#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 6.41 0.00 6.43 0.15 -1.26 -4.98 113.70 120.45 3hx5 s SER 3 Ca 0.00 0.48 0.07 0.00 0.70 0.00 0.00 55.95 57.19 3hx5 s SER 3 Cb 0.00 -2.21 0.29 0.00 -1.71 0.00 0.00 66.02 62.39 3hx5 s SER 3 CO 0.00 -0.03 1.18 0.00 1.20 0.00 0.00 173.24 175.59 3hx5 n GLN 4 N 4.27 0.02 -0.00 5.44 10.64 -1.26 -2.32 117.38 134.17 3hx5 n GLN 4 Ca -0.10 0.35 0.02 0.00 -1.83 0.00 0.00 57.00 55.44 3hx5 n GLN 4 Cb 0.51 -1.50 -0.03 0.00 -0.86 0.00 0.00 30.24 28.36 3hx5 n GLN 4 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.06 175.67 3hx5 n ILE 5 N -1.45 0.00 -1.66 -0.39 -5.35 -1.26 -5.05 119.36 104.21 3hx5 n ILE 5 Ca 0.02 -0.14 -0.46 0.00 -0.27 0.00 0.00 62.75 61.90 3hx5 n ILE 5 Cb 0.07 0.47 -0.03 0.00 -1.74 0.00 0.00 39.64 38.41 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 -1.59 1.91 -3.54 6.28 0.63 -0.98 -4.87 116.66 114.50 3hx5 n ARG 6 Ca -0.01 0.68 -0.00 0.00 -0.92 0.00 0.00 57.85 57.61 3hx5 n ARG 6 Cb 0.11 -2.33 -0.04 0.00 0.45 0.00 0.00 32.46 30.65 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 -0.19 0.45 -1.30 -0.14 0.74 -1.26 -4.93 119.66 113.02 3hx5 s GLN 7 Ca 0.71 1.12 -0.01 0.00 0.05 0.00 0.00 55.36 57.23 3hx5 s GLN 7 Cb -0.69 0.66 0.00 0.00 1.10 0.00 0.00 33.01 34.08 3hx5 s GLN 7 CO 0.48 -0.15 0.09 -1.71 -0.55 0.00 0.00 175.29 173.45 3hx5 n ASN 8 N 5.19 -4.74 -3.99 6.67 5.15 -1.26 -4.98 115.26 117.30 3hx5 n ASN 8 Ca -0.11 -0.05 -0.31 0.00 -0.60 0.00 0.00 54.58 53.50 3hx5 n ASN 8 Cb 0.51 -3.81 -0.14 0.00 -0.53 0.00 0.00 39.78 35.81 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 -2.83 3.35 0.34 1.20 5.04 -1.26 -4.80 117.35 118.40 3hx5 s TYR 9 Ca 0.04 -3.06 -0.29 0.00 -2.44 0.00 0.00 57.07 51.33 3hx5 s TYR 9 Cb -0.02 -2.90 -0.11 0.00 0.35 0.00 0.00 41.96 39.28 3hx5 s TYR 9 CO 0.06 -0.81 1.47 -1.54 -1.34 0.00 0.00 175.55 173.39 3hx5 s SER 10 N 0.16 6.47 0.56 4.32 1.04 -1.26 -4.86 113.70 120.13 3hx5 s SER 10 Ca 0.15 2.92 0.37 0.00 0.48 0.00 0.00 55.95 59.87 3hx5 s SER 10 Cb -0.24 -2.65 2.01 0.00 0.10 0.00 0.00 66.02 65.24 3hx5 s SER 10 CO -0.02 -0.79 2.13 0.71 0.98 0.00 0.00 173.24 176.24 3hx5 h THR 11 N 3.13 0.00 -0.23 2.02 1.35 -1.99 0.00 112.91 117.19 3hx5 h THR 11 Ca -0.49 0.00 -0.14 0.00 -0.55 0.00 0.00 66.41 65.23 3hx5 h THR 11 Cb 1.23 0.82 -0.00 0.00 -1.73 0.00 0.00 68.15 68.47 3hx5 h THR 11 CO 0.69 0.00 -0.40 0.44 -0.25 0.00 0.00 175.52 176.00 3hx5 h ASP 12 N 0.00 0.75 -0.11 5.36 3.45 -1.99 -2.47 116.42 121.41 3hx5 h ASP 12 Ca 0.00 -0.53 -0.12 0.00 0.43 0.00 0.00 57.03 56.81 3hx5 h ASP 12 Cb 0.03 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 38.59 3hx5 h ASP 12 CO 0.00 1.14 -0.41 0.58 -1.57 0.00 0.00 179.24 178.98 3hx5 h VAL 13 N 0.39 1.38 -0.42 -1.35 2.07 -1.40 -2.41 116.25 114.51 3hx5 h VAL 13 Ca 0.02 -1.74 0.08 0.00 0.82 0.00 0.00 66.70 65.88 3hx5 h VAL 13 Cb 0.99 2.17 -0.08 0.00 -1.52 0.00 0.00 31.29 32.86 3hx5 h VAL 13 CO 0.09 0.52 -0.08 -0.08 0.02 0.00 0.00 177.57 178.03 3hx5 h GLU 14 N 0.05 0.02 0.00 1.57 4.81 -1.37 -0.01 114.58 119.65 3hx5 h GLU 14 Ca -0.02 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 3hx5 h GLU 14 Cb 1.04 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 3hx5 h GLU 14 CO 0.09 0.01 -0.37 0.00 -0.73 0.00 0.00 179.01 178.01 3hx5 h ALA 15 N 1.41 1.35 -0.29 2.92 0.00 -1.48 -2.48 119.26 120.69 3hx5 h ALA 15 Ca 0.20 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 3hx5 h ALA 15 Cb 0.31 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3hx5 h ALA 15 CO -0.42 0.46 -0.43 0.00 0.00 0.00 0.00 179.25 178.86 3hx5 h ALA 16 N 1.63 0.68 -0.19 0.00 0.00 -0.62 -2.58 119.26 118.19 3hx5 h ALA 16 Ca -0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 3hx5 h ALA 16 Cb 0.67 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3hx5 h ALA 16 CO 0.05 0.67 0.02 0.28 0.00 0.00 0.00 179.25 180.27 3hx5 h VAL 17 N 0.60 1.24 0.00 0.00 2.07 -0.77 0.15 116.25 119.53 3hx5 h VAL 17 Ca 0.04 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 3hx5 h VAL 17 Cb 0.99 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 32.15 3hx5 h VAL 17 CO 0.09 0.24 -0.00 0.78 0.02 0.00 0.00 177.57 178.70 3hx5 h ASN 18 N 0.10 0.00 0.08 0.57 2.35 -1.40 0.11 115.58 117.39 3hx5 h ASN 18 Ca 0.06 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.70 3hx5 h ASN 18 Cb 0.34 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.72 3hx5 h ASN 18 CO 0.01 0.00 -0.48 -1.28 -1.65 0.00 0.00 177.43 174.03 3hx5 h SER 19 N 0.00 0.27 0.22 5.81 0.87 -1.00 -3.03 113.55 116.69 3hx5 h SER 19 Ca -0.00 -0.97 -0.03 0.00 -1.23 0.00 0.00 61.79 59.56 3hx5 h SER 19 Cb 0.01 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 61.88 3hx5 h SER 19 CO 0.00 1.23 -0.12 0.25 -0.53 0.00 0.00 176.83 177.66 3hx5 h LEU 20 N -0.63 0.00 0.65 2.23 5.85 0.16 -0.27 115.31 123.29 3hx5 h LEU 20 Ca -0.08 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 3hx5 h LEU 20 Cb 1.38 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.41 3hx5 h LEU 20 CO 0.09 0.12 -0.31 0.58 -0.34 0.00 0.00 178.44 178.58 3hx5 h VAL 21 N 0.00 0.12 -0.15 1.05 2.07 -0.88 -0.76 116.25 117.69 3hx5 h VAL 21 Ca -0.00 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 67.23 3hx5 h VAL 21 Cb 0.27 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 3hx5 h VAL 21 CO 0.02 0.02 0.19 -1.13 0.02 0.00 0.00 177.57 176.69 3hx5 h ASN 22 N -1.17 0.00 0.04 0.57 -0.73 -1.32 0.16 115.58 113.12 3hx5 h ASN 22 Ca -0.09 0.00 -0.27 0.00 1.87 0.00 0.00 56.30 57.81 3hx5 h ASN 22 Cb 0.70 0.00 0.02 0.00 0.27 0.00 0.00 38.32 39.31 3hx5 h ASN 22 CO 0.15 0.00 -1.08 0.25 -0.37 0.00 0.00 177.43 176.38 3hx5 h LEU 23 N 0.00 0.90 -0.34 0.34 5.85 -0.80 -2.79 115.31 118.46 3hx5 h LEU 23 Ca 0.07 -0.74 -0.19 0.00 0.84 0.00 0.00 57.88 57.87 3hx5 h LEU 23 Cb 0.46 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.21 3hx5 h LEU 23 CO -0.00 1.54 -0.70 1.88 -0.34 0.00 0.00 178.44 180.82 3hx5 h TYR 24 N 0.37 0.78 -0.29 1.25 -1.99 0.74 -2.03 116.97 115.81 3hx5 h TYR 24 Ca -0.14 -0.33 -0.01 0.00 2.00 0.00 0.00 58.73 60.26 3hx5 h TYR 24 Cb 1.73 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 40.32 3hx5 h TYR 24 CO 0.10 1.11 0.15 -0.07 -0.00 0.00 0.00 178.16 179.45 3hx5 h LEU 25 N 0.42 0.34 0.30 3.88 3.38 -1.09 0.78 115.31 123.32 3hx5 h LEU 25 Ca -0.03 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3hx5 h LEU 25 Cb 1.28 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3hx5 h LEU 25 CO 0.13 0.29 -0.15 -0.61 0.09 0.00 0.00 178.44 178.19 3hx5 h GLN 26 N 0.40 -0.39 -0.39 1.13 5.75 -1.20 -1.97 115.11 118.43 3hx5 h GLN 26 Ca 0.10 0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.64 3hx5 h GLN 26 Cb 0.03 0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.64 3hx5 h GLN 26 CO -0.02 -0.14 0.24 0.00 -2.65 0.00 0.00 178.83 176.27 3hx5 h ALA 27 N 0.03 0.49 -0.33 3.38 0.00 -0.80 -1.96 119.26 120.07 3hx5 h ALA 27 Ca -0.04 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.92 3hx5 h ALA 27 Cb 0.44 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 3hx5 h ALA 27 CO 0.07 -0.08 -0.29 1.03 0.00 0.00 0.00 179.25 179.98 3hx5 h SER 28 N 0.50 -0.96 -0.83 0.00 0.87 -0.81 0.56 113.55 112.88 3hx5 h SER 28 Ca 0.15 0.17 0.07 0.00 -1.23 0.00 0.00 61.79 60.95 3hx5 h SER 28 Cb -0.03 0.45 -0.07 0.00 -0.44 0.00 0.00 62.40 62.32 3hx5 h SER 28 CO -0.05 -0.31 0.49 0.22 -0.53 0.00 0.00 176.83 176.66 3hx5 h TYR 29 N -0.26 0.91 0.16 2.24 3.20 -0.93 -0.97 116.97 121.31 3hx5 h TYR 29 Ca 0.16 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 3hx5 h TYR 29 Cb 0.51 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.50 3hx5 h TYR 29 CO -0.48 0.42 -0.07 1.15 -1.64 0.00 0.00 178.16 177.54 3hx5 h THR 30 N 0.87 0.90 -0.52 1.81 2.02 -0.53 -2.24 112.91 115.22 3hx5 h THR 30 Ca 0.38 -0.22 0.07 0.00 0.77 0.00 0.00 66.41 67.40 3hx5 h THR 30 Cb 0.25 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 3hx5 h THR 30 CO -0.20 0.05 0.35 1.88 0.37 0.00 0.00 175.52 177.97 3hx5 h TYR 31 N -0.31 0.44 0.07 3.16 0.05 -0.31 0.42 116.97 120.48 3hx5 h TYR 31 Ca -0.02 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 3hx5 h TYR 31 Cb 0.25 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 37.84 3hx5 h TYR 31 CO -0.04 0.23 -0.03 1.25 -1.05 0.00 0.00 178.16 178.53 3hx5 h LEU 32 N 0.43 -0.08 -0.64 3.88 5.85 -0.91 0.25 115.31 124.11 3hx5 h LEU 32 Ca 0.23 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.81 3hx5 h LEU 32 Cb 0.35 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 3hx5 h LEU 32 CO -0.06 0.13 0.38 -1.28 -0.34 0.00 0.00 178.44 177.27 3hx5 h SER 33 N -0.29 0.60 -0.50 1.25 0.87 -0.65 -0.87 113.55 113.96 3hx5 h SER 33 Ca -0.01 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3hx5 h SER 33 Cb 0.25 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 3hx5 h SER 33 CO 0.01 0.41 0.33 -0.07 -0.53 0.00 0.00 176.83 176.98 3hx5 h LEU 34 N 0.73 0.58 0.52 2.23 3.38 -0.83 -1.82 115.31 120.09 3hx5 h LEU 34 Ca 0.27 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 3hx5 h LEU 34 Cb 0.08 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.69 3hx5 h LEU 34 CO -0.13 0.42 -0.25 1.23 0.09 0.00 0.00 178.44 179.80 3hx5 h GLY 35 N 0.68 -0.73 2.00 0.83 0.00 -0.11 -2.61 103.07 103.12 3hx5 h GLY 35 Ca 0.18 0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.79 3hx5 h GLY 35 CO -0.04 -0.27 0.00 0.69 0.00 0.00 0.00 176.54 176.92 3hx5 n PHE 36 N -5.37 0.04 -0.01 5.60 3.01 -0.41 -2.54 117.46 117.78 3hx5 n PHE 36 Ca -0.12 0.02 -0.16 0.00 1.01 0.00 0.00 57.45 58.20 3hx5 n PHE 36 Cb 0.30 -0.53 -0.11 0.00 -0.01 0.00 0.00 39.48 39.14 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 0.49 0.00 1.38 3.20 -0.94 -3.10 116.97 118.00 3hx5 h TYR 37 Ca 0.00 -0.25 0.00 0.00 3.14 0.00 0.00 58.73 61.62 3hx5 h TYR 37 Cb 0.20 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.41 3hx5 h TYR 37 CO 0.00 1.04 0.00 1.19 -1.64 0.00 0.00 178.16 178.75 3hx5 n PHE 38 N -4.34 0.00 1.02 -3.82 3.72 -1.05 -2.32 117.46 110.67 3hx5 n PHE 38 Ca -0.10 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.43 3hx5 n PHE 38 Cb 0.59 -0.21 0.28 0.00 -0.94 0.00 0.00 39.48 39.19 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 -1.21 0.51 -4.76 4.37 -0.08 -1.17 -1.00 116.55 113.21 3hx5 n ASP 39 Ca 0.12 -0.26 -0.38 0.00 -1.51 0.00 0.00 54.79 52.76 3hx5 n ASP 39 Cb 0.15 0.21 0.02 0.00 2.34 0.00 0.00 41.12 43.84 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 -2.97 3.40 0.58 -0.67 0.52 -0.98 -4.72 118.95 114.13 3hx5 s ARG 40 Ca 0.12 2.07 0.32 0.00 -0.52 0.00 0.00 55.73 57.72 3hx5 s ARG 40 Cb 0.18 -2.34 1.82 0.00 0.52 0.00 0.00 34.95 35.13 3hx5 s ARG 40 CO 0.68 -0.93 2.22 0.38 0.02 0.00 0.00 175.30 177.68 3hx5 h ASP 41 N 1.74 0.00 -0.06 0.23 2.03 -1.90 0.72 116.42 119.17 3hx5 h ASP 41 Ca -0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 3hx5 h ASP 41 Cb 1.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 3hx5 h ASP 41 CO 0.59 0.03 0.00 -0.90 -1.03 0.00 0.00 179.24 177.93 3hx5 n ASP 42 N -3.65 1.98 0.00 4.15 3.85 -1.26 -4.24 116.55 117.38 3hx5 n ASP 42 Ca -0.03 -1.67 0.00 0.00 -0.71 0.00 0.00 54.79 52.38 3hx5 n ASP 42 Cb 0.13 -0.03 0.00 0.00 -1.35 0.00 0.00 41.12 39.87 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 0.55 0.00 -1.93 2.12 0.31 -0.68 -5.08 118.33 113.61 3hx5 n VAL 43 Ca 0.17 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.48 3hx5 n VAL 43 Cb 0.42 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 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 -2.18 -1.11 -3.61 3.52 0.00 0.24 -4.93 120.51 112.44 3hx5 n ALA 44 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 3hx5 n ALA 44 Cb 0.42 -0.10 -0.11 0.00 0.00 0.00 0.00 19.45 19.66 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 -1.26 2.76 0.41 0.00 1.43 -0.17 -4.97 118.68 116.89 3hx5 s LEU 45 Ca 0.01 -3.27 0.13 0.00 -1.03 0.00 0.00 54.13 49.97 3hx5 s LEU 45 Cb -0.00 -0.93 0.97 0.00 0.03 0.00 0.00 46.19 46.26 3hx5 s LEU 45 CO 0.06 -0.16 1.94 -0.08 0.23 0.00 0.00 176.35 178.35 3hx5 h GLU 46 N 5.73 0.48 -0.11 1.70 4.81 -1.92 -0.17 114.58 125.10 3hx5 h GLU 46 Ca 0.18 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.40 3hx5 h GLU 46 Cb 0.86 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 3hx5 h GLU 46 CO 0.50 0.32 0.01 0.78 -0.73 0.00 0.00 179.01 179.89 3hx5 h GLY 47 N 0.49 0.11 0.91 1.92 0.00 -1.95 -0.98 103.07 103.58 3hx5 h GLY 47 Ca 0.33 -0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.49 3hx5 h GLY 47 CO -0.11 -0.01 -0.62 -2.08 0.00 0.00 0.00 176.54 173.72 3hx5 h VAL 48 N 0.05 1.37 -0.53 4.60 2.07 -1.87 -2.83 116.25 119.11 3hx5 h VAL 48 Ca 0.05 -1.97 0.11 0.00 0.82 0.00 0.00 66.70 65.71 3hx5 h VAL 48 Cb 0.05 2.32 -0.09 0.00 -1.52 0.00 0.00 31.29 32.05 3hx5 h VAL 48 CO -0.07 0.59 -0.01 -1.28 0.02 0.00 0.00 177.57 176.83 3hx5 h SER 49 N 0.12 -0.24 -0.52 0.57 0.87 -0.94 -0.39 113.55 113.02 3hx5 h SER 49 Ca -0.06 0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 3hx5 h SER 49 Cb 1.29 0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 63.46 3hx5 h SER 49 CO 0.13 -0.09 0.24 -0.74 -0.53 0.00 0.00 176.83 175.84 3hx5 h HIS 50 N 0.11 0.77 -0.77 2.24 6.17 -1.23 -1.68 115.15 120.76 3hx5 h HIS 50 Ca 0.27 -0.05 0.08 0.00 0.71 0.00 0.00 60.37 61.39 3hx5 h HIS 50 Cb 0.42 -0.24 -0.07 0.00 2.52 0.00 0.00 27.41 30.05 3hx5 h HIS 50 CO -0.33 0.62 0.44 0.35 0.71 0.00 0.00 177.93 179.71 3hx5 h PHE 51 N 0.70 0.80 -0.09 5.26 3.57 -0.87 -0.82 116.94 125.49 3hx5 h PHE 51 Ca 0.18 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.54 3hx5 h PHE 51 Cb 0.15 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 3hx5 h PHE 51 CO -0.00 0.35 -0.65 0.74 -2.23 0.00 0.00 178.31 176.52 3hx5 h PHE 52 N 0.77 0.48 0.00 0.41 0.05 -0.91 -2.85 116.94 114.88 3hx5 h PHE 52 Ca 0.36 -0.19 -0.07 0.00 3.82 0.00 0.00 57.97 61.88 3hx5 h PHE 52 Cb 0.28 -0.08 -0.01 0.00 2.00 0.00 0.00 35.95 38.14 3hx5 h PHE 52 CO -0.07 0.91 -0.33 0.00 -0.18 0.00 0.00 178.31 178.64 3hx5 h ARG 53 N 0.26 0.00 -0.22 1.51 3.08 -0.36 -1.45 114.38 117.21 3hx5 h ARG 53 Ca -0.01 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 3hx5 h ARG 53 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.24 3hx5 h ARG 53 CO 0.11 0.33 -0.24 0.93 -1.07 0.00 0.00 179.97 180.03 3hx5 h GLU 54 N 0.00 0.55 -0.29 0.04 5.08 -1.03 -2.92 114.58 116.01 3hx5 h GLU 54 Ca -0.00 -0.30 -0.07 0.00 -1.00 0.00 0.00 59.36 57.99 3hx5 h GLU 54 Cb 0.60 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 3hx5 h GLU 54 CO 0.04 0.89 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.75 3hx5 h LEU 55 N 0.24 0.47 -1.69 1.33 3.38 -1.26 -0.38 115.31 117.41 3hx5 h LEU 55 Ca 0.03 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3hx5 h LEU 55 Cb 0.80 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3hx5 h LEU 55 CO 0.06 0.63 -0.09 0.00 0.09 0.00 0.00 178.44 179.13 3hx5 h ALA 56 N 1.42 1.75 0.12 1.53 0.00 -1.18 -1.02 119.26 121.88 3hx5 h ALA 56 Ca 0.08 -0.12 -0.30 0.00 0.00 0.00 0.00 54.91 54.57 3hx5 h ALA 56 Cb 0.48 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3hx5 h ALA 56 CO 0.03 0.19 -1.51 1.49 0.00 0.00 0.00 179.25 179.45 3hx5 h GLU 57 N 0.08 0.25 -0.49 0.00 4.57 -1.20 -3.06 114.58 114.75 3hx5 h GLU 57 Ca 0.02 -0.43 0.02 0.00 -1.18 0.00 0.00 59.36 57.79 3hx5 h GLU 57 Cb 0.21 0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.94 3hx5 h GLU 57 CO 0.01 1.12 0.32 0.93 -1.18 0.00 0.00 179.01 180.22 3hx5 h GLU 58 N 0.07 0.56 -0.00 1.92 5.08 -0.36 0.14 114.58 121.99 3hx5 h GLU 58 Ca -0.23 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 57.93 3hx5 h GLU 58 Cb 2.01 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 31.12 3hx5 h GLU 58 CO 0.17 0.37 -0.74 0.87 -1.00 0.00 0.00 179.01 178.68 3hx5 h LYS 59 N 0.57 0.04 -0.29 2.33 1.79 -1.28 -1.43 116.57 118.30 3hx5 h LYS 59 Ca 0.19 -0.03 -0.13 0.00 -2.18 0.00 0.00 60.65 58.50 3hx5 h LYS 59 Cb 0.06 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 3hx5 h LYS 59 CO -0.05 0.76 -0.36 -0.09 -1.08 0.00 0.00 179.45 178.63 3hx5 h ARG 60 N 0.02 0.65 -0.52 3.15 2.43 -0.83 0.06 114.38 119.34 3hx5 h ARG 60 Ca -0.01 -0.32 -0.07 0.00 -0.81 0.00 0.00 59.98 58.77 3hx5 h ARG 60 Cb 1.31 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.83 3hx5 h ARG 60 CO 0.10 0.91 0.04 0.93 -1.51 0.00 0.00 179.97 180.44 3hx5 h GLU 61 N 0.54 0.89 0.25 0.20 5.08 -0.65 -2.19 114.58 118.70 3hx5 h GLU 61 Ca 0.05 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 3hx5 h GLU 61 Cb 0.88 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.04 3hx5 h GLU 61 CO 0.08 0.90 -0.12 0.78 -1.00 0.00 0.00 179.01 179.64 3hx5 h GLY 62 N 0.77 -0.35 2.00 -3.84 0.00 -0.75 0.62 103.07 101.52 3hx5 h GLY 62 Ca 0.15 0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.54 3hx5 h GLY 62 CO 0.02 -0.13 -0.32 0.10 0.00 0.00 0.00 176.54 176.21 3hx5 h TYR 63 N -0.44 0.00 -0.03 5.60 -0.00 -1.02 -1.28 116.97 119.80 3hx5 h TYR 63 Ca -0.03 0.00 -0.18 0.00 0.00 0.00 0.00 58.73 58.51 3hx5 h TYR 63 Cb 0.33 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.05 3hx5 h TYR 63 CO -0.03 0.32 -0.77 0.93 -0.00 0.00 0.00 178.16 178.60 3hx5 h GLU 64 N 0.00 0.27 -0.59 0.10 5.08 -1.28 -1.04 114.58 117.12 3hx5 h GLU 64 Ca -0.00 -0.24 -0.10 0.00 -1.00 0.00 0.00 59.36 58.01 3hx5 h GLU 64 Cb 0.66 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 3hx5 h GLU 64 CO 0.04 0.92 -0.04 -0.09 -1.00 0.00 0.00 179.01 178.84 3hx5 h ARG 65 N 0.17 1.06 0.51 2.33 2.43 -0.15 -1.58 114.38 119.15 3hx5 h ARG 65 Ca -0.03 -0.35 -0.02 0.00 -0.81 0.00 0.00 59.98 58.76 3hx5 h ARG 65 Cb 1.36 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 3hx5 h ARG 65 CO 0.12 1.05 -0.24 -0.07 -1.51 0.00 0.00 179.97 179.32 3hx5 h LEU 66 N 0.96 -0.58 -1.87 3.80 3.38 -1.14 -1.98 115.31 117.88 3hx5 h LEU 66 Ca 0.16 -0.07 0.26 0.00 0.09 0.00 0.00 57.88 58.32 3hx5 h LEU 66 Cb 0.60 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.45 3hx5 h LEU 66 CO 0.04 -0.23 0.65 -0.07 0.09 0.00 0.00 178.44 178.92 3hx5 h LEU 67 N -0.96 0.10 0.03 1.67 3.38 -1.16 0.23 115.31 118.60 3hx5 h LEU 67 Ca -0.07 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3hx5 h LEU 67 Cb 0.61 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3hx5 h LEU 67 CO 0.11 0.03 -0.01 0.50 0.09 0.00 0.00 178.44 179.16 3hx5 h LYS 68 N 0.10 -0.04 0.00 1.13 1.63 -1.10 -2.93 116.57 115.36 3hx5 h LYS 68 Ca 0.45 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.26 3hx5 h LYS 68 Cb 1.64 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 33.28 3hx5 h LYS 68 CO -0.06 0.46 -0.00 1.98 -3.45 0.00 0.00 179.45 178.38 3hx5 h MET 69 N -0.56 0.00 0.16 1.90 4.05 0.10 -2.35 114.93 118.23 3hx5 h MET 69 Ca -0.00 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 3hx5 h MET 69 Cb 0.52 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.32 3hx5 h MET 69 CO 0.01 0.00 -0.08 0.37 0.23 0.00 0.00 176.91 177.44 3hx5 h GLN 70 N 0.00 -0.21 0.00 0.39 5.75 -0.63 -2.85 115.11 117.56 3hx5 h GLN 70 Ca -0.00 0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.46 3hx5 h GLN 70 Cb 0.02 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 3hx5 h GLN 70 CO 0.00 0.18 -0.26 -0.91 -2.65 0.00 0.00 178.83 175.19 3hx5 h ASN 71 N -0.67 0.00 0.16 -0.69 4.21 -1.30 -1.41 115.58 115.88 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 0.49 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.67 3hx5 h ASN 71 CO 0.04 0.26 -0.34 1.56 -1.29 0.00 0.00 177.43 177.65 3hx5 h GLN 72 N 0.00 0.27 0.00 0.81 4.20 -1.46 -3.01 115.11 115.92 3hx5 h GLN 72 Ca -0.00 -0.11 -0.13 0.00 0.06 0.00 0.00 58.65 58.47 3hx5 h GLN 72 Cb 0.46 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 3hx5 h GLN 72 CO 0.03 0.58 -0.81 0.00 -0.67 0.00 0.00 178.83 177.97 3hx5 h ARG 73 N 0.23 0.00 0.00 1.46 2.47 -1.23 -3.48 114.38 113.83 3hx5 h ARG 73 Ca 0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 3hx5 h ARG 73 Cb 0.72 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.04 3hx5 h ARG 73 CO 0.05 0.47 0.00 0.41 0.56 0.00 0.00 179.97 181.46 3hx5 n GLY 74 N 1.28 1.88 3.43 0.04 0.00 -0.99 -3.72 105.19 107.12 3hx5 n GLY 74 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 3hx5 n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hx5 n GLY 75 N -0.06 -1.90 2.96 -0.02 0.00 -0.57 -4.80 105.19 100.80 3hx5 n GLY 75 Ca 0.00 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.81 3hx5 n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hx5 s ARG 76 N -4.02 1.88 0.30 1.61 1.81 -1.26 -4.32 118.95 114.95 3hx5 s ARG 76 Ca 0.63 -0.61 -0.29 0.00 -1.72 0.00 0.00 55.73 53.73 3hx5 s ARG 76 Cb -0.20 -2.13 -0.10 0.00 -0.45 0.00 0.00 34.95 32.07 3hx5 s ARG 76 CO 0.65 -0.36 1.34 0.00 -0.68 0.00 0.00 175.30 176.25 3hx5 s ALA 77 N 1.52 3.53 -0.08 2.13 0.00 -1.26 -5.01 121.76 122.60 3hx5 s ALA 77 Ca 0.02 1.27 0.01 0.00 0.00 0.00 0.00 51.96 53.25 3hx5 s ALA 77 Cb -0.15 -3.50 0.02 0.00 0.00 0.00 0.00 23.12 19.50 3hx5 s ALA 77 CO -0.09 -0.66 -0.08 -0.51 0.00 0.00 0.00 175.76 174.43 3hx5 s LEU 78 N -1.33 1.32 -0.13 0.00 1.43 -1.26 -5.14 118.68 113.57 3hx5 s LEU 78 Ca 0.52 -0.24 -0.05 0.00 -1.03 0.00 0.00 54.13 53.33 3hx5 s LEU 78 Cb -0.40 -0.70 -0.04 0.00 0.03 0.00 0.00 46.19 45.08 3hx5 s LEU 78 CO 0.50 -0.06 0.05 -0.36 0.23 0.00 0.00 176.35 176.71 3hx5 s PHE 79 N 1.17 3.28 0.28 0.29 0.08 -1.26 -4.88 117.98 116.94 3hx5 s PHE 79 Ca -0.06 0.20 0.11 0.00 0.12 0.00 0.00 56.93 57.30 3hx5 s PHE 79 Cb -0.14 -1.93 -0.05 0.00 -0.57 0.00 0.00 43.02 40.33 3hx5 s PHE 79 CO -0.02 0.39 -0.16 -0.65 -0.10 0.00 0.00 175.22 174.68 3hx5 s GLN 80 N -0.42 1.79 0.46 0.44 -1.52 -1.26 -5.10 119.66 114.04 3hx5 s GLN 80 Ca 0.09 -1.72 -0.22 0.00 -1.95 0.00 0.00 55.36 51.56 3hx5 s GLN 80 Cb -0.12 -1.83 -0.11 0.00 -0.22 0.00 0.00 33.01 30.73 3hx5 s GLN 80 CO 0.02 0.33 0.62 -0.25 -0.25 0.00 0.00 175.29 175.75 3hx5 n ASP 81 N -0.67 -0.56 -4.42 5.90 10.43 -1.26 -4.93 116.55 121.04 3hx5 n ASP 81 Ca -0.05 0.89 -0.40 0.00 2.57 0.00 0.00 54.79 57.80 3hx5 n ASP 81 Cb 0.60 -1.17 -0.11 0.00 1.84 0.00 0.00 41.12 42.28 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 -1.50 4.71 0.25 0.53 1.01 -1.26 -5.06 121.20 119.88 3hx5 s ILE 82 Ca 0.65 -0.62 -0.30 0.00 0.00 0.00 0.00 60.65 60.38 3hx5 s ILE 82 Cb -0.56 -3.52 -0.10 0.00 0.01 0.00 0.00 42.46 38.29 3hx5 s ILE 82 CO 0.57 -0.11 1.44 -0.54 0.00 0.00 0.00 174.94 176.30 3hx5 s LYS 83 N 1.60 4.27 0.97 2.79 1.02 -1.26 -4.99 119.74 124.14 3hx5 s LYS 83 Ca 0.04 2.30 -0.11 0.00 0.02 0.00 0.00 55.97 58.22 3hx5 s LYS 83 Cb -0.18 -3.11 0.16 0.00 -0.52 0.00 0.00 37.83 34.18 3hx5 s LYS 83 CO 0.07 -0.42 1.03 0.36 -0.92 0.00 0.00 175.35 175.48 3hx5 n LYS 84 N 2.29 -0.77 -0.84 1.68 2.85 -1.26 -4.91 118.16 117.20 3hx5 n LYS 84 Ca 0.07 -0.17 -0.30 0.00 -1.05 0.00 0.00 58.31 56.86 3hx5 n LYS 84 Cb 0.40 -2.28 0.17 0.00 -0.65 0.00 0.00 35.03 32.67 3hx5 n LYS 84 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 177.40 175.21 3hx5 s PRO 85 N -4.48 0.90 0.32 -1.58 0.02 -1.26 -4.92 135.00 123.99 3hx5 s PRO 85 Ca 0.66 1.24 0.03 0.00 0.02 0.00 0.00 61.00 62.95 3hx5 s PRO 85 Cb -0.23 -1.74 0.62 0.00 0.02 0.00 0.00 34.50 33.17 3hx5 s PRO 85 CO 0.60 -2.61 1.90 0.00 -0.33 0.00 0.00 177.00 176.56 3hx5 h ALA 86 N -1.84 1.60 -4.59 -1.55 0.00 -1.98 -3.45 119.26 107.46 3hx5 h ALA 86 Ca -0.48 -0.01 -0.40 0.00 0.00 0.00 0.00 54.91 54.03 3hx5 h ALA 86 Cb 1.28 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.76 3hx5 h ALA 86 CO 0.47 0.23 -0.30 0.39 0.00 0.00 0.00 179.25 180.04 3hx5 n GLU 87 N -4.51 1.07 0.00 0.00 -0.58 -1.26 -5.04 120.64 110.32 3hx5 n GLU 87 Ca 0.14 -2.28 0.00 0.00 -0.42 0.00 0.00 57.16 54.60 3hx5 n GLU 87 Cb 0.27 0.79 0.00 0.00 -0.57 0.00 0.00 31.44 31.93 3hx5 n GLU 87 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3hx5 n ASP 88 N -1.35 3.10 -3.97 1.62 8.00 -1.26 -5.01 116.55 117.67 3hx5 n ASP 88 Ca -0.10 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.19 3hx5 n ASP 88 Cb 0.40 0.54 -0.16 0.00 -0.02 0.00 0.00 41.12 41.88 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 -1.34 0.97 -0.18 -1.24 2.02 -1.26 -5.01 118.70 112.66 3hx5 s GLU 89 Ca 0.00 -0.26 0.16 0.00 0.02 0.00 0.00 54.97 54.89 3hx5 s GLU 89 Cb 0.00 -0.90 0.56 0.00 0.10 0.00 0.00 34.13 33.88 3hx5 s GLU 89 CO 0.00 0.06 1.45 0.91 0.02 0.00 0.00 175.26 177.70 3hx5 n TRP 90 N 3.50 1.05 0.00 1.61 7.02 -1.26 -5.07 117.44 124.29 3hx5 n TRP 90 Ca -0.20 -0.85 0.00 0.00 -1.02 0.00 0.00 57.50 55.42 3hx5 n TRP 90 Cb 0.53 -0.33 0.00 0.00 -2.42 0.00 0.00 31.31 29.10 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 -0.37 3.62 4.00 6.99 0.00 -1.26 -3.43 105.19 114.73 3hx5 n GLY 91 Ca 0.22 -0.07 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 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 2.88 0.14 1.61 1.02 -1.26 -4.93 119.74 119.19 3hx5 s LYS 92 Ca 0.00 -1.08 -0.29 0.00 0.02 0.00 0.00 55.97 54.62 3hx5 s LYS 92 Cb 0.00 -2.73 -0.04 0.00 -0.52 0.00 0.00 37.83 34.54 3hx5 s LYS 92 CO 0.00 -0.24 1.57 1.15 -0.92 0.00 0.00 175.35 176.91 3hx5 h THR 93 N 0.62 0.11 -0.38 2.17 2.02 -2.00 -1.18 112.91 114.27 3hx5 h THR 93 Ca -0.42 0.00 0.11 0.00 0.77 0.00 0.00 66.41 66.87 3hx5 h THR 93 Cb 1.27 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 3hx5 h THR 93 CO 0.48 0.00 0.29 -0.65 0.37 0.00 0.00 175.52 176.01 3hx5 h PRO 94 N -0.44 0.00 0.10 6.66 0.11 -1.95 0.21 132.00 136.70 3hx5 h PRO 94 Ca 0.09 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 3hx5 h PRO 94 Cb 0.62 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.73 3hx5 h PRO 94 CO -0.48 0.00 -0.05 -0.44 -0.21 0.00 0.00 178.00 176.83 3hx5 h ASP 95 N 0.00 -0.11 0.19 -2.05 3.45 -1.53 -2.23 116.42 114.15 3hx5 h ASP 95 Ca 0.18 -0.34 -0.11 0.00 0.43 0.00 0.00 57.03 57.19 3hx5 h ASP 95 Cb 0.76 0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 39.54 3hx5 h ASP 95 CO -0.00 0.30 -0.40 0.00 -1.57 0.00 0.00 179.24 177.57 3hx5 h ALA 96 N 0.30 1.09 -0.33 3.45 0.00 -0.44 -1.87 119.26 121.46 3hx5 h ALA 96 Ca -0.01 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 3hx5 h ALA 96 Cb 0.44 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3hx5 h ALA 96 CO 0.02 0.59 -0.23 1.98 0.00 0.00 0.00 179.25 181.61 3hx5 h MET 97 N 0.23 0.64 -0.17 0.00 -1.53 -0.62 -1.33 114.93 112.15 3hx5 h MET 97 Ca 0.02 -0.25 -0.18 0.00 -3.44 0.00 0.00 59.70 55.86 3hx5 h MET 97 Cb 0.81 -0.04 -0.00 0.00 -0.55 0.00 0.00 31.60 31.82 3hx5 h MET 97 CO 0.06 0.82 -0.62 0.87 0.14 0.00 0.00 176.91 178.18 3hx5 h LYS 98 N 0.57 0.59 -0.68 0.39 1.57 -1.22 -1.09 116.57 116.70 3hx5 h LYS 98 Ca 0.08 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3hx5 h LYS 98 Cb 0.69 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 3hx5 h LYS 98 CO 0.05 1.03 0.43 0.00 -0.57 0.00 0.00 179.45 180.39 3hx5 h ALA 99 N 0.88 1.48 -0.06 3.86 0.00 -0.90 -0.45 119.26 124.06 3hx5 h ALA 99 Ca -0.01 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 3hx5 h ALA 99 Cb 1.19 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.71 3hx5 h ALA 99 CO 0.12 0.47 -0.67 0.00 0.00 0.00 0.00 179.25 179.17 3hx5 h ALA 100 N 1.55 0.16 -0.93 0.00 0.00 -1.12 -2.30 119.26 116.63 3hx5 h ALA 100 Ca 0.25 -0.57 0.11 0.00 0.00 0.00 0.00 54.91 54.69 3hx5 h ALA 100 Cb -0.07 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 3hx5 h ALA 100 CO -0.05 0.47 0.59 1.98 0.00 0.00 0.00 179.25 182.24 3hx5 h MET 101 N 0.16 0.87 -0.12 0.00 -1.53 -0.65 0.34 114.93 114.00 3hx5 h MET 101 Ca -0.07 -0.05 -0.02 0.00 -3.44 0.00 0.00 59.70 56.12 3hx5 h MET 101 Cb 1.33 -0.20 -0.00 0.00 -0.55 0.00 0.00 31.60 32.18 3hx5 h MET 101 CO 0.13 0.57 -0.02 0.00 0.14 0.00 0.00 176.91 177.74 3hx5 h ALA 102 N 1.55 0.17 -0.96 0.39 0.00 -1.04 -2.47 119.26 116.90 3hx5 h ALA 102 Ca 0.44 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.18 3hx5 h ALA 102 Cb 0.47 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 3hx5 h ALA 102 CO -0.20 -0.11 0.63 1.25 0.00 0.00 0.00 179.25 180.82 3hx5 h LEU 103 N -0.07 1.04 -0.31 0.00 5.85 -0.63 -0.63 115.31 120.56 3hx5 h LEU 103 Ca 0.03 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.60 3hx5 h LEU 103 Cb 0.42 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 3hx5 h LEU 103 CO 0.01 0.71 -0.37 -0.33 -0.34 0.00 0.00 178.44 178.13 3hx5 h GLU 104 N 1.21 0.80 -0.74 1.25 4.39 -0.94 -1.77 114.58 118.77 3hx5 h GLU 104 Ca 0.38 -0.44 -0.03 0.00 0.34 0.00 0.00 59.36 59.61 3hx5 h GLU 104 Cb 0.02 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 3hx5 h GLU 104 CO -0.12 1.07 0.36 0.87 -1.16 0.00 0.00 179.01 180.03 3hx5 h LYS 105 N 0.57 1.06 0.33 2.33 1.57 -1.08 0.35 116.57 121.69 3hx5 h LYS 105 Ca 0.04 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3hx5 h LYS 105 Cb 0.96 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 3hx5 h LYS 105 CO 0.09 0.83 -0.42 -0.22 -0.57 0.00 0.00 179.45 179.16 3hx5 h LYS 106 N 1.03 -0.76 -0.69 3.15 3.64 -1.00 0.39 116.57 122.33 3hx5 h LYS 106 Ca 0.25 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 3hx5 h LYS 106 Cb 0.11 0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 3hx5 h LYS 106 CO -0.03 -0.51 0.44 -0.07 -2.27 0.00 0.00 179.45 177.01 3hx5 h LEU 107 N -0.79 0.81 -1.02 5.20 3.38 -1.04 -1.87 115.31 119.97 3hx5 h LEU 107 Ca -0.02 -0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.01 3hx5 h LEU 107 Cb 0.73 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.20 3hx5 h LEU 107 CO -0.12 0.60 0.64 -1.13 0.09 0.00 0.00 178.44 178.52 3hx5 h ASN 108 N 0.94 0.96 -0.14 -0.43 -1.24 0.24 -0.15 115.58 115.77 3hx5 h ASN 108 Ca 0.25 0.03 -0.03 0.00 0.71 0.00 0.00 56.30 57.27 3hx5 h ASN 108 Cb -0.08 -0.17 -0.00 0.00 0.73 0.00 0.00 38.32 38.80 3hx5 h ASN 108 CO -0.05 0.55 -0.01 -0.61 -1.29 0.00 0.00 177.43 176.02 3hx5 h GLN 109 N 1.06 0.25 -0.93 6.67 5.75 -0.22 -1.16 115.11 126.52 3hx5 h GLN 109 Ca 0.47 -0.09 0.16 0.00 -0.15 0.00 0.00 58.65 59.04 3hx5 h GLN 109 Cb 0.37 -0.02 -0.08 0.00 1.07 0.00 0.00 27.48 28.82 3hx5 h GLN 109 CO -0.23 0.51 0.59 0.00 -2.65 0.00 0.00 178.83 177.06 3hx5 h ALA 110 N 0.73 1.84 0.19 3.38 0.00 -0.51 0.14 119.26 125.03 3hx5 h ALA 110 Ca 0.04 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3hx5 h ALA 110 Cb 0.41 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3hx5 h ALA 110 CO 0.01 -0.12 -0.09 -0.07 0.00 0.00 0.00 179.25 178.98 3hx5 h LEU 111 N 0.69 -0.22 -1.99 0.00 3.38 -0.80 -1.68 115.31 114.68 3hx5 h LEU 111 Ca 0.48 -0.26 0.14 0.00 0.09 0.00 0.00 57.88 58.33 3hx5 h LEU 111 Cb 0.82 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 3hx5 h LEU 111 CO -0.24 0.17 0.34 -0.07 0.09 0.00 0.00 178.44 178.73 3hx5 h LEU 112 N -0.64 0.01 -0.00 1.67 3.38 0.13 0.20 115.31 120.06 3hx5 h LEU 112 Ca -0.03 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.69 3hx5 h LEU 112 Cb 0.46 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.22 3hx5 h LEU 112 CO 0.04 0.00 -1.12 0.44 0.09 0.00 0.00 178.44 177.90 3hx5 h ASP 113 N 0.01 0.50 0.12 -0.43 3.45 -0.70 -2.41 116.42 116.97 3hx5 h ASP 113 Ca 0.23 -0.47 -0.12 0.00 0.43 0.00 0.00 57.03 57.09 3hx5 h ASP 113 Cb 0.90 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.50 3hx5 h ASP 113 CO -0.00 1.32 -0.44 0.25 -1.57 0.00 0.00 179.24 178.80 3hx5 h LEU 114 N 0.15 0.41 -0.50 1.55 5.85 0.18 -0.38 115.31 122.56 3hx5 h LEU 114 Ca -0.12 -0.19 -0.14 0.00 0.84 0.00 0.00 57.88 58.28 3hx5 h LEU 114 Cb 1.81 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.71 3hx5 h LEU 114 CO 0.19 0.80 -0.31 -0.74 -0.34 0.00 0.00 178.44 178.04 3hx5 h HIS 115 N 0.32 1.05 0.17 1.25 2.76 -0.74 -1.68 115.15 118.27 3hx5 h HIS 115 Ca 0.02 -0.28 -0.01 0.00 -2.20 0.00 0.00 60.37 57.91 3hx5 h HIS 115 Cb 0.90 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.63 3hx5 h HIS 115 CO 0.03 1.08 -0.08 0.00 -1.30 0.00 0.00 177.93 177.65 3hx5 h ALA 116 N 0.89 -0.23 -0.11 5.26 0.00 -1.09 -0.75 119.26 123.23 3hx5 h ALA 116 Ca 0.08 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3hx5 h ALA 116 Cb 0.87 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 3hx5 h ALA 116 CO 0.08 -0.54 0.10 1.25 0.00 0.00 0.00 179.25 180.14 3hx5 h LEU 117 N -0.40 0.00 -0.06 0.00 5.85 -1.06 -1.44 115.31 118.20 3hx5 h LEU 117 Ca -0.02 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.59 3hx5 h LEU 117 Cb 0.31 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.35 3hx5 h LEU 117 CO 0.04 0.00 -0.37 1.23 -0.34 0.00 0.00 178.44 178.99 3hx5 h GLY 118 N 0.00 0.41 1.01 3.75 0.00 -0.70 -2.67 103.07 104.87 3hx5 h GLY 118 Ca 0.05 -0.59 -0.00 0.00 0.00 0.00 0.00 47.33 46.80 3hx5 h GLY 118 CO -0.00 0.52 0.53 1.76 0.00 0.00 0.00 176.54 179.35 3hx5 h SER 119 N -0.12 1.02 -0.71 0.19 0.02 -0.15 -0.34 113.55 113.46 3hx5 h SER 119 Ca -0.03 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.85 3hx5 h SER 119 Cb 1.04 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.29 3hx5 h SER 119 CO 0.08 0.77 0.37 0.00 -1.14 0.00 0.00 176.83 176.90 3hx5 h ALA 120 N 1.29 0.91 -0.35 3.77 0.00 -1.38 -1.34 119.26 122.15 3hx5 h ALA 120 Ca 0.31 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3hx5 h ALA 120 Cb -0.07 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.43 3hx5 h ALA 120 CO -0.06 0.44 0.00 0.54 0.00 0.00 0.00 179.25 180.17 3hx5 n ARG 121 N -4.46 1.88 -3.57 0.00 5.12 -1.01 -4.96 116.66 109.66 3hx5 n ARG 121 Ca 0.06 -1.30 -0.21 0.00 -1.93 0.00 0.00 57.85 54.47 3hx5 n ARG 121 Cb 0.11 -1.31 0.00 0.00 -1.16 0.00 0.00 32.46 30.10 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 0.53 -2.70 -3.71 0.55 -2.24 -0.20 -4.93 114.28 101.58 3hx5 n THR 122 Ca 0.12 -0.01 -0.28 0.00 -2.27 0.00 0.00 64.05 61.62 3hx5 n THR 122 Cb 0.32 -2.41 -0.11 0.00 -2.10 0.00 0.00 70.33 66.03 3hx5 n THR 122 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3hx5 n ASP 123 N -2.04 2.30 0.25 3.42 2.03 -0.84 -4.96 116.55 116.71 3hx5 n ASP 123 Ca -0.27 -3.05 0.15 0.00 0.52 0.00 0.00 54.79 52.13 3hx5 n ASP 123 Cb 0.58 -0.70 0.78 0.00 -0.72 0.00 0.00 41.12 41.06 3hx5 n ASP 123 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3hx5 h PRO 124 N 5.23 0.00 -0.01 -0.67 0.13 -1.92 -2.20 132.00 132.56 3hx5 h PRO 124 Ca 0.18 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.28 3hx5 h PRO 124 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3hx5 h PRO 124 CO 0.65 0.00 -0.10 1.25 -0.23 0.00 0.00 178.00 179.58 3hx5 h HIS 125 N 0.00 0.12 -0.43 1.56 2.76 -1.96 -1.90 115.15 115.29 3hx5 h HIS 125 Ca 0.00 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.12 3hx5 h HIS 125 Cb 0.23 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.16 3hx5 h HIS 125 CO 0.00 0.78 0.28 1.25 -1.30 0.00 0.00 177.93 178.95 3hx5 h LEU 126 N -0.58 0.49 -0.00 0.26 5.85 -1.82 0.48 115.31 120.00 3hx5 h LEU 126 Ca -0.01 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 3hx5 h LEU 126 Cb 0.80 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 3hx5 h LEU 126 CO 0.02 0.36 -0.00 0.00 -0.34 0.00 0.00 178.44 178.48 3hx5 h ASP 128 N -0.35 0.93 -0.40 0.00 3.58 -0.96 0.81 116.42 120.02 3hx5 h ASP 128 Ca 0.00 -0.15 0.02 0.00 0.42 0.00 0.00 57.03 57.32 3hx5 h ASP 128 Cb 0.37 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.15 3hx5 h ASP 128 CO 0.00 0.85 0.22 0.15 -2.88 0.00 0.00 179.24 177.59 3hx5 h PHE 129 N 0.97 0.42 -0.16 0.28 3.04 -0.90 0.85 116.94 121.45 3hx5 h PHE 129 Ca 0.22 0.01 -0.20 0.00 3.98 0.00 0.00 57.97 61.99 3hx5 h PHE 129 Cb 0.24 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 38.63 3hx5 h PHE 129 CO 0.02 0.23 -0.70 -0.07 -2.02 0.00 0.00 178.31 175.77 3hx5 h LEU 130 N 0.45 0.77 -0.34 0.59 3.38 -1.10 -2.51 115.31 116.56 3hx5 h LEU 130 Ca 0.16 -0.48 0.01 0.00 0.09 0.00 0.00 57.88 57.66 3hx5 h LEU 130 Cb 0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3hx5 h LEU 130 CO -0.09 1.25 0.22 -0.33 0.09 0.00 0.00 178.44 179.58 3hx5 h GLU 131 N 0.47 0.43 0.15 1.13 5.08 -0.50 -0.43 114.58 120.91 3hx5 h GLU 131 Ca -0.03 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3hx5 h GLU 131 Cb 1.30 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3hx5 h GLU 131 CO 0.14 0.28 -0.07 1.15 -1.00 0.00 0.00 179.01 179.51 3hx5 h THR 132 N 0.44 0.91 -0.03 1.13 2.02 -0.86 -3.35 112.91 113.18 3hx5 h THR 132 Ca 0.13 -1.11 0.00 0.00 0.77 0.00 0.00 66.41 66.19 3hx5 h THR 132 Cb -0.04 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 3hx5 h THR 132 CO -0.04 0.23 -0.11 1.41 0.37 0.00 0.00 175.52 177.38 3hx5 n HIS 133 N -4.93 0.00 0.00 3.16 8.25 -0.95 -4.81 115.22 115.95 3hx5 n HIS 133 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 3hx5 n HIS 133 Cb 0.27 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.38 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 0.90 0.00 0.15 4.41 3.72 -0.76 -4.74 117.46 121.15 3hx5 n PHE 134 Ca 0.13 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.38 3hx5 n PHE 134 Cb 0.55 0.24 -0.08 0.00 -0.94 0.00 0.00 39.48 39.25 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 -1.25 -1.30 4.37 3.38 -1.24 -1.63 115.31 117.64 3hx5 h LEU 135 Ca 0.00 0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 3hx5 h LEU 135 Cb 0.45 0.46 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 3hx5 h LEU 135 CO 0.00 -0.52 -0.25 -0.78 0.09 0.00 0.00 178.44 176.98 3hx5 h ASP 136 N -0.72 0.00 -0.28 -0.43 -0.00 -1.85 -2.61 116.42 110.52 3hx5 h ASP 136 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 57.02 3hx5 h ASP 136 Cb 0.71 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.03 3hx5 h ASP 136 CO -0.20 0.25 0.14 -0.33 -0.00 0.00 0.00 179.24 179.09 3hx5 h GLU 137 N 0.00 0.41 -0.37 0.28 4.39 -1.75 -2.33 114.58 115.21 3hx5 h GLU 137 Ca -0.00 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 3hx5 h GLU 137 Cb 0.67 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 3hx5 h GLU 137 CO 0.03 0.40 0.05 0.93 -1.16 0.00 0.00 179.01 179.26 3hx5 h GLU 138 N 0.32 0.61 -0.00 2.33 4.39 -1.06 -2.29 114.58 118.88 3hx5 h GLU 138 Ca 0.10 -0.17 0.03 0.00 0.34 0.00 0.00 59.36 59.66 3hx5 h GLU 138 Cb 0.12 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.66 3hx5 h GLU 138 CO -0.01 0.69 -0.26 0.28 -1.16 0.00 0.00 179.01 178.55 3hx5 h VAL 139 N 0.45 0.42 -0.99 3.13 2.07 -1.38 0.69 116.25 120.63 3hx5 h VAL 139 Ca 0.11 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.68 3hx5 h VAL 139 Cb 0.38 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 3hx5 h VAL 139 CO 0.01 0.00 0.64 0.11 0.02 0.00 0.00 177.57 178.35 3hx5 h LYS 140 N -0.39 1.18 -0.27 1.57 1.57 -1.38 0.63 116.57 119.47 3hx5 h LYS 140 Ca 0.06 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 3hx5 h LYS 140 Cb 0.48 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3hx5 h LYS 140 CO -0.23 0.78 -0.21 1.25 -0.57 0.00 0.00 179.45 180.47 3hx5 h LEU 141 N 1.22 0.66 -0.61 2.94 5.85 -1.00 -1.60 115.31 122.77 3hx5 h LEU 141 Ca 0.41 -0.45 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 3hx5 h LEU 141 Cb 0.07 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 3hx5 h LEU 141 CO -0.14 0.97 0.16 0.40 -0.34 0.00 0.00 178.44 179.48 3hx5 h ILE 142 N 0.36 1.25 -0.68 4.05 2.04 -0.41 0.13 117.51 124.26 3hx5 h ILE 142 Ca 0.05 -0.89 -0.04 0.00 1.00 0.00 0.00 64.86 64.98 3hx5 h ILE 142 Cb 0.76 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 3hx5 h ILE 142 CO 0.06 0.33 0.25 0.50 0.00 0.00 0.00 178.15 179.29 3hx5 h LYS 143 N 0.88 1.01 -0.32 2.37 1.63 -0.87 -0.60 116.57 120.66 3hx5 h LYS 143 Ca 0.19 -0.18 -0.08 0.00 -0.85 0.00 0.00 60.65 59.73 3hx5 h LYS 143 Cb 0.34 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.79 3hx5 h LYS 143 CO 0.00 0.84 -0.11 -0.22 -3.45 0.00 0.00 179.45 176.50 3hx5 h LYS 144 N 0.98 0.64 0.00 1.90 3.64 -0.77 -1.85 116.57 121.11 3hx5 h LYS 144 Ca 0.23 -0.26 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 3hx5 h LYS 144 Cb 0.22 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3hx5 h LYS 144 CO -0.02 0.84 -0.23 0.52 -2.27 0.00 0.00 179.45 178.29 3hx5 h MET 145 N 0.41 0.00 -0.27 1.90 2.86 -0.44 -1.96 114.93 117.43 3hx5 h MET 145 Ca 0.08 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.65 3hx5 h MET 145 Cb 0.62 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 3hx5 h MET 145 CO 0.04 0.23 -0.08 0.78 1.06 0.00 0.00 176.91 178.94 3hx5 h GLY 146 N 0.75 0.57 1.66 8.32 0.00 -0.75 -1.11 103.07 112.51 3hx5 h GLY 146 Ca -0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 3hx5 h GLY 146 CO 0.03 0.44 0.03 -0.55 0.00 0.00 0.00 176.54 176.49 3hx5 h ASP 147 N 0.27 0.39 -0.14 0.19 3.32 -0.89 -0.46 116.42 119.12 3hx5 h ASP 147 Ca 0.07 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 3hx5 h ASP 147 Cb 0.56 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.00 3hx5 h ASP 147 CO 0.03 0.43 -0.04 0.45 -1.72 0.00 0.00 179.24 178.39 3hx5 h HIS 148 N 0.42 0.30 -0.81 4.55 3.86 -1.12 -1.67 115.15 120.69 3hx5 h HIS 148 Ca 0.10 -0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.22 3hx5 h HIS 148 Cb 0.23 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 28.59 3hx5 h HIS 148 CO 0.01 0.56 0.40 -0.07 0.86 0.00 0.00 177.93 179.69 3hx5 h LEU 149 N -0.05 1.04 -0.67 2.43 3.38 -0.79 0.16 115.31 120.80 3hx5 h LEU 149 Ca 0.03 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 3hx5 h LEU 149 Cb 0.47 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3hx5 h LEU 149 CO 0.01 0.87 -0.06 0.74 0.09 0.00 0.00 178.44 180.09 3hx5 h THR 150 N 1.14 1.26 0.01 0.22 2.02 -1.01 -2.27 112.91 114.28 3hx5 h THR 150 Ca 0.28 -1.19 -0.19 0.00 0.77 0.00 0.00 66.41 66.08 3hx5 h THR 150 Cb 0.09 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 3hx5 h THR 150 CO -0.04 0.42 -0.89 0.78 0.37 0.00 0.00 175.52 176.17 3hx5 h ASN 151 N 0.87 0.13 -0.39 4.18 2.35 -0.93 -2.75 115.58 119.04 3hx5 h ASN 151 Ca 0.15 -0.11 -0.09 0.00 -0.55 0.00 0.00 56.30 55.69 3hx5 h ASN 151 Cb 0.60 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 3hx5 h ASN 151 CO 0.04 0.95 -0.11 -0.07 -1.65 0.00 0.00 177.43 176.59 3hx5 h LEU 152 N 0.05 0.78 -1.38 1.61 3.38 -0.89 -2.70 115.31 116.16 3hx5 h LEU 152 Ca -0.03 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.52 3hx5 h LEU 152 Cb 1.54 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 3hx5 h LEU 152 CO 0.13 0.97 -0.07 -0.74 0.09 0.00 0.00 178.44 178.82 3hx5 h HIS 153 N 0.58 0.33 0.00 1.13 2.76 -1.45 -2.61 115.15 115.89 3hx5 h HIS 153 Ca 0.10 -0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.21 3hx5 h HIS 153 Cb 0.64 -0.10 -0.00 0.00 1.55 0.00 0.00 27.41 29.50 3hx5 h HIS 153 CO 0.05 0.40 -0.12 -0.09 -1.30 0.00 0.00 177.93 176.87 3hx5 h ARG 154 N 0.31 0.00 -0.01 5.26 2.43 -1.20 -3.52 114.38 117.65 3hx5 h ARG 154 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3hx5 h ARG 154 Cb 0.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3hx5 h ARG 154 CO 0.02 0.12 0.00 1.28 -1.51 0.00 0.00 179.97 179.87