ca 0.44 -0.38 0.01 0.00 0.42 0.00 0.00 57.03 57.52 3hx5 h ASP 128 Cb 0.73 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.59 3hx5 h ASP 128 CO -0.20 1.13 -0.07 0.15 -2.88 0.00 0.00 179.24 177.37 3hx5 h PHE 129 N 0.38 -0.17 0.20 0.28 -0.00 -0.03 0.62 116.94 118.21 3hx5 h PHE 129 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.94 3hx5 h PHE 129 Cb 1.26 0.07 0.00 0.00 -0.00 0.00 0.00 35.95 37.28 3hx5 h PHE 129 CO 0.05 -0.10 -0.09 -0.07 -0.00 0.00 0.00 178.31 178.09 3hx5 h LEU 130 N -0.13 -0.22 -0.87 0.59 3.38 -1.21 -1.75 115.31 115.11 3hx5 h LEU 130 Ca 0.02 -0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.08 3hx5 h LEU 130 Cb 0.15 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 3hx5 h LEU 130 CO -0.05 -0.15 0.51 -0.33 0.09 0.00 0.00 178.44 178.51 3hx5 h GLU 131 N -0.28 0.84 0.05 1.13 5.08 -0.88 0.27 114.58 120.80 3hx5 h GLU 131 Ca -0.03 -0.05 -0.27 0.00 -1.00 0.00 0.00 59.36 58.01 3hx5 h GLU 131 Cb 0.22 -0.19 0.02 0.00 0.50 0.00 0.00 28.75 29.30 3hx5 h GLU 131 CO 0.04 0.55 -1.12 1.15 -1.00 0.00 0.00 179.01 178.64 3hx5 h THR 132 N 0.86 1.31 0.00 1.13 2.02 -0.74 -3.38 112.91 114.11 3hx5 h THR 132 Ca 0.41 -2.40 0.00 0.00 0.77 0.00 0.00 66.41 65.19 3hx5 h THR 132 Cb 0.35 2.54 0.00 0.00 -1.74 0.00 0.00 68.15 69.30 3hx5 h THR 132 CO -0.24 0.73 -0.95 1.41 0.37 0.00 0.00 175.52 176.84 3hx5 n HIS 133 N -3.80 0.00 0.03 3.16 8.25 -0.67 -4.93 115.22 117.27 3hx5 n HIS 133 Ca -0.11 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.33 3hx5 n HIS 133 Cb 0.92 -0.11 -0.00 0.00 1.12 0.00 0.00 29.99 31.92 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 -1.53 0.00 -0.25 4.41 3.72 0.85 -4.63 117.46 120.03 3hx5 n PHE 134 Ca -0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.39 3hx5 n PHE 134 Cb 0.18 -0.07 0.06 0.00 -0.94 0.00 0.00 39.48 38.71 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 -0.13 -0.91 -0.22 4.37 3.38 -1.47 -1.49 115.31 118.85 3hx5 h LEU 135 Ca -0.01 0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 3hx5 h LEU 135 Cb 0.20 0.53 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 3hx5 h LEU 135 CO -0.00 -0.27 -0.09 -0.78 0.09 0.00 0.00 178.44 177.38 3hx5 h ASP 136 N -0.05 0.00 -0.37 -0.43 1.82 -1.84 -2.54 116.42 113.00 3hx5 h ASP 136 Ca 0.32 0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.83 3hx5 h ASP 136 Cb 0.56 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.56 3hx5 h ASP 136 CO -0.76 0.09 -0.26 -0.33 -1.61 0.00 0.00 179.24 176.37 3hx5 h GLU 137 N 0.00 0.84 0.12 0.28 4.39 -1.56 -2.47 114.58 116.18 3hx5 h GLU 137 Ca -0.00 -0.40 -0.01 0.00 0.34 0.00 0.00 59.36 59.29 3hx5 h GLU 137 Cb 0.99 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 3hx5 h GLU 137 CO 0.01 1.04 -0.06 0.93 -1.16 0.00 0.00 179.01 179.77 3hx5 h GLU 138 N 0.64 -0.15 -0.98 2.33 4.39 -1.36 -1.54 114.58 117.91 3hx5 h GLU 138 Ca 0.07 0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.91 3hx5 h GLU 138 Cb 0.83 0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 29.43 3hx5 h GLU 138 CO 0.07 0.13 0.62 0.28 -1.16 0.00 0.00 179.01 178.95 3hx5 h VAL 139 N -0.42 0.91 -0.10 3.13 2.07 -1.51 0.63 116.25 120.95 3hx5 h VAL 139 Ca -0.02 -0.32 -0.13 0.00 0.82 0.00 0.00 66.70 67.05 3hx5 h VAL 139 Cb 0.35 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 3hx5 h VAL 139 CO 0.03 0.17 -0.51 0.11 0.02 0.00 0.00 177.57 177.39 3hx5 h LYS 140 N 0.94 0.28 0.14 1.57 1.57 -1.28 -2.61 116.57 117.18 3hx5 h LYS 140 Ca 0.48 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 59.10 3hx5 h LYS 140 Cb 0.52 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3hx5 h LYS 140 CO -0.25 0.72 -0.07 1.25 -0.57 0.00 0.00 179.45 180.53 3hx5 h LEU 141 N 0.22 -0.16 -1.80 2.94 5.85 -0.08 -2.65 115.31 119.63 3hx5 h LEU 141 Ca 0.01 -0.38 0.20 0.00 0.84 0.00 0.00 57.88 58.54 3hx5 h LEU 141 Cb 0.97 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 3hx5 h LEU 141 CO 0.08 0.39 0.54 0.40 -0.34 0.00 0.00 178.44 179.51 3hx5 h ILE 142 N -0.82 0.67 0.00 4.05 2.04 -0.96 0.65 117.51 123.14 3hx5 h ILE 142 Ca -0.02 -0.06 -0.14 0.00 1.00 0.00 0.00 64.86 65.64 3hx5 h ILE 142 Cb 0.54 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 3hx5 h ILE 142 CO 0.03 0.03 -0.65 0.50 0.00 0.00 0.00 178.15 178.06 3hx5 h LYS 143 N 0.17 0.00 -0.02 2.37 1.63 -1.46 -0.75 116.57 118.51 3hx5 h LYS 143 Ca 0.38 0.00 -0.25 0.00 -0.85 0.00 0.00 60.65 59.93 3hx5 h LYS 143 Cb 1.25 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 32.90 3hx5 h LYS 143 CO -0.07 0.65 -0.98 -0.22 -3.45 0.00 0.00 179.45 175.39 3hx5 h LYS 144 N 0.00 0.70 -0.42 1.90 3.64 0.56 -2.47 116.57 120.48 3hx5 h LYS 144 Ca -0.01 -0.72 -0.09 0.00 -1.27 0.00 0.00 60.65 58.56 3hx5 h LYS 144 Cb 1.27 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 33.27 3hx5 h LYS 144 CO 0.08 1.30 -0.10 0.52 -2.27 0.00 0.00 179.45 178.99 3hx5 h MET 145 N 0.38 0.80 -0.62 1.90 2.86 -0.81 -1.96 114.93 117.47 3hx5 h MET 145 Ca -0.12 -0.31 0.03 0.00 -2.06 0.00 0.00 59.70 57.25 3hx5 h MET 145 Cb 1.63 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 33.21 3hx5 h MET 145 CO 0.19 0.92 0.38 0.78 1.06 0.00 0.00 176.91 180.25 3hx5 h GLY 146 N 0.62 0.89 0.84 8.32 0.00 -1.16 0.92 103.07 113.50 3hx5 h GLY 146 Ca 0.11 -0.29 0.04 0.00 0.00 0.00 0.00 47.33 47.19 3hx5 h GLY 146 CO 0.04 0.24 0.58 -0.55 0.00 0.00 0.00 176.54 176.85 3hx5 h ASP 147 N 0.75 0.95 -0.10 0.19 3.32 -1.23 -1.87 116.42 118.42 3hx5 h ASP 147 Ca 0.25 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 3hx5 h ASP 147 Cb 0.03 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.37 3hx5 h ASP 147 CO -0.11 0.64 0.03 0.45 -1.72 0.00 0.00 179.24 178.53 3hx5 h HIS 148 N 1.10 0.17 -0.66 4.55 3.86 -0.37 -1.60 115.15 122.21 3hx5 h HIS 148 Ca 0.37 -0.02 0.11 0.00 -1.16 0.00 0.00 60.37 59.67 3hx5 h HIS 148 Cb 0.05 -0.05 -0.08 0.00 1.06 0.00 0.00 27.41 28.39 3hx5 h HIS 148 CO -0.02 0.33 0.24 -0.07 0.86 0.00 0.00 177.93 179.27 3hx5 h LEU 149 N -0.03 0.22 -0.74 2.43 3.38 -0.47 0.19 115.31 120.28 3hx5 h LEU 149 Ca 0.03 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 3hx5 h LEU 149 Cb 0.24 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3hx5 h LEU 149 CO -0.00 0.11 0.28 0.74 0.09 0.00 0.00 178.44 179.67 3hx5 h THR 150 N 0.41 1.26 0.00 0.22 2.02 -1.09 -0.92 112.91 114.80 3hx5 h THR 150 Ca 0.34 -0.82 -0.11 0.00 0.77 0.00 0.00 66.41 66.59 3hx5 h THR 150 Cb 0.47 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 3hx5 h THR 150 CO -0.35 0.33 -0.54 0.78 0.37 0.00 0.00 175.52 176.11 3hx5 h ASN 151 N 1.08 0.00 -0.03 4.18 2.35 -0.26 -2.36 115.58 120.54 3hx5 h ASN 151 Ca 0.25 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.98 3hx5 h ASN 151 Cb 0.24 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.60 3hx5 h ASN 151 CO -0.02 0.54 -0.04 -0.07 -1.65 0.00 0.00 177.43 176.19 3hx5 h LEU 152 N 0.00 0.09 -1.89 1.61 3.38 -0.25 -2.81 115.31 115.44 3hx5 h LEU 152 Ca -0.01 -0.50 -0.00 0.00 0.09 0.00 0.00 57.88 57.46 3hx5 h LEU 152 Cb 1.26 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 3hx5 h LEU 152 CO 0.07 0.57 0.02 -0.74 0.09 0.00 0.00 178.44 178.45 3hx5 h HIS 153 N -0.39 0.09 0.00 1.13 2.76 -1.20 -0.42 115.15 117.12 3hx5 h HIS 153 Ca 0.00 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.16 3hx5 h HIS 153 Cb 0.55 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.48 3hx5 h HIS 153 CO 0.10 0.08 -0.08 -0.09 -1.30 0.00 0.00 177.93 176.63 3hx5 h ARG 154 N 0.09 0.00 -2.66 5.26 2.43 -1.31 -3.31 114.38 114.88 3hx5 h ARG 154 Ca 0.02 0.00 -0.61 0.00 -0.81 0.00 0.00 59.98 58.59 3hx5 h ARG 154 Cb 0.03 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.53 3hx5 h ARG 154 CO -0.00 0.08 2.55 1.28 -1.51 0.00 0.00 179.97 182.38 3hx5 n LEU 155 N -3.21 7.88 0.00 3.80 4.77 -0.17 -3.25 117.00 126.82 3hx5 n LEU 155 Ca 0.01 -4.33 0.00 0.00 -0.03 0.00 0.00 56.01 51.66 3hx5 n LEU 155 Cb 0.36 -1.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.00 3hx5 n LEU 155 CO 0.30 1.99 0.00 0.61 -1.33 0.00 0.00 177.39 178.96 3hx5 n GLY 156 N 2.66 -0.44 0.00 -0.72 0.00 -1.25 -5.00 105.19 100.44 3hx5 n GLY 156 Ca 0.67 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.75 3hx5 n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hx5 n GLY 157 N 1.03 -0.34 0.22 -0.02 0.00 -1.26 -4.83 105.19 100.00 3hx5 n GLY 157 Ca 0.00 -1.30 0.07 0.00 0.00 0.00 0.00 46.02 44.79 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 0.00 0.00 1.61 0.13 -2.00 -3.06 132.00 128.68 3hx5 h PRO 158 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3hx5 h PRO 158 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3hx5 h PRO 158 CO 0.00 0.22 0.00 0.39 -0.23 0.00 0.00 178.00 178.38 3hx5 n GLU 159 N -4.03 0.66 0.00 0.86 1.02 -1.26 -5.15 120.64 112.74 3hx5 n GLU 159 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 3hx5 n GLU 159 Cb 0.29 -1.09 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 3hx5 n GLU 159 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31