#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx2 n SER 3 N 0.00 1.49 0.10 4.04 2.88 -1.26 -4.92 113.62 115.94 3hx2 n SER 3 Ca 0.00 0.84 0.13 0.00 -1.33 0.00 0.00 58.87 58.51 3hx2 n SER 3 Cb 0.00 -1.47 0.45 0.00 -0.75 0.00 0.00 64.21 62.44 3hx2 n SER 3 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 3hx2 n GLN 4 N -1.29 0.20 0.00 -1.46 7.27 -1.26 -3.51 117.38 117.33 3hx2 n GLN 4 Ca 0.14 0.25 0.01 0.00 0.07 0.00 0.00 57.00 57.48 3hx2 n GLN 4 Cb 0.47 -1.78 0.00 0.00 2.41 0.00 0.00 30.24 31.34 3hx2 n GLN 4 CO 0.00 0.00 0.00 0.44 0.07 0.00 0.00 177.06 177.57 3hx2 n ILE 5 N -2.14 0.00 -1.78 1.69 -5.35 -1.26 -5.05 119.36 105.47 3hx2 n ILE 5 Ca 0.05 -0.48 -0.41 0.00 -0.27 0.00 0.00 62.75 61.64 3hx2 n ILE 5 Cb 0.35 1.04 -0.00 0.00 -1.74 0.00 0.00 39.64 39.29 3hx2 n ILE 5 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 3hx2 n ARG 6 N -0.29 2.69 -3.29 6.28 0.63 -1.23 -4.82 116.66 116.63 3hx2 n ARG 6 Ca 0.01 0.94 0.03 0.00 -0.92 0.00 0.00 57.85 57.92 3hx2 n ARG 6 Cb 0.06 -2.68 -0.03 0.00 0.45 0.00 0.00 32.46 30.27 3hx2 n ARG 6 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 3hx2 s GLN 7 N -2.10 0.31 -0.96 -0.14 0.74 -1.26 -4.95 119.66 111.30 3hx2 s GLN 7 Ca 0.53 0.67 0.00 0.00 0.05 0.00 0.00 55.36 56.61 3hx2 s GLN 7 Cb -0.47 0.39 0.00 0.00 1.10 0.00 0.00 33.01 34.03 3hx2 s GLN 7 CO 0.64 -0.21 0.00 -1.71 -0.55 0.00 0.00 175.29 173.46 3hx2 n ASN 8 N 5.21 -3.70 -4.08 6.67 5.15 -1.26 -4.99 115.26 118.26 3hx2 n ASN 8 Ca -0.07 0.07 -0.33 0.00 -0.60 0.00 0.00 54.58 53.65 3hx2 n ASN 8 Cb 0.53 -2.69 -0.14 0.00 -0.53 0.00 0.00 39.78 36.94 3hx2 n ASN 8 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3hx2 s TYR 9 N -2.48 3.51 0.46 1.20 5.04 -1.26 -4.80 117.35 119.01 3hx2 s TYR 9 Ca 0.00 -2.49 -0.20 0.00 -2.44 0.00 0.00 57.07 51.93 3hx2 s TYR 9 Cb 0.00 -2.57 -0.10 0.00 0.35 0.00 0.00 41.96 39.64 3hx2 s TYR 9 CO 0.00 -0.91 0.98 -1.54 -1.34 0.00 0.00 175.55 172.75 3hx2 s SER 10 N 1.20 6.70 0.39 4.32 1.04 -1.26 -4.91 113.70 121.17 3hx2 s SER 10 Ca 0.02 1.76 0.27 0.00 0.48 0.00 0.00 55.95 58.48 3hx2 s SER 10 Cb -0.20 -2.54 1.38 0.00 0.10 0.00 0.00 66.02 64.76 3hx2 s SER 10 CO -0.05 -0.53 1.82 0.71 0.98 0.00 0.00 173.24 176.17 3hx2 h THR 11 N 1.70 0.00 0.35 2.02 1.35 -1.99 -2.42 112.91 113.92 3hx2 h THR 11 Ca -0.49 -0.06 -0.02 0.00 -0.55 0.00 0.00 66.41 65.29 3hx2 h THR 11 Cb 1.19 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 3hx2 h THR 11 CO 0.60 0.00 -0.17 0.44 -0.25 0.00 0.00 175.52 176.14 3hx2 h ASP 12 N 0.00 -0.40 -0.40 5.36 5.19 -1.99 -2.58 116.42 121.60 3hx2 h ASP 12 Ca 0.00 -0.12 0.08 0.00 -0.62 0.00 0.00 57.03 56.36 3hx2 h ASP 12 Cb 0.09 0.10 -0.07 0.00 0.18 0.00 0.00 39.33 39.63 3hx2 h ASP 12 CO 0.00 0.05 -0.01 0.58 -3.12 0.00 0.00 179.24 176.74 3hx2 h VAL 13 N -1.01 0.68 -0.51 -1.35 2.07 -1.82 -1.69 116.25 112.61 3hx2 h VAL 13 Ca -0.05 -0.03 0.10 0.00 0.82 0.00 0.00 66.70 67.54 3hx2 h VAL 13 Cb 0.50 0.58 -0.09 0.00 -1.52 0.00 0.00 31.29 30.76 3hx2 h VAL 13 CO 0.08 0.02 -0.08 -0.08 0.02 0.00 0.00 177.57 177.52 3hx2 h GLU 14 N 0.09 0.04 0.00 1.57 4.81 -1.55 0.34 114.58 119.87 3hx2 h GLU 14 Ca 0.20 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 3hx2 h GLU 14 Cb 0.29 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 3hx2 h GLU 14 CO -0.34 0.02 -0.10 0.00 -0.73 0.00 0.00 179.01 177.86 3hx2 h ALA 15 N 1.49 1.06 0.11 2.92 0.00 -0.99 -1.95 119.26 121.90 3hx2 h ALA 15 Ca 0.25 -0.09 -0.32 0.00 0.00 0.00 0.00 54.91 54.75 3hx2 h ALA 15 Cb 0.39 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3hx2 h ALA 15 CO -0.49 0.12 -1.64 0.00 0.00 0.00 0.00 179.25 177.24 3hx2 h ALA 16 N 1.90 0.36 -0.54 0.00 0.00 -0.05 -2.66 119.26 118.27 3hx2 h ALA 16 Ca -0.00 -1.20 -0.00 0.00 0.00 0.00 0.00 54.91 53.70 3hx2 h ALA 16 Cb 0.53 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3hx2 h ALA 16 CO 0.01 1.22 0.33 0.28 0.00 0.00 0.00 179.25 181.09 3hx2 h VAL 17 N 0.06 1.16 -0.62 0.00 2.07 -0.23 0.48 116.25 119.17 3hx2 h VAL 17 Ca -0.28 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 3hx2 h VAL 17 Cb 2.02 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 32.18 3hx2 h VAL 17 CO 0.14 0.17 0.32 0.78 0.02 0.00 0.00 177.57 179.00 3hx2 h ASN 18 N 0.73 0.80 0.28 0.57 2.35 -1.43 0.61 115.58 119.49 3hx2 h ASN 18 Ca 0.20 -0.11 -0.08 0.00 -0.55 0.00 0.00 56.30 55.75 3hx2 h ASN 18 Cb -0.02 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 3hx2 h ASN 18 CO -0.04 0.68 -0.35 -1.28 -1.65 0.00 0.00 177.43 174.80 3hx2 h SER 19 N 0.85 0.10 -0.21 5.81 0.87 -1.04 -1.98 113.55 117.96 3hx2 h SER 19 Ca 0.22 -0.04 -0.20 0.00 -1.23 0.00 0.00 61.79 60.54 3hx2 h SER 19 Cb 0.08 -0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.02 3hx2 h SER 19 CO -0.03 0.45 -0.64 0.25 -0.53 0.00 0.00 176.83 176.33 3hx2 h LEU 20 N 0.09 0.93 -0.93 2.23 5.85 0.62 -2.53 115.31 121.58 3hx2 h LEU 20 Ca 0.01 -0.58 0.07 0.00 0.84 0.00 0.00 57.88 58.22 3hx2 h LEU 20 Cb 0.66 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.35 3hx2 h LEU 20 CO 0.05 1.35 0.59 0.58 -0.34 0.00 0.00 178.44 180.66 3hx2 h VAL 21 N 0.56 1.04 -0.44 1.05 2.07 -0.46 0.37 116.25 120.44 3hx2 h VAL 21 Ca -0.02 -0.36 -0.09 0.00 0.82 0.00 0.00 66.70 67.05 3hx2 h VAL 21 Cb 1.26 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 3hx2 h VAL 21 CO 0.14 0.19 -0.10 -1.13 0.02 0.00 0.00 177.57 176.69 3hx2 h ASN 22 N 1.05 0.78 -0.02 0.57 -0.73 -1.25 -0.52 115.58 115.45 3hx2 h ASN 22 Ca 0.41 -0.23 -0.00 0.00 1.87 0.00 0.00 56.30 58.35 3hx2 h ASN 22 Cb 0.20 -0.21 -0.00 0.00 0.27 0.00 0.00 38.32 38.58 3hx2 h ASN 22 CO -0.18 0.90 0.01 0.25 -0.37 0.00 0.00 177.43 178.04 3hx2 h LEU 23 N 0.72 0.03 -0.67 0.34 5.85 -0.74 -0.75 115.31 120.08 3hx2 h LEU 23 Ca 0.12 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 3hx2 h LEU 23 Cb 0.58 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 3hx2 h LEU 23 CO 0.04 0.17 0.35 1.88 -0.34 0.00 0.00 178.44 180.54 3hx2 h TYR 24 N -0.12 0.94 -0.66 1.25 -1.99 -0.83 0.67 116.97 116.23 3hx2 h TYR 24 Ca 0.01 -0.03 0.07 0.00 2.00 0.00 0.00 58.73 60.77 3hx2 h TYR 24 Cb 0.16 -0.30 -0.06 0.00 2.00 0.00 0.00 36.73 38.53 3hx2 h TYR 24 CO -0.02 0.69 0.34 -0.07 -0.00 0.00 0.00 178.16 179.10 3hx2 h LEU 25 N 0.93 0.47 -1.01 3.88 3.38 -0.88 0.29 115.31 122.37 3hx2 h LEU 25 Ca 0.23 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.17 3hx2 h LEU 25 Cb 0.08 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3hx2 h LEU 25 CO -0.03 0.29 -0.14 -0.61 0.09 0.00 0.00 178.44 178.04 3hx2 h GLN 26 N 0.61 0.55 -0.12 1.13 4.15 -0.61 -1.25 115.11 119.57 3hx2 h GLN 26 Ca 0.31 -0.17 -0.01 0.00 0.77 0.00 0.00 58.65 59.55 3hx2 h GLN 26 Cb 0.26 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 3hx2 h GLN 26 CO -0.22 0.68 0.04 0.00 -1.93 0.00 0.00 178.83 177.40 3hx2 h ALA 27 N 1.35 0.16 -0.57 3.38 0.00 0.11 -1.06 119.26 122.62 3hx2 h ALA 27 Ca 0.09 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.98 3hx2 h ALA 27 Cb 0.54 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.21 3hx2 h ALA 27 CO 0.03 -0.23 0.15 1.03 0.00 0.00 0.00 179.25 180.23 3hx2 h SER 28 N 0.02 0.06 -0.64 0.00 0.87 -0.15 0.33 113.55 114.04 3hx2 h SER 28 Ca 0.04 0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.67 3hx2 h SER 28 Cb 0.21 0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.26 3hx2 h SER 28 CO -0.00 0.05 0.29 0.22 -0.53 0.00 0.00 176.83 176.86 3hx2 h TYR 29 N 0.29 0.94 -0.28 2.24 3.20 -0.98 -1.24 116.97 121.14 3hx2 h TYR 29 Ca 0.30 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.11 3hx2 h TYR 29 Cb 0.41 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 3hx2 h TYR 29 CO -0.22 0.72 0.17 1.15 -1.64 0.00 0.00 178.16 178.34 3hx2 h THR 30 N 0.89 1.09 0.00 1.81 2.02 0.18 -1.22 112.91 117.67 3hx2 h THR 30 Ca 0.22 -0.19 -0.05 0.00 0.77 0.00 0.00 66.41 67.16 3hx2 h THR 30 Cb 0.14 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3hx2 h THR 30 CO -0.02 0.09 -0.21 1.88 0.37 0.00 0.00 175.52 177.62 3hx2 h TYR 31 N 0.36 0.00 -0.15 3.16 0.05 -0.73 -0.51 116.97 119.15 3hx2 h TYR 31 Ca 0.10 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.79 3hx2 h TYR 31 Cb -0.01 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.73 3hx2 h TYR 31 CO -0.05 0.21 -0.26 1.25 -1.05 0.00 0.00 178.16 178.26 3hx2 h LEU 32 N 0.00 0.49 -0.70 3.88 5.85 -0.65 -1.23 115.31 122.94 3hx2 h LEU 32 Ca -0.00 -0.54 0.00 0.00 0.84 0.00 0.00 57.88 58.18 3hx2 h LEU 32 Cb 0.46 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 3hx2 h LEU 32 CO 0.03 0.94 0.44 -1.28 -0.34 0.00 0.00 178.44 178.22 3hx2 h SER 33 N 0.06 0.83 0.30 1.25 0.87 -0.74 -2.22 113.55 113.90 3hx2 h SER 33 Ca 0.01 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 3hx2 h SER 33 Cb 0.84 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 3hx2 h SER 33 CO 0.06 0.63 -0.15 -0.07 -0.53 0.00 0.00 176.83 176.77 3hx2 h LEU 34 N 0.95 -0.35 -0.78 2.23 3.38 -1.05 -2.39 115.31 117.30 3hx2 h LEU 34 Ca 0.25 -0.06 0.16 0.00 0.09 0.00 0.00 57.88 58.33 3hx2 h LEU 34 Cb -0.06 0.09 -0.10 0.00 0.09 0.00 0.00 40.66 40.68 3hx2 h LEU 34 CO -0.05 -0.16 0.30 1.23 0.09 0.00 0.00 178.44 179.85 3hx2 h GLY 35 N -0.51 1.21 2.00 0.83 0.00 -1.00 0.02 103.07 105.62 3hx2 h GLY 35 Ca -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 3hx2 h GLY 35 CO 0.07 -0.15 -0.06 0.74 0.00 0.00 0.00 176.54 177.14 3hx2 h PHE 36 N 0.41 0.00 -0.29 5.60 -1.00 -1.32 -3.05 116.94 117.29 3hx2 h PHE 36 Ca 0.45 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 61.08 3hx2 h PHE 36 Cb 0.73 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.28 3hx2 h PHE 36 CO -0.18 0.06 -0.40 -0.92 -1.61 0.00 0.00 178.31 175.26 3hx2 h TYR 37 N 0.00 0.85 -0.00 -0.55 3.20 -0.46 -2.59 116.97 117.41 3hx2 h TYR 37 Ca -0.00 -0.25 0.00 0.00 3.14 0.00 0.00 58.73 61.62 3hx2 h TYR 37 Cb 0.84 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.93 3hx2 h TYR 37 CO 0.00 0.99 -0.00 1.19 -1.64 0.00 0.00 178.16 178.70 3hx2 n PHE 38 N -4.04 0.00 0.99 -3.82 3.72 -1.03 -2.82 117.46 110.47 3hx2 n PHE 38 Ca -0.02 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.50 3hx2 n PHE 38 Cb 0.53 -0.31 0.19 0.00 -0.94 0.00 0.00 39.48 38.96 3hx2 n PHE 38 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3hx2 n ASP 39 N -1.31 0.58 -4.73 4.37 4.64 -0.98 -1.66 116.55 117.46 3hx2 n ASP 39 Ca 0.14 -0.36 -0.39 0.00 -1.38 0.00 0.00 54.79 52.79 3hx2 n ASP 39 Cb 0.25 0.37 0.04 0.00 -1.04 0.00 0.00 41.12 40.74 3hx2 n ASP 39 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3hx2 n ARG 40 N -1.51 1.72 0.26 -0.67 1.74 -1.13 -4.71 116.66 112.36 3hx2 n ARG 40 Ca 0.05 0.63 0.10 0.00 -0.77 0.00 0.00 57.85 57.86 3hx2 n ARG 40 Cb 0.34 -2.54 0.68 0.00 -1.02 0.00 0.00 32.46 29.92 3hx2 n ARG 40 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 3hx2 h ASP 41 N 1.52 0.00 -0.36 0.55 2.03 -1.91 0.12 116.42 118.37 3hx2 h ASP 41 Ca -0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 3hx2 h ASP 41 Cb 1.30 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.80 3hx2 h ASP 41 CO 0.57 0.10 0.00 -0.90 -1.03 0.00 0.00 179.24 177.98 3hx2 n ASP 42 N -4.04 3.44 0.00 4.15 3.85 -1.26 -3.99 116.55 118.69 3hx2 n ASP 42 Ca -0.02 -2.41 0.00 0.00 -0.71 0.00 0.00 54.79 51.64 3hx2 n ASP 42 Cb 0.18 -0.53 0.00 0.00 -1.35 0.00 0.00 41.12 39.42 3hx2 n ASP 42 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 3hx2 n VAL 43 N 0.47 0.00 -3.28 2.12 0.31 -0.86 -5.08 118.33 112.00 3hx2 n VAL 43 Ca 0.16 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.37 3hx2 n VAL 43 Cb 0.70 -0.10 -0.02 0.00 -0.91 0.00 0.00 33.84 33.51 3hx2 n VAL 43 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hx2 n ALA 44 N -0.89 -1.39 -3.79 3.52 0.00 0.36 -4.90 120.51 113.42 3hx2 n ALA 44 Ca 0.00 -0.16 -0.32 0.00 0.00 0.00 0.00 53.44 52.96 3hx2 n ALA 44 Cb 0.06 -0.40 -0.10 0.00 0.00 0.00 0.00 19.45 19.00 3hx2 n ALA 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hx2 s LEU 45 N -4.80 5.06 0.13 0.00 1.43 -0.66 -4.95 118.68 114.88 3hx2 s LEU 45 Ca 0.04 -3.50 -0.33 0.00 -1.03 0.00 0.00 54.13 49.31 3hx2 s LEU 45 Cb -0.02 -1.76 -0.10 0.00 0.03 0.00 0.00 46.19 44.33 3hx2 s LEU 45 CO 0.34 -0.19 1.55 -0.08 0.23 0.00 0.00 176.35 178.20 3hx2 h GLU 46 N 6.06 -0.45 -0.94 1.70 4.81 -1.91 -0.76 114.58 123.08 3hx2 h GLU 46 Ca 0.09 0.03 0.18 0.00 -0.13 0.00 0.00 59.36 59.52 3hx2 h GLU 46 Cb 0.83 0.10 -0.08 0.00 0.63 0.00 0.00 28.75 30.23 3hx2 h GLU 46 CO 0.76 -0.30 0.60 0.78 -0.73 0.00 0.00 179.01 180.12 3hx2 h GLY 47 N -0.47 1.30 0.60 1.92 0.00 -1.95 0.52 103.07 104.99 3hx2 h GLY 47 Ca 0.06 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 3hx2 h GLY 47 CO -0.53 0.01 -0.10 -2.08 0.00 0.00 0.00 176.54 173.85 3hx2 h VAL 48 N 0.63 1.39 -0.35 4.60 2.07 -1.75 -1.83 116.25 121.02 3hx2 h VAL 48 Ca 0.50 -1.33 0.07 0.00 0.82 0.00 0.00 66.70 66.76 3hx2 h VAL 48 Cb 0.93 2.13 -0.06 0.00 -1.52 0.00 0.00 31.29 32.76 3hx2 h VAL 48 CO -0.25 0.37 -0.03 -1.28 0.02 0.00 0.00 177.57 176.40 3hx2 h SER 49 N -0.28 -0.20 -0.78 0.57 0.87 0.18 -1.15 113.55 112.76 3hx2 h SER 49 Ca 0.01 0.09 0.03 0.00 -1.23 0.00 0.00 61.79 60.69 3hx2 h SER 49 Cb 0.64 0.17 -0.05 0.00 -0.44 0.00 0.00 62.40 62.72 3hx2 h SER 49 CO 0.02 -0.06 0.49 -0.74 -0.53 0.00 0.00 176.83 176.01 3hx2 h HIS 50 N 0.07 0.92 -0.34 2.24 6.17 -0.02 -1.47 115.15 122.72 3hx2 h HIS 50 Ca 0.17 0.02 0.02 0.00 0.71 0.00 0.00 60.37 61.29 3hx2 h HIS 50 Cb 0.25 -0.31 -0.02 0.00 2.52 0.00 0.00 27.41 29.85 3hx2 h HIS 50 CO -0.27 0.53 0.19 0.35 0.71 0.00 0.00 177.93 179.44 3hx2 h PHE 51 N 0.96 0.36 0.00 5.26 3.57 -0.35 -1.69 116.94 125.05 3hx2 h PHE 51 Ca 0.31 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.79 3hx2 h PHE 51 Cb 0.01 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.63 3hx2 h PHE 51 CO -0.03 0.21 -0.16 0.74 -2.23 0.00 0.00 178.31 176.84 3hx2 h PHE 52 N 0.39 0.00 0.02 0.41 0.05 -1.04 -2.87 116.94 113.90 3hx2 h PHE 52 Ca 0.14 0.00 -0.21 0.00 3.82 0.00 0.00 57.97 61.72 3hx2 h PHE 52 Cb 0.01 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 37.95 3hx2 h PHE 52 CO -0.08 0.16 -0.94 0.00 -0.18 0.00 0.00 178.31 177.27 3hx2 h ARG 53 N 0.00 0.14 -0.17 1.51 3.08 -0.61 -2.51 114.38 115.82 3hx2 h ARG 53 Ca -0.00 -0.17 -0.11 0.00 0.07 0.00 0.00 59.98 59.76 3hx2 h ARG 53 Cb 0.73 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 3hx2 h ARG 53 CO 0.02 0.97 -0.39 0.93 -1.07 0.00 0.00 179.97 180.44 3hx2 h GLU 54 N 0.07 0.37 -0.25 0.04 5.08 -1.19 -2.57 114.58 116.12 3hx2 h GLU 54 Ca -0.04 -0.17 -0.13 0.00 -1.00 0.00 0.00 59.36 58.01 3hx2 h GLU 54 Cb 1.61 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.84 3hx2 h GLU 54 CO 0.14 0.70 -0.38 -0.07 -1.00 0.00 0.00 179.01 178.41 3hx2 h LEU 55 N 0.31 0.60 -0.95 1.33 3.38 -1.42 -1.57 115.31 117.00 3hx2 h LEU 55 Ca 0.03 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 3hx2 h LEU 55 Cb 0.82 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 3hx2 h LEU 55 CO 0.07 0.92 0.16 0.00 0.09 0.00 0.00 178.44 179.68 3hx2 h ALA 56 N 1.11 1.15 0.00 1.53 0.00 -1.18 -1.28 119.26 120.59 3hx2 h ALA 56 Ca 0.05 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 3hx2 h ALA 56 Cb 0.87 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3hx2 h ALA 56 CO 0.07 0.58 -0.68 1.49 0.00 0.00 0.00 179.25 180.72 3hx2 h GLU 57 N 0.90 0.00 -0.10 0.00 4.57 -1.17 -2.15 114.58 116.62 3hx2 h GLU 57 Ca 0.20 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.21 3hx2 h GLU 57 Cb 0.30 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 3hx2 h GLU 57 CO -0.00 0.68 -0.66 0.93 -1.18 0.00 0.00 179.01 178.77 3hx2 h GLU 58 N 0.00 0.41 -0.25 1.92 5.08 -0.70 -0.83 114.58 120.21 3hx2 h GLU 58 Ca -0.01 -0.31 -0.13 0.00 -1.00 0.00 0.00 59.36 57.92 3hx2 h GLU 58 Cb 1.22 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 3hx2 h GLU 58 CO 0.09 0.93 -0.37 0.87 -1.00 0.00 0.00 179.01 179.53 3hx2 h LYS 59 N 0.30 0.56 -0.41 2.33 1.79 -1.16 -0.64 116.57 119.34 3hx2 h LYS 59 Ca -0.02 -0.27 -0.02 0.00 -2.18 0.00 0.00 60.65 58.17 3hx2 h LYS 59 Cb 1.21 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.84 3hx2 h LYS 59 CO 0.11 0.85 0.19 -0.09 -1.08 0.00 0.00 179.45 179.43 3hx2 h ARG 60 N 0.47 0.60 0.00 3.15 2.43 -1.11 0.70 114.38 120.62 3hx2 h ARG 60 Ca 0.05 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3hx2 h ARG 60 Cb 0.86 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.31 3hx2 h ARG 60 CO 0.07 0.53 -0.03 0.93 -1.51 0.00 0.00 179.97 179.97 3hx2 h GLU 61 N 0.52 0.00 0.16 0.20 5.08 -0.83 -2.09 114.58 117.61 3hx2 h GLU 61 Ca 0.14 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3hx2 h GLU 61 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3hx2 h GLU 61 CO -0.02 0.03 -0.08 0.78 -1.00 0.00 0.00 179.01 178.73 3hx2 h GLY 62 N 1.09 -0.22 1.72 -3.84 0.00 0.66 -2.36 103.07 100.11 3hx2 h GLY 62 Ca -0.00 0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.45 3hx2 h GLY 62 CO 0.00 -0.08 0.11 0.10 0.00 0.00 0.00 176.54 176.67 3hx2 h TYR 63 N -0.68 0.00 -0.44 5.60 -0.00 -1.06 -0.38 116.97 120.02 3hx2 h TYR 63 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 58.73 58.62 3hx2 h TYR 63 Cb 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.88 3hx2 h TYR 63 CO 0.02 0.00 -0.07 0.93 -0.00 0.00 0.00 178.16 179.04 3hx2 h GLU 64 N 0.00 0.82 -0.34 0.10 5.08 -1.46 -0.84 114.58 117.93 3hx2 h GLU 64 Ca 0.06 -0.30 -0.06 0.00 -1.00 0.00 0.00 59.36 58.07 3hx2 h GLU 64 Cb 0.27 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3hx2 h GLU 64 CO -0.00 0.92 -0.04 -0.09 -1.00 0.00 0.00 179.01 178.80 3hx2 h ARG 65 N 0.65 0.55 -0.11 2.33 2.43 -0.53 -1.99 114.38 117.72 3hx2 h ARG 65 Ca 0.12 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3hx2 h ARG 65 Cb 0.59 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.07 3hx2 h ARG 65 CO 0.04 0.60 -0.02 -0.07 -1.51 0.00 0.00 179.97 179.00 3hx2 h LEU 66 N 0.52 0.21 -1.27 3.80 3.38 -1.04 -2.29 115.31 118.62 3hx2 h LEU 66 Ca 0.11 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 3hx2 h LEU 66 Cb 0.39 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3hx2 h LEU 66 CO 0.02 0.53 -0.03 -0.07 0.09 0.00 0.00 178.44 178.98 3hx2 h LEU 67 N -0.10 0.43 -0.98 1.67 3.38 -1.00 0.25 115.31 118.95 3hx2 h LEU 67 Ca 0.03 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 3hx2 h LEU 67 Cb 0.43 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3hx2 h LEU 67 CO 0.01 0.52 -0.46 0.50 0.09 0.00 0.00 178.44 179.10 3hx2 h LYS 68 N 0.44 0.11 0.06 1.13 3.64 -1.31 -2.20 116.57 118.44 3hx2 h LYS 68 Ca 0.09 -0.06 -0.26 0.00 -1.27 0.00 0.00 60.65 59.15 3hx2 h LYS 68 Cb 0.33 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.18 3hx2 h LYS 68 CO 0.01 0.55 -1.07 1.98 -2.27 0.00 0.00 179.45 178.66 3hx2 h MET 69 N 0.09 0.63 -0.92 1.90 4.05 -0.70 -2.74 114.93 117.24 3hx2 h MET 69 Ca 0.00 -0.75 0.11 0.00 -0.28 0.00 0.00 59.70 58.79 3hx2 h MET 69 Cb 0.85 0.23 -0.07 0.00 -0.80 0.00 0.00 31.60 31.81 3hx2 h MET 69 CO 0.07 1.32 0.59 0.37 0.23 0.00 0.00 176.91 179.49 3hx2 h GLN 70 N 0.26 0.86 -0.06 0.39 5.75 -0.25 -0.68 115.11 121.38 3hx2 h GLN 70 Ca -0.15 -0.05 -0.21 0.00 -0.15 0.00 0.00 58.65 58.09 3hx2 h GLN 70 Cb 1.74 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 30.10 3hx2 h GLN 70 CO 0.21 0.57 -0.83 -0.91 -2.65 0.00 0.00 178.83 175.21 3hx2 h ASN 71 N 0.88 0.63 -0.03 -0.69 2.35 -1.42 0.01 115.58 117.31 3hx2 h ASN 71 Ca 0.44 -0.45 -0.08 0.00 -0.55 0.00 0.00 56.30 55.66 3hx2 h ASN 71 Cb 0.49 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 3hx2 h ASN 71 CO -0.21 1.22 -0.22 1.56 -1.65 0.00 0.00 177.43 178.14 3hx2 h GLN 72 N 0.33 0.42 0.00 0.81 4.20 -0.95 -2.91 115.11 117.01 3hx2 h GLN 72 Ca -0.06 -0.14 -0.10 0.00 0.06 0.00 0.00 58.65 58.41 3hx2 h GLN 72 Cb 1.44 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.17 3hx2 h GLN 72 CO 0.15 0.62 -0.46 0.00 -0.67 0.00 0.00 178.83 178.48 3hx2 h ARG 73 N 0.38 0.00 0.00 1.46 2.47 -1.21 -3.48 114.38 114.01 3hx2 h ARG 73 Ca 0.06 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 3hx2 h ARG 73 Cb 0.60 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.92 3hx2 h ARG 73 CO 0.04 0.46 0.00 0.41 0.56 0.00 0.00 179.97 181.44 3hx2 n GLY 74 N 1.11 1.00 3.93 0.04 0.00 -1.10 -4.04 105.19 106.12 3hx2 n GLY 74 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 3hx2 n GLY 74 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hx2 s GLY 75 N -1.40 1.70 -0.14 -0.02 0.00 -0.02 -4.55 107.32 102.88 3hx2 s GLY 75 Ca 0.00 -1.04 0.02 0.00 0.00 0.00 0.00 44.72 43.70 3hx2 s GLY 75 CO 0.00 -0.51 -0.19 0.50 0.00 0.00 0.00 173.10 172.90 3hx2 s ARG 76 N -5.45 2.69 0.13 2.90 1.81 -1.26 -4.33 118.95 115.45 3hx2 s ARG 76 Ca 0.64 -0.73 -0.31 0.00 -1.72 0.00 0.00 55.73 53.62 3hx2 s ARG 76 Cb -0.08 -2.26 -0.10 0.00 -0.45 0.00 0.00 34.95 32.05 3hx2 s ARG 76 CO 0.47 -0.10 1.71 0.00 -0.68 0.00 0.00 175.30 176.71 3hx2 s ALA 77 N 1.05 3.78 -0.11 2.13 0.00 -1.26 -5.00 121.76 122.35 3hx2 s ALA 77 Ca -0.03 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.33 3hx2 s ALA 77 Cb -0.14 -3.71 0.02 0.00 0.00 0.00 0.00 23.12 19.29 3hx2 s ALA 77 CO -0.05 -1.05 -0.11 -0.51 0.00 0.00 0.00 175.76 174.04 3hx2 s LEU 78 N 2.12 1.42 0.07 0.00 1.43 -1.26 -5.14 118.68 117.32 3hx2 s LEU 78 Ca 0.76 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 53.53 3hx2 s LEU 78 Cb -0.45 -0.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.81 3hx2 s LEU 78 CO 0.33 -0.06 0.11 -0.36 0.23 0.00 0.00 176.35 176.61 3hx2 s PHE 79 N 1.38 3.29 0.40 0.29 0.08 -1.26 -4.87 117.98 117.29 3hx2 s PHE 79 Ca -0.00 0.14 0.04 0.00 0.12 0.00 0.00 56.93 57.22 3hx2 s PHE 79 Cb -0.13 -1.67 -0.03 0.00 -0.57 0.00 0.00 43.02 40.62 3hx2 s PHE 79 CO -0.06 0.54 0.12 -0.65 -0.10 0.00 0.00 175.22 175.07 3hx2 s GLN 80 N -2.35 1.90 0.63 0.44 1.11 -1.26 -5.12 119.66 115.00 3hx2 s GLN 80 Ca 0.30 -2.15 -0.19 0.00 0.01 0.00 0.00 55.36 53.33 3hx2 s GLN 80 Cb -0.12 -0.66 -0.02 0.00 -1.01 0.00 0.00 33.01 31.19 3hx2 s GLN 80 CO 0.23 -0.44 1.29 -0.51 0.01 0.00 0.00 175.29 175.86 3hx2 s ASP 81 N -3.60 4.78 -0.55 5.90 -0.00 -1.26 -4.96 116.67 116.97 3hx2 s ASP 81 Ca 0.25 2.60 -0.12 0.00 -0.00 0.00 0.00 52.55 55.28 3hx2 s ASP 81 Cb 0.03 -2.62 0.14 0.00 -0.00 0.00 0.00 42.92 40.47 3hx2 s ASP 81 CO 0.14 -1.89 0.46 -0.63 -0.00 0.00 0.00 175.17 173.26 3hx2 s ILE 82 N -1.42 4.72 0.25 0.77 1.01 -1.26 -5.06 121.20 120.21 3hx2 s ILE 82 Ca 0.81 -1.86 -0.31 0.00 0.00 0.00 0.00 60.65 59.29 3hx2 s ILE 82 Cb -0.37 -4.05 -0.13 0.00 0.01 0.00 0.00 42.46 37.93 3hx2 s ILE 82 CO 0.39 -0.85 1.42 0.29 0.00 0.00 0.00 174.94 176.19 3hx2 n LYS 83 N 4.80 2.10 -0.89 2.79 5.02 -1.26 -4.96 118.16 125.77 3hx2 n LYS 83 Ca -0.06 0.75 -0.33 0.00 -2.02 0.00 0.00 58.31 56.65 3hx2 n LYS 83 Cb 0.41 -2.41 0.13 0.00 -0.02 0.00 0.00 35.03 33.14 3hx2 n LYS 83 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 3hx2 n LYS 84 N 1.98 -0.16 -1.20 1.97 2.85 -1.26 -4.88 118.16 117.46 3hx2 n LYS 84 Ca 0.11 0.02 -0.34 0.00 -1.05 0.00 0.00 58.31 57.05 3hx2 n LYS 84 Cb 0.32 -2.20 0.12 0.00 -0.65 0.00 0.00 35.03 32.62 3hx2 n LYS 84 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 177.40 175.21 3hx2 s PRO 85 N -4.03 1.78 0.54 -1.58 0.02 -1.26 -4.90 135.00 125.57 3hx2 s PRO 85 Ca 0.66 1.75 0.25 0.00 0.02 0.00 0.00 61.00 63.69 3hx2 s PRO 85 Cb -0.25 -1.79 1.54 0.00 0.02 0.00 0.00 34.50 34.02 3hx2 s PRO 85 CO 0.59 -2.11 2.15 0.00 -0.33 0.00 0.00 177.00 177.30 3hx2 h ALA 86 N -0.74 1.53 -2.25 -1.55 0.00 -1.98 -3.44 119.26 110.82 3hx2 h ALA 86 Ca -0.47 -0.06 -0.31 0.00 0.00 0.00 0.00 54.91 54.08 3hx2 h ALA 86 Cb 1.30 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.93 3hx2 h ALA 86 CO 0.47 0.08 -0.67 -1.21 0.00 0.00 0.00 179.25 177.91 3hx2 s GLU 87 N -4.55 1.11 -0.19 0.00 0.41 -1.26 -5.04 118.70 109.18 3hx2 s GLU 87 Ca -0.04 -1.52 0.09 0.00 -0.41 0.00 0.00 54.97 53.08 3hx2 s GLU 87 Cb 0.15 -0.39 -0.18 0.00 -1.78 0.00 0.00 34.13 31.93 3hx2 s GLU 87 CO 0.59 -0.07 -0.06 -0.25 -0.49 0.00 0.00 175.26 174.98 3hx2 n ASP 88 N -0.25 1.49 -4.20 -0.19 8.00 -1.26 -4.93 116.55 115.21 3hx2 n ASP 88 Ca -0.07 -0.06 -0.28 0.00 0.71 0.00 0.00 54.79 55.09 3hx2 n ASP 88 Cb 0.63 0.33 -0.16 0.00 -0.02 0.00 0.00 41.12 41.90 3hx2 n ASP 88 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hx2 s GLU 89 N -2.42 1.93 -0.10 -1.24 2.02 -1.26 -4.99 118.70 112.64 3hx2 s GLU 89 Ca -0.18 -0.73 0.15 0.00 0.02 0.00 0.00 54.97 54.23 3hx2 s GLU 89 Cb 0.06 -1.73 0.54 0.00 0.10 0.00 0.00 34.13 33.10 3hx2 s GLU 89 CO 0.61 0.35 1.45 0.91 0.02 0.00 0.00 175.26 178.60 3hx2 n TRP 90 N 2.88 1.02 -4.77 1.61 7.02 -1.26 -5.09 117.44 118.85 3hx2 n TRP 90 Ca -0.17 -0.67 0.00 0.00 -1.02 0.00 0.00 57.50 55.64 3hx2 n TRP 90 Cb 0.53 -0.21 0.00 0.00 -2.42 0.00 0.00 31.31 29.21 3hx2 n TRP 90 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3hx2 n GLY 91 N 0.38 2.00 3.94 6.99 0.00 -1.26 -3.65 105.19 113.59 3hx2 n GLY 91 Ca 0.20 -0.55 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 3hx2 n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hx2 s LYS 92 N 0.00 3.50 0.18 1.61 1.02 -1.26 -4.89 119.74 119.90 3hx2 s LYS 92 Ca 0.00 -0.35 -0.14 0.00 0.02 0.00 0.00 55.97 55.50 3hx2 s LYS 92 Cb 0.00 -2.73 0.17 0.00 -0.52 0.00 0.00 37.83 34.75 3hx2 s LYS 92 CO 0.00 0.24 1.21 2.41 -0.92 0.00 0.00 175.35 178.30 3hx2 n THR 93 N -1.39 -0.42 -0.37 2.17 -1.04 -1.26 0.20 114.28 112.17 3hx2 n THR 93 Ca -0.05 1.83 0.03 0.00 -2.04 0.00 0.00 64.05 63.83 3hx2 n THR 93 Cb 0.55 -2.41 0.19 0.00 -1.82 0.00 0.00 70.33 66.84 3hx2 n THR 93 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3hx2 h PRO 94 N 0.00 1.11 -0.48 -2.82 0.11 -1.95 0.70 132.00 128.68 3hx2 h PRO 94 Ca 0.26 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3hx2 h PRO 94 Cb 0.46 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 3hx2 h PRO 94 CO -0.77 0.74 0.31 -0.44 -0.21 0.00 0.00 178.00 177.63 3hx2 h ASP 95 N 1.15 0.56 -0.11 -2.05 3.45 -0.54 -0.43 116.42 118.45 3hx2 h ASP 95 Ca 0.44 -0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.86 3hx2 h ASP 95 Cb 0.21 -0.14 -0.00 0.00 -0.56 0.00 0.00 39.33 38.84 3hx2 h ASP 95 CO -0.18 0.42 -0.00 0.00 -1.57 0.00 0.00 179.24 177.90 3hx2 h ALA 96 N 1.17 0.15 -0.34 3.45 0.00 -0.88 -1.92 119.26 120.90 3hx2 h ALA 96 Ca 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hx2 h ALA 96 Cb -0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3hx2 h ALA 96 CO -0.04 -0.15 0.17 1.98 0.00 0.00 0.00 179.25 181.21 3hx2 h MET 97 N -0.08 0.46 -0.51 0.00 -1.53 -0.75 0.20 114.93 112.74 3hx2 h MET 97 Ca 0.03 -0.04 -0.11 0.00 -3.44 0.00 0.00 59.70 56.14 3hx2 h MET 97 Cb 0.37 -0.10 -0.02 0.00 -0.55 0.00 0.00 31.60 31.31 3hx2 h MET 97 CO 0.01 0.36 -0.11 0.87 0.14 0.00 0.00 176.91 178.18 3hx2 h LYS 98 N 0.47 0.97 -0.65 0.39 1.57 -0.91 -1.74 116.57 116.66 3hx2 h LYS 98 Ca 0.12 -0.36 -0.07 0.00 -1.87 0.00 0.00 60.65 58.47 3hx2 h LYS 98 Cb 0.04 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 3hx2 h LYS 98 CO -0.02 1.03 0.12 0.00 -0.57 0.00 0.00 179.45 180.01 3hx2 h ALA 99 N 0.90 0.98 -0.28 3.86 0.00 -0.35 -1.71 119.26 122.67 3hx2 h ALA 99 Ca 0.13 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3hx2 h ALA 99 Cb 0.67 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3hx2 h ALA 99 CO 0.05 0.65 0.16 0.00 0.00 0.00 0.00 179.25 180.11 3hx2 h ALA 100 N 1.13 0.36 -0.41 0.00 0.00 -0.44 -1.71 119.26 118.18 3hx2 h ALA 100 Ca 0.20 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3hx2 h ALA 100 Cb 0.41 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3hx2 h ALA 100 CO 0.01 -0.13 0.24 1.98 0.00 0.00 0.00 179.25 181.35 3hx2 h MET 101 N 0.35 0.47 -0.55 0.00 -1.53 -1.08 -0.76 114.93 111.83 3hx2 h MET 101 Ca 0.10 -0.03 -0.00 0.00 -3.44 0.00 0.00 59.70 56.33 3hx2 h MET 101 Cb 0.03 -0.11 -0.03 0.00 -0.55 0.00 0.00 31.60 30.95 3hx2 h MET 101 CO -0.02 0.31 0.34 0.00 0.14 0.00 0.00 176.91 177.68 3hx2 h ALA 102 N 1.19 1.57 -0.15 0.39 0.00 -1.07 -0.44 119.26 120.74 3hx2 h ALA 102 Ca 0.17 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3hx2 h ALA 102 Cb 0.02 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3hx2 h ALA 102 CO -0.08 0.39 -0.12 1.25 0.00 0.00 0.00 179.25 180.69 3hx2 h LEU 103 N 0.75 0.37 -1.07 0.00 5.85 -0.73 -2.70 115.31 117.78 3hx2 h LEU 103 Ca 0.20 -0.46 -0.04 0.00 0.84 0.00 0.00 57.88 58.42 3hx2 h LEU 103 Cb -0.05 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 3hx2 h LEU 103 CO -0.04 0.75 0.17 -0.33 -0.34 0.00 0.00 178.44 178.64 3hx2 h GLU 104 N -0.00 0.83 -0.41 1.25 4.39 -0.61 -1.49 114.58 118.53 3hx2 h GLU 104 Ca 0.03 -0.15 -0.12 0.00 0.34 0.00 0.00 59.36 59.46 3hx2 h GLU 104 Cb 0.63 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 3hx2 h GLU 104 CO 0.03 0.72 -0.22 0.87 -1.16 0.00 0.00 179.01 179.26 3hx2 h LYS 105 N 0.81 0.81 -0.57 2.33 1.57 -1.11 -0.18 116.57 120.23 3hx2 h LYS 105 Ca 0.18 -0.33 -0.07 0.00 -1.87 0.00 0.00 60.65 58.56 3hx2 h LYS 105 Cb 0.25 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 3hx2 h LYS 105 CO -0.01 0.95 0.07 -0.22 -0.57 0.00 0.00 179.45 179.67 3hx2 h LYS 106 N 0.71 0.93 -0.04 3.15 3.64 -1.07 0.69 116.57 124.59 3hx2 h LYS 106 Ca 0.10 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 3hx2 h LYS 106 Cb 0.74 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3hx2 h LYS 106 CO 0.06 0.88 -0.02 -0.07 -2.27 0.00 0.00 179.45 178.04 3hx2 h LEU 107 N 0.88 0.08 -1.15 5.20 3.38 -1.11 -1.97 115.31 120.63 3hx2 h LEU 107 Ca 0.18 -0.41 0.08 0.00 0.09 0.00 0.00 57.88 57.82 3hx2 h LEU 107 Cb 0.42 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 3hx2 h LEU 107 CO 0.01 0.48 0.59 -1.13 0.09 0.00 0.00 178.44 178.48 3hx2 h ASN 108 N -0.31 0.88 -0.43 -0.43 -1.24 -0.81 0.20 115.58 113.43 3hx2 h ASN 108 Ca 0.01 0.02 -0.04 0.00 0.71 0.00 0.00 56.30 56.99 3hx2 h ASN 108 Cb 0.44 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 39.31 3hx2 h ASN 108 CO 0.01 0.54 0.09 -0.61 -1.29 0.00 0.00 177.43 176.17 3hx2 h GLN 109 N 0.98 0.70 -0.38 6.67 5.75 -0.75 -0.31 115.11 127.78 3hx2 h GLN 109 Ca 0.41 -0.17 -0.06 0.00 -0.15 0.00 0.00 58.65 58.67 3hx2 h GLN 109 Cb 0.30 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 3hx2 h GLN 109 CO -0.17 0.71 -0.04 0.00 -2.65 0.00 0.00 178.83 176.69 3hx2 h ALA 110 N 0.96 1.23 -0.30 3.38 0.00 -0.37 0.07 119.26 124.23 3hx2 h ALA 110 Ca 0.13 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3hx2 h ALA 110 Cb 0.34 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3hx2 h ALA 110 CO 0.00 0.50 0.10 -0.07 0.00 0.00 0.00 179.25 179.79 3hx2 h LEU 111 N 0.58 0.42 0.12 0.00 3.38 -0.18 -1.40 115.31 118.23 3hx2 h LEU 111 Ca 0.11 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3hx2 h LEU 111 Cb 0.42 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3hx2 h LEU 111 CO 0.02 0.50 -0.06 -0.07 0.09 0.00 0.00 178.44 178.92 3hx2 h LEU 112 N 0.32 -0.13 -1.42 1.67 3.38 -0.60 -0.98 115.31 117.54 3hx2 h LEU 112 Ca 0.10 -0.10 0.13 0.00 0.09 0.00 0.00 57.88 58.10 3hx2 h LEU 112 Cb 0.22 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 3hx2 h LEU 112 CO -0.00 0.02 0.53 0.44 0.09 0.00 0.00 178.44 179.51 3hx2 h ASP 113 N -0.28 0.54 -0.22 -0.43 3.45 -0.93 0.25 116.42 118.80 3hx2 h ASP 113 Ca -0.02 0.03 -0.19 0.00 0.43 0.00 0.00 57.03 57.28 3hx2 h ASP 113 Cb 0.23 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 38.92 3hx2 h ASP 113 CO 0.03 0.29 -0.58 0.25 -1.57 0.00 0.00 179.24 177.65 3hx2 h LEU 114 N 0.58 0.93 -1.09 1.55 5.85 -0.97 -2.06 115.31 120.10 3hx2 h LEU 114 Ca 0.40 -0.51 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 3hx2 h LEU 114 Cb 0.71 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 3hx2 h LEU 114 CO -0.15 1.30 -0.10 -0.74 -0.34 0.00 0.00 178.44 178.41 3hx2 h HIS 115 N 0.62 0.56 0.65 1.25 2.76 0.46 0.56 115.15 122.02 3hx2 h HIS 115 Ca 0.00 -0.08 -0.03 0.00 -2.20 0.00 0.00 60.37 58.06 3hx2 h HIS 115 Cb 1.19 -0.15 0.01 0.00 1.55 0.00 0.00 27.41 30.00 3hx2 h HIS 115 CO 0.07 0.62 -0.31 0.00 -1.30 0.00 0.00 177.93 177.00 3hx2 h ALA 116 N 1.41 -0.88 -0.31 5.26 0.00 -0.45 0.08 119.26 124.36 3hx2 h ALA 116 Ca 0.09 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.87 3hx2 h ALA 116 Cb 0.47 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3hx2 h ALA 116 CO 0.03 -0.95 0.22 1.25 0.00 0.00 0.00 179.25 179.79 3hx2 h LEU 117 N -0.95 0.10 -0.51 0.00 5.85 -1.13 -0.23 115.31 118.45 3hx2 h LEU 117 Ca -0.09 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.53 3hx2 h LEU 117 Cb 0.69 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 3hx2 h LEU 117 CO 0.15 0.07 -0.09 1.23 -0.34 0.00 0.00 178.44 179.45 3hx2 h GLY 118 N 0.12 1.04 1.77 3.75 0.00 -0.29 -1.39 103.07 108.07 3hx2 h GLY 118 Ca 0.14 -0.84 -0.14 0.00 0.00 0.00 0.00 47.33 46.50 3hx2 h GLY 118 CO -0.02 0.77 -0.56 1.76 0.00 0.00 0.00 176.54 178.49 3hx2 h SER 119 N 0.82 0.27 -0.23 0.19 0.02 0.63 -1.06 113.55 114.20 3hx2 h SER 119 Ca 0.13 -0.14 -0.09 0.00 -0.84 0.00 0.00 61.79 60.84 3hx2 h SER 119 Cb 0.65 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.10 3hx2 h SER 119 CO 0.04 0.77 -0.16 0.00 -1.14 0.00 0.00 176.83 176.34 3hx2 h ALA 120 N 1.23 1.04 -0.60 3.77 0.00 -0.80 -2.50 119.26 121.40 3hx2 h ALA 120 Ca 0.00 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 3hx2 h ALA 120 Cb 1.04 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 3hx2 h ALA 120 CO 0.09 0.58 0.14 0.54 0.00 0.00 0.00 179.25 180.60 3hx2 n ARG 121 N -4.15 3.86 -3.93 0.00 5.12 -0.55 -4.95 116.66 112.06 3hx2 n ARG 121 Ca 0.01 -2.74 -0.30 0.00 -1.93 0.00 0.00 57.85 52.89 3hx2 n ARG 121 Cb 0.38 -2.14 -0.02 0.00 -1.16 0.00 0.00 32.46 29.52 3hx2 n ARG 121 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3hx2 n THR 122 N 0.18 -1.45 -3.66 0.55 -2.24 -0.94 -4.90 114.28 101.81 3hx2 n THR 122 Ca 0.31 -0.40 -0.37 0.00 -2.27 0.00 0.00 64.05 61.32 3hx2 n THR 122 Cb 1.20 -1.27 -0.08 0.00 -2.10 0.00 0.00 70.33 68.07 3hx2 n THR 122 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hx2 s ASP 123 N -3.96 5.57 0.21 3.42 2.15 -0.42 -4.95 116.67 118.70 3hx2 s ASP 123 Ca 0.23 -3.08 -0.10 0.00 0.43 0.00 0.00 52.55 50.03 3hx2 s ASP 123 Cb -0.13 -1.90 0.16 0.00 -0.30 0.00 0.00 42.92 40.75 3hx2 s ASP 123 CO 0.72 -0.34 1.88 1.55 -0.17 0.00 0.00 175.17 178.81 3hx2 h PRO 124 N 6.82 1.00 -0.63 4.34 0.13 -1.91 -2.71 132.00 139.04 3hx2 h PRO 124 Ca 0.04 -0.06 0.06 0.00 -0.87 0.00 0.00 66.00 65.17 3hx2 h PRO 124 Cb 0.92 -0.23 -0.06 0.00 0.13 0.00 0.00 31.00 31.77 3hx2 h PRO 124 CO 0.75 0.66 0.34 1.25 -0.23 0.00 0.00 178.00 180.77 3hx2 h HIS 125 N 1.03 0.61 -0.15 1.56 2.76 -1.97 0.37 115.15 119.37 3hx2 h HIS 125 Ca 0.28 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.47 3hx2 h HIS 125 Cb -0.12 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 28.65 3hx2 h HIS 125 CO -0.02 0.28 0.06 1.25 -1.30 0.00 0.00 177.93 178.21 3hx2 h LEU 126 N 0.62 0.20 -0.57 0.26 5.85 -1.92 -0.52 115.31 119.23 3hx2 h LEU 126 Ca 0.29 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.90 3hx2 h LEU 126 Cb 0.20 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 3hx2 h LEU 126 CO -0.19 0.29 0.31 0.00 -0.34 0.00 0.00 178.44 178.51 3hx2 h ASP 128 N 0.60 0.75 -0.50 0.00 3.58 -0.80 -0.48 116.42 119.56 3hx2 h ASP 128 Ca 0.25 -0.26 0.02 0.00 0.42 0.00 0.00 57.03 57.46 3hx2 h ASP 128 Cb 0.12 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 40.93 3hx2 h ASP 128 CO -0.15 0.94 0.30 0.15 -2.88 0.00 0.00 179.24 177.60 3hx2 h PHE 129 N 0.65 0.56 -0.19 0.28 3.04 -0.54 0.93 116.94 121.66 3hx2 h PHE 129 Ca 0.09 0.02 -0.16 0.00 3.98 0.00 0.00 57.97 61.90 3hx2 h PHE 129 Cb 0.71 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 39.03 3hx2 h PHE 129 CO 0.03 0.32 -0.55 -0.07 -2.02 0.00 0.00 178.31 176.03 3hx2 h LEU 130 N 0.60 0.64 -0.20 0.59 3.38 -0.94 -2.34 115.31 117.04 3hx2 h LEU 130 Ca 0.20 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3hx2 h LEU 130 Cb 0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3hx2 h LEU 130 CO -0.09 1.06 0.03 -0.33 0.09 0.00 0.00 178.44 179.20 3hx2 h GLU 131 N 0.45 0.33 0.00 1.13 5.08 -0.71 -0.31 114.58 120.54 3hx2 h GLU 131 Ca 0.01 -0.09 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 3hx2 h GLU 131 Cb 1.10 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 3hx2 h GLU 131 CO 0.10 0.49 -0.51 1.15 -1.00 0.00 0.00 179.01 179.25 3hx2 h THR 132 N 0.12 1.09 0.00 1.13 2.02 -0.85 -3.34 112.91 113.07 3hx2 h THR 132 Ca 0.06 -1.93 0.00 0.00 0.77 0.00 0.00 66.41 65.31 3hx2 h THR 132 Cb 0.32 2.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.86 3hx2 h THR 132 CO 0.00 0.50 0.00 1.41 0.37 0.00 0.00 175.52 177.80 3hx2 n HIS 133 N -3.54 0.00 0.00 3.16 8.25 -0.88 -4.92 115.22 117.29 3hx2 n HIS 133 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3hx2 n HIS 133 Cb 0.60 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.71 3hx2 n HIS 133 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3hx2 n PHE 134 N -0.74 0.00 0.03 4.41 3.72 -0.75 -4.74 117.46 119.39 3hx2 n PHE 134 Ca 0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.29 3hx2 n PHE 134 Cb 0.00 0.19 -0.05 0.00 -0.94 0.00 0.00 39.48 38.69 3hx2 n PHE 134 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3hx2 h LEU 135 N 0.00 -0.98 -1.24 4.37 3.38 -1.23 -1.84 115.31 117.77 3hx2 h LEU 135 Ca 0.00 0.14 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 3hx2 h LEU 135 Cb 0.57 0.40 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3hx2 h LEU 135 CO 0.00 -0.37 -0.37 -0.78 0.09 0.00 0.00 178.44 177.01 3hx2 h ASP 136 N -0.43 0.00 0.29 -0.43 -0.00 -1.83 -2.76 116.42 111.26 3hx2 h ASP 136 Ca 0.08 0.00 -0.09 0.00 -0.00 0.00 0.00 57.03 57.02 3hx2 h ASP 136 Cb 0.55 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.87 3hx2 h ASP 136 CO -0.31 0.37 -0.37 -0.33 -0.00 0.00 0.00 179.24 178.60 3hx2 h GLU 137 N 0.00 0.11 0.12 0.28 4.39 -1.72 -2.26 114.58 115.50 3hx2 h GLU 137 Ca -0.00 -0.05 -0.29 0.00 0.34 0.00 0.00 59.36 59.36 3hx2 h GLU 137 Cb 0.69 -0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.37 3hx2 h GLU 137 CO 0.05 0.47 -1.22 0.93 -1.16 0.00 0.00 179.01 178.07 3hx2 h GLU 138 N 0.10 0.62 -0.08 2.33 4.39 -1.11 -2.72 114.58 118.10 3hx2 h GLU 138 Ca 0.01 -0.82 0.01 0.00 0.34 0.00 0.00 59.36 58.90 3hx2 h GLU 138 Cb 0.70 0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 29.61 3hx2 h GLU 138 CO 0.05 1.38 0.01 0.28 -1.16 0.00 0.00 179.01 179.57 3hx2 h VAL 139 N 0.25 0.96 -0.55 3.13 2.07 -1.37 0.18 116.25 120.92 3hx2 h VAL 139 Ca -0.19 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 3hx2 h VAL 139 Cb 1.90 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 3hx2 h VAL 139 CO 0.23 0.01 0.11 0.11 0.02 0.00 0.00 177.57 178.05 3hx2 h LYS 140 N 0.04 0.87 -0.16 1.57 1.57 -1.51 -1.44 116.57 117.51 3hx2 h LYS 140 Ca 0.04 -0.19 -0.13 0.00 -1.87 0.00 0.00 60.65 58.49 3hx2 h LYS 140 Cb 0.03 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.22 3hx2 h LYS 140 CO -0.05 0.79 -0.42 1.25 -0.57 0.00 0.00 179.45 180.45 3hx2 h LEU 141 N 0.83 0.65 -0.76 2.94 5.85 -1.17 -0.77 115.31 122.87 3hx2 h LEU 141 Ca 0.18 -0.58 -0.10 0.00 0.84 0.00 0.00 57.88 58.22 3hx2 h LEU 141 Cb 0.34 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 3hx2 h LEU 141 CO 0.00 1.11 -0.09 0.40 -0.34 0.00 0.00 178.44 179.52 3hx2 h ILE 142 N 0.21 1.26 0.06 4.05 2.04 -0.55 -0.73 117.51 123.85 3hx2 h ILE 142 Ca -0.01 -1.17 -0.00 0.00 1.00 0.00 0.00 64.86 64.68 3hx2 h ILE 142 Cb 1.04 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 3hx2 h ILE 142 CO 0.09 0.41 -0.03 0.50 0.00 0.00 0.00 178.15 179.12 3hx2 h LYS 143 N 0.76 -0.08 -0.90 2.37 1.63 -1.23 -0.58 116.57 118.54 3hx2 h LYS 143 Ca 0.13 0.01 0.06 0.00 -0.85 0.00 0.00 60.65 60.00 3hx2 h LYS 143 Cb 0.59 0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 32.18 3hx2 h LYS 143 CO 0.04 -0.05 0.56 -0.22 -3.45 0.00 0.00 179.45 176.33 3hx2 h LYS 144 N -0.08 0.99 0.00 1.90 3.64 -0.84 -0.59 116.57 121.59 3hx2 h LYS 144 Ca -0.01 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.23 3hx2 h LYS 144 Cb 0.06 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 3hx2 h LYS 144 CO 0.01 0.66 -0.37 0.52 -2.27 0.00 0.00 179.45 178.00 3hx2 h MET 145 N 1.02 0.00 0.05 1.90 2.86 -0.73 -2.45 114.93 117.58 3hx2 h MET 145 Ca 0.39 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 58.03 3hx2 h MET 145 Cb 0.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.84 3hx2 h MET 145 CO -0.18 0.37 -0.02 0.78 1.06 0.00 0.00 176.91 178.92 3hx2 h GLY 146 N 1.58 -0.07 0.36 8.32 0.00 0.44 -1.83 103.07 111.88 3hx2 h GLY 146 Ca -0.00 0.03 0.11 0.00 0.00 0.00 0.00 47.33 47.46 3hx2 h GLY 146 CO 0.05 -0.03 0.29 -0.55 0.00 0.00 0.00 176.54 176.31 3hx2 h ASP 147 N -0.37 0.33 -0.20 0.19 5.19 -1.20 0.20 116.42 120.56 3hx2 h ASP 147 Ca -0.01 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 3hx2 h ASP 147 Cb 0.33 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.87 3hx2 h ASP 147 CO 0.01 0.18 0.13 0.45 -3.12 0.00 0.00 179.24 176.89 3hx2 h HIS 148 N 0.49 0.24 -0.40 4.55 3.86 -1.33 0.10 115.15 122.66 3hx2 h HIS 148 Ca 0.35 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.55 3hx2 h HIS 148 Cb 0.44 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 3hx2 h HIS 148 CO -0.14 0.15 0.20 -0.07 0.86 0.00 0.00 177.93 178.92 3hx2 h LEU 149 N 0.26 0.49 0.22 2.43 3.38 -0.44 0.31 115.31 121.97 3hx2 h LEU 149 Ca 0.07 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3hx2 h LEU 149 Cb -0.03 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3hx2 h LEU 149 CO -0.02 0.42 -0.11 0.74 0.09 0.00 0.00 178.44 179.56 3hx2 h THR 150 N 0.56 0.83 -0.29 0.22 2.02 -0.32 -1.85 112.91 114.08 3hx2 h THR 150 Ca 0.14 -0.76 -0.03 0.00 0.77 0.00 0.00 66.41 66.53 3hx2 h THR 150 Cb 0.05 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 3hx2 h THR 150 CO -0.02 0.16 0.05 0.78 0.37 0.00 0.00 175.52 176.86 3hx2 h ASN 151 N -0.71 0.39 -0.50 4.18 2.35 -0.44 -1.68 115.58 119.16 3hx2 h ASN 151 Ca -0.03 -0.05 -0.13 0.00 -0.55 0.00 0.00 56.30 55.54 3hx2 h ASN 151 Cb 0.49 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 3hx2 h ASN 151 CO 0.05 0.41 -0.18 -0.07 -1.65 0.00 0.00 177.43 175.99 3hx2 h LEU 152 N 0.42 1.03 -1.27 1.61 3.38 -0.36 -2.32 115.31 117.80 3hx2 h LEU 152 Ca 0.10 -0.38 -0.07 0.00 0.09 0.00 0.00 57.88 57.62 3hx2 h LEU 152 Cb 0.19 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3hx2 h LEU 152 CO -0.00 1.18 -0.34 -0.74 0.09 0.00 0.00 178.44 178.63 3hx2 h HIS 153 N 0.88 0.00 -0.29 1.13 2.76 -0.92 -2.99 115.15 115.72 3hx2 h HIS 153 Ca 0.12 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.13 3hx2 h HIS 153 Cb 0.76 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.72 3hx2 h HIS 153 CO 0.05 0.34 -0.47 -0.09 -1.30 0.00 0.00 177.93 176.45 3hx2 h ARG 154 N 0.00 0.77 -0.71 5.26 2.43 -0.95 -3.17 114.38 118.00 3hx2 h ARG 154 Ca -0.00 -0.44 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 3hx2 h ARG 154 Cb 0.68 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 3hx2 h ARG 154 CO 0.04 1.07 0.00 1.28 -1.51 0.00 0.00 179.97 180.85 3hx2 n LEU 155 N -4.01 0.73 -2.66 3.80 4.77 -0.91 -3.56 117.00 115.16 3hx2 n LEU 155 Ca -0.03 -0.37 -0.25 0.00 -0.03 0.00 0.00 56.01 55.33 3hx2 n LEU 155 Cb 0.58 -0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 41.39 3hx2 n LEU 155 CO 0.48 0.16 0.14 0.61 -1.33 0.00 0.00 177.39 177.45 3hx2 n GLY 156 N 0.33 5.50 0.00 -0.72 0.00 -1.20 -4.88 105.19 104.22 3hx2 n GLY 156 Ca 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 46.02 43.38 3hx2 n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hx2 n GLY 157 N -0.35 -0.54 0.26 -0.02 0.00 -1.23 -4.99 105.19 98.30 3hx2 n GLY 157 Ca 0.34 -0.51 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 3hx2 n GLY 157 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hx2 h PRO 158 N 0.00 0.85 -0.46 1.61 0.13 -1.97 -2.94 132.00 129.23 3hx2 h PRO 158 Ca 0.00 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 3hx2 h PRO 158 Cb 0.00 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.01 3hx2 h PRO 158 CO 0.00 0.79 0.00 0.39 -0.23 0.00 0.00 178.00 178.95 3hx2 n GLU 159 N -4.44 0.82 0.29 0.86 1.02 -1.26 -4.04 120.64 113.89 3hx2 n GLU 159 Ca 0.02 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.30 3hx2 n GLU 159 Cb 0.21 -1.23 0.87 0.00 -0.02 0.00 0.00 31.44 31.27 3hx2 n GLU 159 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hx2 h ALA 160 N 2.19 1.55 0.00 0.62 0.00 -1.59 -3.43 119.26 118.61 3hx2 h ALA 160 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hx2 h ALA 160 Cb 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hx2 h ALA 160 CO 0.00 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.68