#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 -0.01 0.24 4.04 2.88 -1.26 -4.89 113.62 114.62 3hx5 n SER 3 Ca 0.00 0.04 0.12 0.00 -1.33 0.00 0.00 58.87 57.70 3hx5 n SER 3 Cb 0.00 -0.03 0.55 0.00 -0.75 0.00 0.00 64.21 63.97 3hx5 n SER 3 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 3hx5 h GLN 4 N 0.08 0.00 -0.01 -1.46 4.15 -1.97 -3.22 115.11 112.68 3hx5 h GLN 4 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.41 3hx5 h GLN 4 Cb 0.05 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.74 3hx5 h GLN 4 CO 0.02 0.15 -0.18 0.44 -1.93 0.00 0.00 178.83 177.32 3hx5 n ILE 5 N -3.31 0.00 -1.71 2.39 -5.35 -1.26 -5.03 119.36 105.09 3hx5 n ILE 5 Ca 0.00 -0.41 -0.43 0.00 -0.27 0.00 0.00 62.75 61.64 3hx5 n ILE 5 Cb 0.38 1.09 -0.02 0.00 -1.74 0.00 0.00 39.64 39.35 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 -0.35 2.44 -3.61 6.28 0.63 -1.22 -4.82 116.66 116.01 3hx5 n ARG 6 Ca 0.03 0.87 -0.01 0.00 -0.92 0.00 0.00 57.85 57.82 3hx5 n ARG 6 Cb 0.17 -2.61 -0.04 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 -0.29 0.54 -1.80 -0.14 0.74 -1.26 -4.91 119.66 112.54 3hx5 s GLN 7 Ca 0.67 1.29 0.00 0.00 0.05 0.00 0.00 55.36 57.37 3hx5 s GLN 7 Cb -0.56 0.71 0.00 0.00 1.10 0.00 0.00 33.01 34.26 3hx5 s GLN 7 CO 0.47 -0.18 0.00 -1.71 -0.55 0.00 0.00 175.29 173.33 3hx5 n ASN 8 N 5.22 -5.50 -4.27 6.67 5.15 -1.26 -4.96 115.26 116.31 3hx5 n ASN 8 Ca -0.12 0.16 -0.39 0.00 -0.60 0.00 0.00 54.58 53.62 3hx5 n ASN 8 Cb 0.51 -4.59 -0.11 0.00 -0.53 0.00 0.00 39.78 35.05 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 -2.88 3.31 0.34 1.20 5.04 -1.26 -4.82 117.35 118.27 3hx5 s TYR 9 Ca 0.00 -1.49 -0.26 0.00 -2.44 0.00 0.00 57.07 52.88 3hx5 s TYR 9 Cb 0.00 -2.69 -0.09 0.00 0.35 0.00 0.00 41.96 39.53 3hx5 s TYR 9 CO 0.00 -0.79 1.02 -1.54 -1.34 0.00 0.00 175.55 172.90 3hx5 s SER 10 N 1.80 7.12 0.51 4.32 1.04 -1.26 -4.95 113.70 122.27 3hx5 s SER 10 Ca 0.02 2.02 0.22 0.00 0.48 0.00 0.00 55.95 58.69 3hx5 s SER 10 Cb -0.21 -2.60 1.35 0.00 0.10 0.00 0.00 66.02 64.66 3hx5 s SER 10 CO 0.02 -0.23 2.09 0.71 0.98 0.00 0.00 173.24 176.81 3hx5 h THR 11 N 2.60 0.81 -0.21 2.02 1.35 -1.99 -2.12 112.91 115.36 3hx5 h THR 11 Ca -0.47 -0.40 -0.09 0.00 -0.55 0.00 0.00 66.41 64.89 3hx5 h THR 11 Cb 1.21 1.23 -0.00 0.00 -1.73 0.00 0.00 68.15 68.86 3hx5 h THR 11 CO 0.65 0.10 -0.22 0.44 -0.25 0.00 0.00 175.52 176.23 3hx5 h ASP 12 N 0.00 0.57 -0.43 5.36 3.45 -2.00 -2.41 116.42 120.96 3hx5 h ASP 12 Ca -0.00 -0.48 -0.02 0.00 0.43 0.00 0.00 57.03 56.96 3hx5 h ASP 12 Cb 0.23 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 38.82 3hx5 h ASP 12 CO 0.01 0.93 0.19 0.58 -1.57 0.00 0.00 179.24 179.39 3hx5 h VAL 13 N 0.21 1.19 -0.51 -1.35 2.07 -1.85 -1.57 116.25 114.44 3hx5 h VAL 13 Ca 0.03 -0.56 0.10 0.00 0.82 0.00 0.00 66.70 67.09 3hx5 h VAL 13 Cb 0.78 0.75 -0.09 0.00 -1.52 0.00 0.00 31.29 31.21 3hx5 h VAL 13 CO 0.06 0.21 -0.08 -0.08 0.02 0.00 0.00 177.57 177.69 3hx5 h GLU 14 N 0.56 0.04 -0.31 1.57 4.81 -1.34 0.36 114.58 120.26 3hx5 h GLU 14 Ca 0.15 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.28 3hx5 h GLU 14 Cb 0.15 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 3hx5 h GLU 14 CO -0.02 0.02 -0.22 0.00 -0.73 0.00 0.00 179.01 178.07 3hx5 h ALA 15 N 1.49 1.04 -0.26 2.92 0.00 -1.18 -2.56 119.26 120.71 3hx5 h ALA 15 Ca 0.25 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 3hx5 h ALA 15 Cb 0.38 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3hx5 h ALA 15 CO -0.49 0.58 -0.30 0.00 0.00 0.00 0.00 179.25 179.04 3hx5 h ALA 16 N 1.24 0.99 0.05 0.00 0.00 -0.12 -1.32 119.26 120.12 3hx5 h ALA 16 Ca 0.08 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 3hx5 h ALA 16 Cb 0.67 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3hx5 h ALA 16 CO 0.05 0.60 -0.03 0.28 0.00 0.00 0.00 179.25 180.15 3hx5 h VAL 17 N 0.46 1.20 -0.94 0.00 2.07 -0.86 0.83 116.25 119.02 3hx5 h VAL 17 Ca 0.06 -0.90 0.17 0.00 0.82 0.00 0.00 66.70 66.85 3hx5 h VAL 17 Cb 0.76 1.79 -0.08 0.00 -1.52 0.00 0.00 31.29 32.24 3hx5 h VAL 17 CO 0.06 0.22 0.60 0.78 0.02 0.00 0.00 177.57 179.25 3hx5 h ASN 18 N -0.48 0.65 0.00 0.57 2.35 -1.38 0.24 115.58 117.53 3hx5 h ASN 18 Ca -0.01 0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3hx5 h ASN 18 Cb 0.42 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.73 3hx5 h ASN 18 CO 0.01 0.29 -0.00 -1.28 -1.65 0.00 0.00 177.43 174.80 3hx5 h SER 19 N 0.67 -0.00 -0.81 5.81 0.87 -1.00 -2.85 113.55 116.24 3hx5 h SER 19 Ca 0.50 -0.34 0.03 0.00 -1.23 0.00 0.00 61.79 60.74 3hx5 h SER 19 Cb 0.87 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.78 3hx5 h SER 19 CO -0.25 0.34 0.53 0.25 -0.53 0.00 0.00 176.83 177.17 3hx5 h LEU 20 N -0.34 0.87 -0.24 2.23 5.85 0.12 -1.49 115.31 122.30 3hx5 h LEU 20 Ca -0.00 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.75 3hx5 h LEU 20 Cb 0.34 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 3hx5 h LEU 20 CO 0.00 0.60 -0.04 0.58 -0.34 0.00 0.00 178.44 179.25 3hx5 h VAL 21 N 1.01 0.79 -0.79 1.05 2.07 -0.54 0.13 116.25 119.97 3hx5 h VAL 21 Ca 0.32 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.84 3hx5 h VAL 21 Cb 0.02 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 3hx5 h VAL 21 CO -0.09 0.01 0.52 -1.13 0.02 0.00 0.00 177.57 176.89 3hx5 h ASN 22 N 0.03 0.89 -0.79 0.57 -0.73 -1.07 0.60 115.58 115.08 3hx5 h ASN 22 Ca 0.11 -0.02 -0.03 0.00 1.87 0.00 0.00 56.30 58.23 3hx5 h ASN 22 Cb 0.16 -0.22 -0.04 0.00 0.27 0.00 0.00 38.32 38.50 3hx5 h ASN 22 CO -0.22 0.64 0.36 0.25 -0.37 0.00 0.00 177.43 178.09 3hx5 h LEU 23 N 1.06 1.05 -0.24 0.34 5.85 -0.33 0.18 115.31 123.22 3hx5 h LEU 23 Ca 0.29 -0.13 -0.14 0.00 0.84 0.00 0.00 57.88 58.73 3hx5 h LEU 23 Cb -0.11 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.65 3hx5 h LEU 23 CO -0.07 0.90 -0.41 1.88 -0.34 0.00 0.00 178.44 180.40 3hx5 h TYR 24 N 1.14 0.88 -0.54 1.25 -1.99 -0.24 -1.17 116.97 116.30 3hx5 h TYR 24 Ca 0.27 -0.31 0.08 0.00 2.00 0.00 0.00 58.73 60.77 3hx5 h TYR 24 Cb 0.14 -0.17 -0.06 0.00 2.00 0.00 0.00 36.73 38.64 3hx5 h TYR 24 CO 0.02 1.08 0.20 -0.07 -0.00 0.00 0.00 178.16 179.38 3hx5 h LEU 25 N 0.42 0.20 -0.75 3.88 3.38 -0.48 0.26 115.31 122.22 3hx5 h LEU 25 Ca 0.02 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3hx5 h LEU 25 Cb 1.01 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 3hx5 h LEU 25 CO 0.09 0.14 0.39 -0.61 0.09 0.00 0.00 178.44 178.54 3hx5 h GLN 26 N 0.38 1.07 -0.50 1.13 4.15 -0.85 -1.01 115.11 119.48 3hx5 h GLN 26 Ca 0.27 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.55 3hx5 h GLN 26 Cb 0.30 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 3hx5 h GLN 26 CO -0.27 0.82 0.32 0.00 -1.93 0.00 0.00 178.83 177.78 3hx5 h ALA 27 N 1.20 0.63 -0.22 3.38 0.00 0.23 -0.26 119.26 124.23 3hx5 h ALA 27 Ca 0.26 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.14 3hx5 h ALA 27 Cb 0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3hx5 h ALA 27 CO -0.04 0.08 0.11 1.03 0.00 0.00 0.00 179.25 180.44 3hx5 h SER 28 N 0.67 0.17 -0.84 0.00 0.87 -0.01 -0.66 113.55 113.76 3hx5 h SER 28 Ca 0.18 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.79 3hx5 h SER 28 Cb -0.07 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 61.81 3hx5 h SER 28 CO -0.04 0.13 0.54 0.22 -0.53 0.00 0.00 176.83 177.15 3hx5 h TYR 29 N 0.24 1.00 -0.16 2.24 5.03 -0.86 0.11 116.97 124.57 3hx5 h TYR 29 Ca 0.09 0.03 0.03 0.00 2.58 0.00 0.00 58.73 61.45 3hx5 h TYR 29 Cb 0.01 -0.33 -0.02 0.00 1.55 0.00 0.00 36.73 37.94 3hx5 h TYR 29 CO -0.09 0.57 -0.00 1.15 -1.32 0.00 0.00 178.16 178.47 3hx5 h THR 30 N 1.03 0.89 -0.41 1.81 2.02 -0.33 -1.86 112.91 116.06 3hx5 h THR 30 Ca 0.34 -0.02 -0.04 0.00 0.77 0.00 0.00 66.41 67.47 3hx5 h THR 30 Cb 0.03 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 3hx5 h THR 30 CO -0.12 0.01 0.10 1.88 0.37 0.00 0.00 175.52 177.76 3hx5 h TYR 31 N 0.05 0.62 -0.46 3.16 0.05 -0.26 -2.06 116.97 118.06 3hx5 h TYR 31 Ca 0.07 -0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.81 3hx5 h TYR 31 Cb 0.09 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 37.62 3hx5 h TYR 31 CO -0.16 0.53 0.27 1.25 -1.05 0.00 0.00 178.16 179.01 3hx5 h LEU 32 N 0.60 0.55 -0.16 3.88 5.85 -0.06 0.19 115.31 126.16 3hx5 h LEU 32 Ca 0.14 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3hx5 h LEU 32 Cb 0.22 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3hx5 h LEU 32 CO -0.00 0.45 0.05 -1.28 -0.34 0.00 0.00 178.44 177.32 3hx5 h SER 33 N 0.61 0.24 -0.56 1.25 0.87 -0.96 -2.44 113.55 112.56 3hx5 h SER 33 Ca 0.16 -0.20 0.07 0.00 -1.23 0.00 0.00 61.79 60.60 3hx5 h SER 33 Cb 0.01 -0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 61.84 3hx5 h SER 33 CO -0.03 0.37 0.23 -0.07 -0.53 0.00 0.00 176.83 176.80 3hx5 h LEU 34 N 0.09 0.27 -0.03 2.23 3.38 -1.15 -0.32 115.31 119.79 3hx5 h LEU 34 Ca 0.05 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.11 3hx5 h LEU 34 Cb 0.22 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3hx5 h LEU 34 CO -0.00 0.18 -0.13 1.23 0.09 0.00 0.00 178.44 179.81 3hx5 h GLY 35 N 0.44 -0.14 2.00 0.83 0.00 -0.77 -2.39 103.07 103.04 3hx5 h GLY 35 Ca 0.27 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.75 3hx5 h GLY 35 CO -0.24 -0.13 0.00 0.74 0.00 0.00 0.00 176.54 176.91 3hx5 h PHE 36 N -0.21 0.00 -0.01 5.60 -1.00 -1.03 -3.08 116.94 117.22 3hx5 h PHE 36 Ca 0.06 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.83 3hx5 h PHE 36 Cb 0.28 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.84 3hx5 h PHE 36 CO -0.20 0.00 0.00 -0.92 -1.61 0.00 0.00 178.31 175.58 3hx5 h TYR 37 N 0.00 0.01 0.00 -0.55 3.20 -0.54 -2.60 116.97 116.49 3hx5 h TYR 37 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3hx5 h TYR 37 Cb 0.58 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.85 3hx5 h TYR 37 CO 0.00 0.29 0.00 1.19 -1.64 0.00 0.00 178.16 178.00 3hx5 n PHE 38 N -4.95 0.05 0.67 -3.82 3.72 -1.12 -1.74 117.46 110.27 3hx5 n PHE 38 Ca -0.08 0.02 0.12 0.00 -0.05 0.00 0.00 57.45 57.46 3hx5 n PHE 38 Cb 0.16 -0.53 0.26 0.00 -0.94 0.00 0.00 39.48 38.43 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 -1.54 0.64 -4.78 4.37 -0.08 -0.99 -1.17 116.55 113.01 3hx5 n ASP 39 Ca 0.03 0.19 -0.41 0.00 -1.51 0.00 0.00 54.79 53.09 3hx5 n ASP 39 Cb 0.16 -0.07 0.00 0.00 2.34 0.00 0.00 41.12 43.55 3hx5 n ASP 39 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 3hx5 s ARG 40 N -3.12 4.04 0.32 -0.67 0.52 -0.71 -4.68 118.95 114.65 3hx5 s ARG 40 Ca 0.08 2.51 0.24 0.00 -0.52 0.00 0.00 55.73 58.04 3hx5 s ARG 40 Cb 0.14 -2.91 1.16 0.00 0.52 0.00 0.00 34.95 33.87 3hx5 s ARG 40 CO 0.68 -0.57 1.72 0.38 0.02 0.00 0.00 175.30 177.54 3hx5 h ASP 41 N 2.89 0.00 0.37 0.23 2.03 -1.90 0.44 116.42 120.49 3hx5 h ASP 41 Ca -0.51 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.79 3hx5 h ASP 41 Cb 1.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 3hx5 h ASP 41 CO 0.64 0.00 -0.45 -0.90 -1.03 0.00 0.00 179.24 177.50 3hx5 n ASP 42 N -2.32 0.73 -0.03 4.15 3.85 -1.26 -4.37 116.55 117.31 3hx5 n ASP 42 Ca -0.00 -0.53 -0.06 0.00 -0.71 0.00 0.00 54.79 53.49 3hx5 n ASP 42 Cb 0.12 0.26 -0.02 0.00 -1.35 0.00 0.00 41.12 40.13 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 -1.19 1.31 -3.52 2.12 0.31 -0.42 -5.08 118.33 111.86 3hx5 n VAL 43 Ca 0.08 0.22 -0.21 0.00 -0.01 0.00 0.00 64.34 64.42 3hx5 n VAL 43 Cb 0.34 -1.95 0.02 0.00 -0.91 0.00 0.00 33.84 31.34 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 -3.96 -2.60 -3.61 3.52 0.00 0.14 -5.00 120.51 109.01 3hx5 n ALA 44 Ca -0.09 -0.17 -0.28 0.00 0.00 0.00 0.00 53.44 52.90 3hx5 n ALA 44 Cb 0.31 -2.75 -0.11 0.00 0.00 0.00 0.00 19.45 16.90 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 -5.43 2.81 0.25 0.00 1.43 -0.32 -4.98 118.68 112.44 3hx5 s LEU 45 Ca 0.24 -3.34 -0.03 0.00 -1.03 0.00 0.00 54.13 49.97 3hx5 s LEU 45 Cb -0.08 -0.94 0.47 0.00 0.03 0.00 0.00 46.19 45.67 3hx5 s LEU 45 CO 0.83 -0.14 1.76 -0.08 0.23 0.00 0.00 176.35 178.96 3hx5 h GLU 46 N 5.62 0.58 0.05 1.70 4.81 -1.95 0.07 114.58 125.46 3hx5 h GLU 46 Ca 0.20 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.41 3hx5 h GLU 46 Cb 0.85 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.08 3hx5 h GLU 46 CO 0.51 0.39 -0.10 0.78 -0.73 0.00 0.00 179.01 179.86 3hx5 h GLY 47 N 0.60 -0.16 0.96 1.92 0.00 -1.95 0.41 103.07 104.85 3hx5 h GLY 47 Ca 0.43 0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.85 3hx5 h GLY 47 CO -0.34 -0.11 0.19 -2.08 0.00 0.00 0.00 176.54 174.20 3hx5 h VAL 48 N -0.20 1.21 0.26 4.60 2.07 -1.84 -1.14 116.25 121.21 3hx5 h VAL 48 Ca 0.02 -0.64 0.01 0.00 0.82 0.00 0.00 66.70 66.91 3hx5 h VAL 48 Cb 0.22 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 3hx5 h VAL 48 CO -0.07 0.24 -0.41 -1.28 0.02 0.00 0.00 177.57 176.07 3hx5 h SER 49 N 0.63 -1.15 -0.96 0.57 0.87 -0.69 -1.91 113.55 110.89 3hx5 h SER 49 Ca 0.16 0.11 0.08 0.00 -1.23 0.00 0.00 61.79 60.92 3hx5 h SER 49 Cb 0.19 0.41 -0.07 0.00 -0.44 0.00 0.00 62.40 62.49 3hx5 h SER 49 CO -0.01 -0.52 0.62 -0.74 -0.53 0.00 0.00 176.83 175.65 3hx5 h HIS 50 N -0.73 1.11 -0.31 2.24 6.17 -0.82 -1.85 115.15 120.96 3hx5 h HIS 50 Ca -0.01 0.03 0.06 0.00 0.71 0.00 0.00 60.37 61.16 3hx5 h HIS 50 Cb 0.70 -0.36 -0.05 0.00 2.52 0.00 0.00 27.41 30.22 3hx5 h HIS 50 CO -0.29 0.53 -0.03 0.35 0.71 0.00 0.00 177.93 179.20 3hx5 h PHE 51 N 1.05 -0.08 -0.20 5.26 3.57 -0.46 -1.63 116.94 124.45 3hx5 h PHE 51 Ca 0.43 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.80 3hx5 h PHE 51 Cb 0.30 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 3hx5 h PHE 51 CO -0.00 -0.09 -0.54 0.74 -2.23 0.00 0.00 178.31 176.19 3hx5 h PHE 52 N 0.05 0.74 -0.48 0.41 -1.00 -0.82 -2.76 116.94 113.09 3hx5 h PHE 52 Ca 0.15 -0.26 -0.00 0.00 2.81 0.00 0.00 57.97 60.67 3hx5 h PHE 52 Cb 0.21 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.61 3hx5 h PHE 52 CO -0.25 1.00 0.29 0.00 -1.61 0.00 0.00 178.31 177.73 3hx5 h ARG 53 N 0.46 0.64 -0.12 1.51 3.08 -0.96 0.31 114.38 119.29 3hx5 h ARG 53 Ca 0.01 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 3hx5 h ARG 53 Cb 1.09 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 31.00 3hx5 h ARG 53 CO 0.10 0.45 0.02 0.93 -1.07 0.00 0.00 179.97 180.40 3hx5 h GLU 54 N 0.65 0.20 -0.96 0.04 5.08 -1.16 -2.20 114.58 116.23 3hx5 h GLU 54 Ca 0.17 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3hx5 h GLU 54 Cb -0.03 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.15 3hx5 h GLU 54 CO -0.03 0.40 0.64 -0.07 -1.00 0.00 0.00 179.01 178.95 3hx5 h LEU 55 N -0.03 1.10 -0.70 1.33 3.38 -0.97 0.30 115.31 119.72 3hx5 h LEU 55 Ca 0.04 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.03 3hx5 h LEU 55 Cb 0.30 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 3hx5 h LEU 55 CO 0.00 0.79 0.41 0.00 0.09 0.00 0.00 178.44 179.73 3hx5 h ALA 56 N 1.40 0.94 -0.19 1.53 0.00 -0.22 0.25 119.26 122.97 3hx5 h ALA 56 Ca 0.36 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 55.09 3hx5 h ALA 56 Cb -0.14 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 3hx5 h ALA 56 CO -0.08 0.11 -0.61 1.49 0.00 0.00 0.00 179.25 180.16 3hx5 h GLU 57 N 0.76 0.66 -0.91 0.00 4.57 -0.62 -1.87 114.58 117.16 3hx5 h GLU 57 Ca 0.31 -0.45 0.01 0.00 -1.18 0.00 0.00 59.36 58.04 3hx5 h GLU 57 Cb 0.15 0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 28.76 3hx5 h GLU 57 CO -0.17 1.07 0.60 0.93 -1.18 0.00 0.00 179.01 180.27 3hx5 h GLU 58 N 0.49 1.20 -0.34 1.92 5.08 0.43 0.41 114.58 123.78 3hx5 h GLU 58 Ca -0.01 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.15 3hx5 h GLU 58 Cb 1.19 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 3hx5 h GLU 58 CO 0.12 0.80 -0.32 0.87 -1.00 0.00 0.00 179.01 179.48 3hx5 h LYS 59 N 1.24 0.73 -0.79 2.33 1.79 -0.85 -1.09 116.57 119.93 3hx5 h LYS 59 Ca 0.33 -0.34 0.01 0.00 -2.18 0.00 0.00 60.65 58.47 3hx5 h LYS 59 Cb -0.14 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.46 3hx5 h LYS 59 CO -0.07 0.95 0.52 -0.09 -1.08 0.00 0.00 179.45 179.69 3hx5 h ARG 60 N 0.62 1.03 0.00 3.15 2.43 -0.48 0.40 114.38 121.53 3hx5 h ARG 60 Ca 0.07 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 3hx5 h ARG 60 Cb 0.85 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 30.16 3hx5 h ARG 60 CO 0.07 0.68 -0.13 0.93 -1.51 0.00 0.00 179.97 180.02 3hx5 h GLU 61 N 1.07 0.00 0.51 0.20 5.08 -0.49 -2.34 114.58 118.61 3hx5 h GLU 61 Ca 0.29 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.62 3hx5 h GLU 61 Cb -0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.14 3hx5 h GLU 61 CO -0.06 0.13 -0.24 0.78 -1.00 0.00 0.00 179.01 178.61 3hx5 h GLY 62 N 0.63 -0.71 2.00 -3.84 0.00 0.11 -2.73 103.07 98.52 3hx5 h GLY 62 Ca -0.00 0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.56 3hx5 h GLY 62 CO 0.02 -0.26 -0.17 0.10 0.00 0.00 0.00 176.54 176.23 3hx5 h TYR 63 N -0.96 0.00 -0.27 5.60 -0.00 -1.26 -2.19 116.97 117.88 3hx5 h TYR 63 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.64 3hx5 h TYR 63 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.24 3hx5 h TYR 63 CO 0.03 0.17 0.08 0.93 -0.00 0.00 0.00 178.16 179.37 3hx5 h GLU 64 N 0.00 0.42 -0.29 0.10 5.08 -1.49 0.14 114.58 118.54 3hx5 h GLU 64 Ca -0.00 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 3hx5 h GLU 64 Cb 0.38 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 3hx5 h GLU 64 CO 0.02 0.50 -0.09 -0.09 -1.00 0.00 0.00 179.01 178.34 3hx5 h ARG 65 N 0.27 0.48 -0.01 2.33 2.43 -1.13 -0.62 114.38 118.14 3hx5 h ARG 65 Ca 0.09 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3hx5 h ARG 65 Cb 0.25 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 3hx5 h ARG 65 CO -0.00 0.58 0.00 -0.07 -1.51 0.00 0.00 179.97 178.97 3hx5 h LEU 66 N 0.45 0.01 -1.23 3.80 3.38 -0.98 -1.69 115.31 119.05 3hx5 h LEU 66 Ca 0.09 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.81 3hx5 h LEU 66 Cb 0.44 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 3hx5 h LEU 66 CO 0.02 0.27 0.52 -0.07 0.09 0.00 0.00 178.44 179.28 3hx5 h LEU 67 N -0.25 0.90 -0.12 1.67 3.38 -0.42 0.26 115.31 120.73 3hx5 h LEU 67 Ca 0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hx5 h LEU 67 Cb 0.26 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3hx5 h LEU 67 CO 0.00 0.65 0.07 0.50 0.09 0.00 0.00 178.44 179.75 3hx5 h LYS 68 N 1.06 0.17 -0.72 1.13 1.63 -0.96 -2.40 116.57 116.47 3hx5 h LYS 68 Ca 0.29 -0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 60.01 3hx5 h LYS 68 Cb -0.10 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.46 3hx5 h LYS 68 CO -0.07 0.18 0.21 1.98 -3.45 0.00 0.00 179.45 178.30 3hx5 h MET 69 N 0.12 1.13 -0.19 1.90 4.05 -0.83 -2.43 114.93 118.69 3hx5 h MET 69 Ca 0.04 -0.25 0.05 0.00 -0.28 0.00 0.00 59.70 59.27 3hx5 h MET 69 Cb 0.05 -0.16 -0.07 0.00 -0.80 0.00 0.00 31.60 30.63 3hx5 h MET 69 CO -0.01 0.98 -0.28 0.37 0.23 0.00 0.00 176.91 178.20 3hx5 h GLN 70 N 1.08 -0.31 -0.75 0.39 5.75 -0.62 -1.69 115.11 118.97 3hx5 h GLN 70 Ca 0.23 0.02 -0.05 0.00 -0.15 0.00 0.00 58.65 58.70 3hx5 h GLN 70 Cb 0.33 0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.92 3hx5 h GLN 70 CO -0.00 -0.20 0.26 -0.91 -2.65 0.00 0.00 178.83 175.32 3hx5 h ASN 71 N -0.32 1.07 -0.77 -0.69 4.21 -1.31 -0.96 115.58 116.81 3hx5 h ASN 71 Ca 0.12 -0.19 0.08 0.00 1.21 0.00 0.00 56.30 57.52 3hx5 h ASN 71 Cb 0.50 -0.28 -0.07 0.00 -1.12 0.00 0.00 38.32 37.35 3hx5 h ASN 71 CO -0.37 0.98 0.43 1.56 -1.29 0.00 0.00 177.43 178.74 3hx5 h GLN 72 N 1.11 0.73 -0.07 0.81 4.20 -0.89 -2.69 115.11 118.32 3hx5 h GLN 72 Ca 0.25 -0.04 -0.20 0.00 0.06 0.00 0.00 58.65 58.71 3hx5 h GLN 72 Cb 0.27 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 3hx5 h GLN 72 CO -0.01 0.48 -0.78 0.00 -0.67 0.00 0.00 178.83 177.85 3hx5 h ARG 73 N 0.75 0.45 0.00 1.46 2.47 -1.13 -3.48 114.38 114.91 3hx5 h ARG 73 Ca 0.36 -0.39 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 3hx5 h ARG 73 Cb 0.29 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 3hx5 h ARG 73 CO -0.22 1.03 0.00 0.41 0.56 0.00 0.00 179.97 181.75 3hx5 n GLY 74 N 0.66 0.62 3.80 0.04 0.00 -0.98 -3.49 105.19 105.83 3hx5 n GLY 74 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.30 2.32 -0.18 -0.02 0.00 -0.40 -4.71 107.32 104.03 3hx5 s GLY 75 Ca 0.00 0.50 -0.03 0.00 0.00 0.00 0.00 44.72 45.19 3hx5 s GLY 75 CO 0.00 0.82 -0.05 0.50 0.00 0.00 0.00 173.10 174.38 3hx5 s ARG 76 N -3.67 3.54 0.24 2.90 1.81 -1.26 -3.91 118.95 118.59 3hx5 s ARG 76 Ca 0.66 -0.58 -0.30 0.00 -1.72 0.00 0.00 55.73 53.79 3hx5 s ARG 76 Cb -0.16 -2.92 -0.09 0.00 -0.45 0.00 0.00 34.95 31.32 3hx5 s ARG 76 CO 0.29 0.08 1.22 0.00 -0.68 0.00 0.00 175.30 176.21 3hx5 s ALA 77 N 0.78 3.46 -0.05 2.13 0.00 -1.26 -5.00 121.76 121.82 3hx5 s ALA 77 Ca -0.02 1.04 -0.01 0.00 0.00 0.00 0.00 51.96 52.97 3hx5 s ALA 77 Cb -0.15 -3.42 0.03 0.00 0.00 0.00 0.00 23.12 19.58 3hx5 s ALA 77 CO 0.02 -0.42 0.01 -0.51 0.00 0.00 0.00 175.76 174.86 3hx5 s LEU 78 N -0.74 0.63 0.01 0.00 1.43 -1.26 -5.14 118.68 113.61 3hx5 s LEU 78 Ca 0.51 -0.04 -0.04 0.00 -1.03 0.00 0.00 54.13 53.53 3hx5 s LEU 78 Cb -0.35 -0.33 -0.04 0.00 0.03 0.00 0.00 46.19 45.50 3hx5 s LEU 78 CO 0.41 -0.18 0.24 -0.36 0.23 0.00 0.00 176.35 176.68 3hx5 s PHE 79 N 1.78 3.56 0.24 0.29 0.08 -1.26 -4.88 117.98 117.78 3hx5 s PHE 79 Ca 0.01 0.47 0.10 0.00 0.12 0.00 0.00 56.93 57.63 3hx5 s PHE 79 Cb -0.13 -1.91 -0.05 0.00 -0.57 0.00 0.00 43.02 40.36 3hx5 s PHE 79 CO -0.04 0.61 -0.18 -0.65 -0.10 0.00 0.00 175.22 174.86 3hx5 s GLN 80 N -1.93 1.51 0.53 0.44 1.11 -1.26 -5.11 119.66 114.95 3hx5 s GLN 80 Ca 0.29 -1.66 -0.21 0.00 0.01 0.00 0.00 55.36 53.79 3hx5 s GLN 80 Cb -0.13 -1.52 -0.07 0.00 -1.01 0.00 0.00 33.01 30.28 3hx5 s GLN 80 CO 0.18 0.28 1.05 -0.25 0.01 0.00 0.00 175.29 176.57 3hx5 n ASP 81 N -0.39 1.28 -4.47 5.90 10.43 -1.26 -4.95 116.55 123.10 3hx5 n ASP 81 Ca -0.07 0.91 -0.43 0.00 2.57 0.00 0.00 54.79 57.77 3hx5 n ASP 81 Cb 0.60 -1.41 -0.10 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 -1.40 5.21 0.41 0.53 1.01 -1.26 -5.06 121.20 120.64 3hx5 s ILE 82 Ca 0.71 -0.57 -0.26 0.00 0.00 0.00 0.00 60.65 60.53 3hx5 s ILE 82 Cb -0.46 -3.96 -0.09 0.00 0.01 0.00 0.00 42.46 37.97 3hx5 s ILE 82 CO 0.51 -0.34 1.32 -0.54 0.00 0.00 0.00 174.94 175.89 3hx5 s LYS 83 N 1.81 3.94 0.84 2.79 1.02 -1.26 -5.00 119.74 123.88 3hx5 s LYS 83 Ca 0.07 2.20 -0.11 0.00 0.02 0.00 0.00 55.97 58.15 3hx5 s LYS 83 Cb -0.18 -2.75 0.10 0.00 -0.52 0.00 0.00 37.83 34.47 3hx5 s LYS 83 CO 0.11 -0.53 1.10 -1.59 -0.92 0.00 0.00 175.35 173.52 3hx5 s LYS 84 N -2.26 1.68 0.50 1.68 -2.85 -1.26 -4.89 119.74 112.35 3hx5 s LYS 84 Ca 0.57 1.22 -0.23 0.00 -1.00 0.00 0.00 55.97 56.53 3hx5 s LYS 84 Cb -0.39 -1.83 -0.07 0.00 -2.06 0.00 0.00 37.83 33.48 3hx5 s LYS 84 CO 0.50 -2.06 1.24 -2.30 0.10 0.00 0.00 175.35 172.83 3hx5 n PRO 85 N -3.81 1.63 0.20 1.78 -0.02 -1.26 -4.89 135.00 128.63 3hx5 n PRO 85 Ca 0.09 0.59 0.17 0.00 -2.02 0.00 0.00 63.50 62.34 3hx5 n PRO 85 Cb 0.53 -2.41 0.82 0.00 -0.02 0.00 0.00 33.50 32.42 3hx5 n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hx5 h ALA 86 N 1.53 1.83 -2.13 3.55 0.00 -1.97 -3.43 119.26 118.63 3hx5 h ALA 86 Ca -0.49 -0.01 -0.43 0.00 0.00 0.00 0.00 54.91 53.98 3hx5 h ALA 86 Cb 1.31 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.98 3hx5 h ALA 86 CO 0.57 -0.30 -0.63 -1.21 0.00 0.00 0.00 179.25 177.68 3hx5 s GLU 87 N -4.65 1.53 -0.01 0.00 0.41 -1.26 -5.03 118.70 109.68 3hx5 s GLU 87 Ca -0.05 -1.82 0.03 0.00 -0.41 0.00 0.00 54.97 52.72 3hx5 s GLU 87 Cb 0.15 -0.72 -0.05 0.00 -1.78 0.00 0.00 34.13 31.74 3hx5 s GLU 87 CO 0.55 -0.17 0.06 -0.25 -0.49 0.00 0.00 175.26 174.96 3hx5 n ASP 88 N -0.57 4.24 -3.73 -0.19 8.00 -1.26 -4.97 116.55 118.06 3hx5 n ASP 88 Ca -0.03 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.32 3hx5 n ASP 88 Cb 0.66 1.01 -0.16 0.00 -0.02 0.00 0.00 41.12 42.61 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 -2.19 0.02 -0.23 -1.24 2.02 -1.26 -4.99 118.70 110.82 3hx5 s GLU 89 Ca -0.01 0.35 0.14 0.00 0.02 0.00 0.00 54.97 55.47 3hx5 s GLU 89 Cb 0.02 -0.26 0.79 0.00 0.10 0.00 0.00 34.13 34.78 3hx5 s GLU 89 CO 0.14 -0.21 1.72 0.91 0.02 0.00 0.00 175.26 177.83 3hx5 n TRP 90 N 4.52 1.96 0.00 1.61 7.02 -1.26 -5.06 117.44 126.23 3hx5 n TRP 90 Ca -0.21 -0.75 0.00 0.00 -1.02 0.00 0.00 57.50 55.53 3hx5 n TRP 90 Cb 0.51 -0.49 0.00 0.00 -2.42 0.00 0.00 31.31 28.90 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 0.48 3.64 3.98 6.99 0.00 -1.26 -3.62 105.19 115.40 3hx5 n GLY 91 Ca 0.27 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 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 3.28 0.25 1.61 1.02 -1.26 -4.95 119.74 119.69 3hx5 s LYS 92 Ca 0.00 -0.84 -0.13 0.00 0.02 0.00 0.00 55.97 55.02 3hx5 s LYS 92 Cb 0.00 -2.84 0.34 0.00 -0.52 0.00 0.00 37.83 34.82 3hx5 s LYS 92 CO 0.00 0.22 1.57 1.15 -0.92 0.00 0.00 175.35 177.37 3hx5 h THR 93 N 0.99 0.05 -1.00 2.17 2.02 -2.00 -1.05 112.91 114.10 3hx5 h THR 93 Ca -0.49 0.00 0.04 0.00 0.77 0.00 0.00 66.41 66.74 3hx5 h THR 93 Cb 1.24 0.05 -0.06 0.00 -1.74 0.00 0.00 68.15 67.64 3hx5 h THR 93 CO 0.57 0.00 0.65 -0.65 0.37 0.00 0.00 175.52 176.46 3hx5 h PRO 94 N -0.01 1.20 0.09 6.66 0.11 -1.95 -0.68 132.00 137.42 3hx5 h PRO 94 Ca 0.40 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.43 3hx5 h PRO 94 Cb 0.65 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 31.49 3hx5 h PRO 94 CO -0.95 0.79 -0.04 -0.44 -0.21 0.00 0.00 178.00 177.15 3hx5 h ASP 95 N 1.24 -0.11 -0.50 -2.05 5.19 -1.49 -1.52 116.42 117.17 3hx5 h ASP 95 Ca 0.41 -0.19 0.05 0.00 -0.62 0.00 0.00 57.03 56.67 3hx5 h ASP 95 Cb 0.05 0.03 -0.05 0.00 0.18 0.00 0.00 39.33 39.54 3hx5 h ASP 95 CO -0.14 0.14 0.24 0.00 -3.12 0.00 0.00 179.24 176.36 3hx5 h ALA 96 N 0.54 0.64 -0.66 3.45 0.00 -1.16 -0.20 119.26 121.86 3hx5 h ALA 96 Ca -0.01 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.97 3hx5 h ALA 96 Cb 0.29 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 3hx5 h ALA 96 CO 0.02 -0.12 0.39 1.98 0.00 0.00 0.00 179.25 181.52 3hx5 h MET 97 N 0.47 0.72 -0.60 0.00 -1.53 -1.03 0.96 114.93 113.92 3hx5 h MET 97 Ca 0.23 -0.04 -0.05 0.00 -3.44 0.00 0.00 59.70 56.39 3hx5 h MET 97 Cb 0.16 -0.16 -0.02 0.00 -0.55 0.00 0.00 31.60 31.02 3hx5 h MET 97 CO -0.17 0.47 0.16 0.87 0.14 0.00 0.00 176.91 178.38 3hx5 h LYS 98 N 0.74 0.94 -0.77 0.39 1.57 -0.49 0.69 116.57 119.63 3hx5 h LYS 98 Ca 0.28 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3hx5 h LYS 98 Cb 0.11 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 3hx5 h LYS 98 CO -0.15 0.86 0.47 0.00 -0.57 0.00 0.00 179.45 180.06 3hx5 h ALA 99 N 1.04 0.99 -0.32 3.86 0.00 -0.18 -0.80 119.26 123.85 3hx5 h ALA 99 Ca 0.19 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3hx5 h ALA 99 Cb 0.32 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3hx5 h ALA 99 CO -0.00 0.46 0.06 0.00 0.00 0.00 0.00 179.25 179.76 3hx5 h ALA 100 N 1.25 0.43 -0.24 0.00 0.00 -0.49 -1.30 119.26 118.91 3hx5 h ALA 100 Ca 0.28 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.05 3hx5 h ALA 100 Cb -0.04 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 3hx5 h ALA 100 CO -0.05 0.12 -0.19 1.98 0.00 0.00 0.00 179.25 181.11 3hx5 h MET 101 N 0.37 -0.18 -0.33 0.00 -1.53 -0.38 0.26 114.93 113.14 3hx5 h MET 101 Ca 0.10 0.01 0.02 0.00 -3.44 0.00 0.00 59.70 56.39 3hx5 h MET 101 Cb 0.34 0.04 -0.03 0.00 -0.55 0.00 0.00 31.60 31.40 3hx5 h MET 101 CO 0.01 -0.12 0.17 0.00 0.14 0.00 0.00 176.91 177.10 3hx5 h ALA 102 N 0.92 0.41 -0.99 0.39 0.00 -1.01 0.66 119.26 119.65 3hx5 h ALA 102 Ca 0.14 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.12 3hx5 h ALA 102 Cb 0.39 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 3hx5 h ALA 102 CO -0.35 -0.20 0.64 1.25 0.00 0.00 0.00 179.25 180.59 3hx5 h LEU 103 N 0.35 1.01 -0.26 0.00 5.85 -0.61 0.31 115.31 121.96 3hx5 h LEU 103 Ca 0.14 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 3hx5 h LEU 103 Cb 0.04 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 3hx5 h LEU 103 CO -0.09 0.64 -0.01 -0.33 -0.34 0.00 0.00 178.44 178.30 3hx5 h GLU 104 N 1.14 0.47 -0.88 1.25 4.39 -0.18 -1.34 114.58 119.43 3hx5 h GLU 104 Ca 0.43 -0.16 0.01 0.00 0.34 0.00 0.00 59.36 59.99 3hx5 h GLU 104 Cb 0.20 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.77 3hx5 h GLU 104 CO -0.18 0.65 0.58 0.87 -1.16 0.00 0.00 179.01 179.77 3hx5 h LYS 105 N 0.24 1.14 -0.18 2.33 1.57 0.10 0.20 116.57 121.98 3hx5 h LYS 105 Ca 0.07 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3hx5 h LYS 105 Cb 0.44 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3hx5 h LYS 105 CO 0.02 0.76 0.06 -0.22 -0.57 0.00 0.00 179.45 179.49 3hx5 h LYS 106 N 1.18 0.14 -0.18 3.15 3.64 -0.19 -1.17 116.57 123.14 3hx5 h LYS 106 Ca 0.33 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.68 3hx5 h LYS 106 Cb -0.12 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 3hx5 h LYS 106 CO -0.08 0.10 0.04 -0.07 -2.27 0.00 0.00 179.45 177.17 3hx5 h LEU 107 N 0.15 0.27 -0.72 5.20 3.38 -0.66 -2.41 115.31 120.51 3hx5 h LEU 107 Ca 0.08 -0.23 0.13 0.00 0.09 0.00 0.00 57.88 57.95 3hx5 h LEU 107 Cb 0.05 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 40.64 3hx5 h LEU 107 CO -0.08 0.43 0.29 -1.13 0.09 0.00 0.00 178.44 178.03 3hx5 h ASN 108 N 0.10 0.28 -0.15 -0.43 -0.73 -0.39 -0.55 115.58 113.70 3hx5 h ASN 108 Ca 0.06 0.10 0.00 0.00 1.87 0.00 0.00 56.30 58.33 3hx5 h ASN 108 Cb 0.26 0.07 -0.01 0.00 0.27 0.00 0.00 38.32 38.92 3hx5 h ASN 108 CO 0.00 0.13 0.10 -0.61 -0.37 0.00 0.00 177.43 176.68 3hx5 h GLN 109 N 0.45 0.20 -0.94 6.67 5.75 -1.05 -0.62 115.11 125.58 3hx5 h GLN 109 Ca 0.39 -0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.94 3hx5 h GLN 109 Cb 0.55 -0.05 -0.06 0.00 1.07 0.00 0.00 27.48 28.99 3hx5 h GLN 109 CO -0.37 0.14 0.61 0.00 -2.65 0.00 0.00 178.83 176.56 3hx5 h ALA 110 N 1.05 1.49 -0.22 3.38 0.00 -0.74 0.15 119.26 124.36 3hx5 h ALA 110 Ca 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3hx5 h ALA 110 Cb -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3hx5 h ALA 110 CO -0.01 0.37 0.05 -0.07 0.00 0.00 0.00 179.25 179.58 3hx5 h LEU 111 N 1.07 0.35 -0.99 0.00 3.38 -0.58 -1.45 115.31 117.09 3hx5 h LEU 111 Ca 0.41 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3hx5 h LEU 111 Cb 0.22 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 3hx5 h LEU 111 CO -0.16 0.50 0.43 -0.07 0.09 0.00 0.00 178.44 179.23 3hx5 h LEU 112 N 0.18 1.02 -0.29 1.67 3.38 -0.24 -0.28 115.31 120.75 3hx5 h LEU 112 Ca 0.07 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3hx5 h LEU 112 Cb 0.30 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3hx5 h LEU 112 CO 0.00 0.83 0.15 0.44 0.09 0.00 0.00 178.44 179.96 3hx5 h ASP 113 N 1.14 0.36 -0.56 -0.43 3.45 -0.51 -1.43 116.42 118.44 3hx5 h ASP 113 Ca 0.29 -0.10 -0.05 0.00 0.43 0.00 0.00 57.03 57.60 3hx5 h ASP 113 Cb 0.05 -0.09 -0.03 0.00 -0.56 0.00 0.00 39.33 38.70 3hx5 h ASP 113 CO -0.04 0.36 0.17 0.25 -1.57 0.00 0.00 179.24 178.41 3hx5 h LEU 114 N 0.35 0.85 -0.28 1.55 5.85 -0.78 -0.12 115.31 122.73 3hx5 h LEU 114 Ca 0.10 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 3hx5 h LEU 114 Cb 0.08 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 3hx5 h LEU 114 CO -0.02 0.81 0.17 -0.74 -0.34 0.00 0.00 178.44 178.33 3hx5 h HIS 115 N 0.89 0.36 -0.78 1.25 2.76 -0.64 0.11 115.15 119.10 3hx5 h HIS 115 Ca 0.20 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.34 3hx5 h HIS 115 Cb 0.28 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 29.08 3hx5 h HIS 115 CO 0.02 0.26 0.38 0.00 -1.30 0.00 0.00 177.93 177.28 3hx5 h ALA 116 N 1.07 1.20 -0.79 5.26 0.00 -0.87 -0.80 119.26 124.33 3hx5 h ALA 116 Ca 0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3hx5 h ALA 116 Cb -0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 3hx5 h ALA 116 CO -0.02 0.61 0.35 1.25 0.00 0.00 0.00 179.25 181.45 3hx5 h LEU 117 N 1.11 1.05 -0.93 0.00 5.85 -0.35 -1.62 115.31 120.42 3hx5 h LEU 117 Ca 0.27 -0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 3hx5 h LEU 117 Cb 0.10 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 3hx5 h LEU 117 CO -0.04 0.91 -0.07 1.23 -0.34 0.00 0.00 178.44 180.13 3hx5 h GLY 118 N 1.13 0.76 0.95 3.75 0.00 -0.07 -1.94 103.07 107.64 3hx5 h GLY 118 Ca 0.27 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 3hx5 h GLY 118 CO -0.03 0.49 -0.26 1.76 0.00 0.00 0.00 176.54 178.51 3hx5 h SER 119 N 0.65 -0.60 -0.91 0.19 0.02 -0.50 0.37 113.55 112.76 3hx5 h SER 119 Ca 0.12 -0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.13 3hx5 h SER 119 Cb 0.51 0.16 -0.06 0.00 0.14 0.00 0.00 62.40 63.15 3hx5 h SER 119 CO 0.03 -0.39 0.59 0.00 -1.14 0.00 0.00 176.83 175.92 3hx5 h ALA 120 N -0.33 1.50 -0.31 3.77 0.00 -1.26 0.70 119.26 123.33 3hx5 h ALA 120 Ca -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3hx5 h ALA 120 Cb 0.57 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3hx5 h ALA 120 CO 0.12 0.37 0.00 0.54 0.00 0.00 0.00 179.25 180.28 3hx5 n ARG 121 N -4.49 1.75 -3.96 0.00 5.12 -0.74 -4.94 116.66 109.40 3hx5 n ARG 121 Ca 0.14 -1.12 -0.41 0.00 -1.93 0.00 0.00 57.85 54.52 3hx5 n ARG 121 Cb 0.19 -1.26 0.02 0.00 -1.16 0.00 0.00 32.46 30.25 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 0.40 -3.52 -3.70 0.55 -2.24 0.25 -4.94 114.28 101.08 3hx5 n THR 122 Ca 0.10 -0.61 -0.37 0.00 -2.27 0.00 0.00 64.05 60.90 3hx5 n THR 122 Cb 0.27 -2.84 -0.09 0.00 -2.10 0.00 0.00 70.33 65.57 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 -3.45 5.34 0.16 3.42 -1.08 0.10 -4.95 116.67 116.20 3hx5 s ASP 123 Ca 0.44 -2.68 -0.12 0.00 -0.52 0.00 0.00 52.55 49.66 3hx5 s ASP 123 Cb -0.22 -1.87 0.04 0.00 -1.46 0.00 0.00 42.92 39.41 3hx5 s ASP 123 CO 0.94 -0.42 1.66 1.55 0.52 0.00 0.00 175.17 179.42 3hx5 h PRO 124 N 7.28 0.88 -0.47 4.34 0.13 -1.92 -2.77 132.00 139.46 3hx5 h PRO 124 Ca -0.04 -0.22 0.04 0.00 -0.87 0.00 0.00 66.00 64.91 3hx5 h PRO 124 Cb 0.98 -0.11 -0.04 0.00 0.13 0.00 0.00 31.00 31.95 3hx5 h PRO 124 CO 0.72 0.84 0.23 1.25 -0.23 0.00 0.00 178.00 180.82 3hx5 h HIS 125 N 0.78 0.43 -0.44 1.56 6.17 -1.98 0.98 115.15 122.65 3hx5 h HIS 125 Ca 0.17 0.02 -0.05 0.00 0.71 0.00 0.00 60.37 61.21 3hx5 h HIS 125 Cb 0.37 -0.12 -0.02 0.00 2.52 0.00 0.00 27.41 30.16 3hx5 h HIS 125 CO 0.03 0.21 0.06 1.25 0.71 0.00 0.00 177.93 180.19 3hx5 h LEU 126 N 0.46 0.70 -0.42 0.26 5.85 -1.96 0.16 115.31 120.35 3hx5 h LEU 126 Ca 0.21 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 3hx5 h LEU 126 Cb 0.12 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 3hx5 h LEU 126 CO -0.15 0.79 0.24 0.00 -0.34 0.00 0.00 178.44 178.98 3hx5 h ASP 128 N 0.55 0.29 -0.42 0.00 3.58 -0.59 -0.90 116.42 118.93 3hx5 h ASP 128 Ca 0.15 0.00 0.06 0.00 0.42 0.00 0.00 57.03 57.66 3hx5 h ASP 128 Cb 0.02 -0.06 -0.05 0.00 1.72 0.00 0.00 39.33 40.96 3hx5 h ASP 128 CO -0.03 0.21 0.12 0.15 -2.88 0.00 0.00 179.24 176.81 3hx5 h PHE 129 N 0.36 0.20 -0.31 0.28 3.04 -0.35 -1.07 116.94 119.08 3hx5 h PHE 129 Ca 0.12 0.02 -0.13 0.00 3.98 0.00 0.00 57.97 61.96 3hx5 h PHE 129 Cb -0.01 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.47 3hx5 h PHE 129 CO -0.07 0.05 -0.34 -0.07 -2.02 0.00 0.00 178.31 175.86 3hx5 h LEU 130 N 0.26 0.72 0.21 0.59 3.38 -1.01 -2.09 115.31 117.38 3hx5 h LEU 130 Ca 0.20 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3hx5 h LEU 130 Cb 0.22 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3hx5 h LEU 130 CO -0.24 1.00 -0.10 -0.33 0.09 0.00 0.00 178.44 178.86 3hx5 h GLU 131 N 0.58 -0.28 -0.07 1.13 5.08 -0.65 -0.83 114.58 119.56 3hx5 h GLU 131 Ca 0.06 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3hx5 h GLU 131 Cb 0.86 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 3hx5 h GLU 131 CO 0.07 -0.18 0.02 1.15 -1.00 0.00 0.00 179.01 179.07 3hx5 h THR 132 N -0.29 1.17 0.00 1.13 2.02 -1.18 -3.37 112.91 112.40 3hx5 h THR 132 Ca -0.03 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.65 3hx5 h THR 132 Cb 0.22 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 3hx5 h THR 132 CO 0.04 0.14 -1.28 1.41 0.37 0.00 0.00 175.52 176.21 3hx5 n HIS 133 N -4.93 0.00 0.02 3.16 8.25 -0.79 -4.87 115.22 116.06 3hx5 n HIS 133 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 3hx5 n HIS 133 Cb 0.13 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.05 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 -1.74 -0.02 -0.10 4.41 3.72 -0.44 -4.66 117.46 118.63 3hx5 n PHE 134 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 3hx5 n PHE 134 Cb 0.36 0.01 -0.09 0.00 -0.94 0.00 0.00 39.48 38.82 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 -1.71 -0.97 4.37 3.38 -1.38 -0.57 115.31 118.43 3hx5 h LEU 135 Ca 0.00 0.23 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 3hx5 h LEU 135 Cb 0.59 0.70 -0.03 0.00 0.09 0.00 0.00 40.66 42.02 3hx5 h LEU 135 CO 0.00 -0.42 0.21 -0.78 0.09 0.00 0.00 178.44 177.54 3hx5 h ASP 136 N -0.44 0.89 -0.90 -0.43 -0.00 -1.83 -2.34 116.42 111.37 3hx5 h ASP 136 Ca 0.08 -0.15 -0.01 0.00 -0.00 0.00 0.00 57.03 56.96 3hx5 h ASP 136 Cb 0.62 -0.23 -0.04 0.00 -0.00 0.00 0.00 39.33 39.68 3hx5 h ASP 136 CO -0.54 0.83 0.54 -0.33 -0.00 0.00 0.00 179.24 179.73 3hx5 h GLU 137 N 0.93 1.22 0.31 0.28 4.39 -1.71 -1.46 114.58 118.55 3hx5 h GLU 137 Ca 0.21 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 3hx5 h GLU 137 Cb 0.25 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3hx5 h GLU 137 CO -0.01 0.86 -0.15 0.93 -1.16 0.00 0.00 179.01 179.48 3hx5 h GLU 138 N 1.24 -0.41 -0.48 2.33 4.39 -0.77 -1.73 114.58 119.15 3hx5 h GLU 138 Ca 0.32 0.03 0.09 0.00 0.34 0.00 0.00 59.36 60.14 3hx5 h GLU 138 Cb -0.04 0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 28.63 3hx5 h GLU 138 CO -0.06 -0.11 0.05 0.28 -1.16 0.00 0.00 179.01 178.01 3hx5 h VAL 139 N -0.70 0.67 -0.77 3.13 2.07 -1.29 0.32 116.25 119.68 3hx5 h VAL 139 Ca -0.04 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 3hx5 h VAL 139 Cb 0.48 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 3hx5 h VAL 139 CO 0.07 0.03 0.32 0.11 0.02 0.00 0.00 177.57 178.12 3hx5 h LYS 140 N 0.17 1.14 -0.28 1.57 1.57 -1.29 0.09 116.57 119.53 3hx5 h LYS 140 Ca 0.24 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 3hx5 h LYS 140 Cb 0.35 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3hx5 h LYS 140 CO -0.36 0.91 -0.05 1.25 -0.57 0.00 0.00 179.45 180.63 3hx5 h LEU 141 N 1.11 0.54 -0.17 2.94 5.85 -0.21 -1.07 115.31 124.31 3hx5 h LEU 141 Ca 0.26 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.63 3hx5 h LEU 141 Cb 0.19 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3hx5 h LEU 141 CO -0.02 0.77 0.11 0.40 -0.34 0.00 0.00 178.44 179.35 3hx5 h ILE 142 N 0.30 1.06 -0.53 4.05 2.04 -0.11 0.03 117.51 124.35 3hx5 h ILE 142 Ca 0.07 -0.12 0.09 0.00 1.00 0.00 0.00 64.86 65.90 3hx5 h ILE 142 Cb 0.52 0.84 -0.07 0.00 -0.74 0.00 0.00 36.82 37.37 3hx5 h ILE 142 CO 0.03 0.05 0.13 0.50 0.00 0.00 0.00 178.15 178.86 3hx5 h LYS 143 N 0.21 0.27 -0.70 2.37 1.63 -0.89 0.24 116.57 119.70 3hx5 h LYS 143 Ca 0.06 -0.02 0.02 0.00 -0.85 0.00 0.00 60.65 59.86 3hx5 h LYS 143 Cb -0.01 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.52 3hx5 h LYS 143 CO -0.01 0.18 0.45 -0.22 -3.45 0.00 0.00 179.45 176.40 3hx5 h LYS 144 N 0.28 0.88 -0.47 1.90 3.64 -0.51 -1.64 116.57 120.65 3hx5 h LYS 144 Ca 0.27 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 59.46 3hx5 h LYS 144 Cb 0.35 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3hx5 h LYS 144 CO -0.32 0.58 -0.24 0.52 -2.27 0.00 0.00 179.45 177.72 3hx5 h MET 145 N 0.91 1.00 -0.78 1.90 2.86 0.25 -2.68 114.93 118.39 3hx5 h MET 145 Ca 0.27 -0.44 0.03 0.00 -2.06 0.00 0.00 59.70 57.50 3hx5 h MET 145 Cb -0.05 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.54 3hx5 h MET 145 CO -0.08 1.12 0.49 0.78 1.06 0.00 0.00 176.91 180.28 3hx5 h GLY 146 N 0.85 1.13 1.12 8.32 0.00 0.01 -1.33 103.07 113.18 3hx5 h GLY 146 Ca 0.10 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 3hx5 h GLY 146 CO 0.07 0.32 0.20 -0.55 0.00 0.00 0.00 176.54 176.57 3hx5 h ASP 147 N 0.96 1.03 -0.58 0.19 3.32 -1.21 -1.83 116.42 118.30 3hx5 h ASP 147 Ca 0.31 -0.20 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 3hx5 h ASP 147 Cb 0.02 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 3hx5 h ASP 147 CO -0.11 0.97 0.16 0.45 -1.72 0.00 0.00 179.24 178.98 3hx5 h HIS 148 N 1.05 0.96 -0.35 4.55 3.86 -1.07 -1.29 115.15 122.85 3hx5 h HIS 148 Ca 0.22 -0.11 0.01 0.00 -1.16 0.00 0.00 60.37 59.34 3hx5 h HIS 148 Cb 0.32 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 3hx5 h HIS 148 CO 0.03 0.81 0.21 -0.07 0.86 0.00 0.00 177.93 179.77 3hx5 h LEU 149 N 0.83 0.34 -0.99 2.43 3.38 -0.90 0.20 115.31 120.60 3hx5 h LEU 149 Ca 0.18 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.17 3hx5 h LEU 149 Cb 0.32 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 3hx5 h LEU 149 CO -0.00 0.24 0.65 0.74 0.09 0.00 0.00 178.44 180.17 3hx5 h THR 150 N 0.42 1.25 -0.16 0.22 2.02 -1.10 -0.24 112.91 115.32 3hx5 h THR 150 Ca 0.14 -0.46 -0.17 0.00 0.77 0.00 0.00 66.41 66.69 3hx5 h THR 150 Cb 0.00 -0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 66.21 3hx5 h THR 150 CO -0.06 0.24 -0.61 0.78 0.37 0.00 0.00 175.52 176.24 3hx5 h ASN 151 N 1.33 0.62 -0.41 4.18 2.35 -0.59 -1.77 115.58 121.29 3hx5 h ASN 151 Ca 0.36 -0.36 -0.15 0.00 -0.55 0.00 0.00 56.30 55.61 3hx5 h ASN 151 Cb -0.15 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.03 3hx5 h ASN 151 CO -0.08 1.08 -0.33 -0.07 -1.65 0.00 0.00 177.43 176.38 3hx5 h LEU 152 N 0.41 1.00 -0.39 1.61 3.38 -0.19 -2.68 115.31 118.45 3hx5 h LEU 152 Ca -0.01 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 3hx5 h LEU 152 Cb 1.17 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 3hx5 h LEU 152 CO 0.11 1.23 0.21 -0.74 0.09 0.00 0.00 178.44 179.35 3hx5 h HIS 153 N 0.79 0.53 -0.10 1.13 2.76 -1.02 -2.90 115.15 116.34 3hx5 h HIS 153 Ca 0.08 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 3hx5 h HIS 153 Cb 0.92 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.70 3hx5 h HIS 153 CO 0.06 0.41 0.00 -0.09 -1.30 0.00 0.00 177.93 177.01 3hx5 h ARG 154 N 0.49 0.13 0.00 5.26 2.43 -1.21 -3.06 114.38 118.42 3hx5 h ARG 154 Ca 0.14 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3hx5 h ARG 154 Cb 0.05 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 3hx5 h ARG 154 CO -0.02 0.15 0.00 1.28 -1.51 0.00 0.00 179.97 179.87 3hx5 n LEU 155 N -4.45 0.00 0.00 3.80 4.77 -1.02 -4.33 117.00 115.76 3hx5 n LEU 155 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 3hx5 n LEU 155 Cb 0.14 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3hx5 n LEU 155 CO 0.35 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 3hx5 n GLY 156 N -0.26 -0.44 0.06 -0.72 0.00 -1.16 -5.13 105.19 97.55 3hx5 n GLY 156 Ca 0.02 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.20 3hx5 n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93