#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hub s VAL 2 N 0.00 4.89 0.36 3.15 1.01 -1.26 -0.78 120.40 127.76 2hub s VAL 2 Ca 0.00 -0.08 -0.27 0.00 0.00 0.00 0.00 61.98 61.64 2hub s VAL 2 Cb 0.00 -4.18 -0.09 0.00 0.00 0.00 0.00 36.38 32.10 2hub s VAL 2 CO 0.00 -0.59 1.20 -0.36 0.00 0.00 0.00 175.10 175.35 2hub s PHE 3 N 2.65 3.13 0.66 5.22 0.40 -0.21 -4.99 117.98 124.84 2hub s PHE 3 Ca 0.19 1.53 -0.17 0.00 -0.60 0.00 0.00 56.93 57.89 2hub s PHE 3 Cb -0.15 -3.47 0.00 0.00 0.51 0.00 0.00 43.02 39.91 2hub s PHE 3 CO 0.17 -1.38 1.20 0.20 0.70 0.00 0.00 175.22 176.11 2hub s GLY 4 N -0.90 2.53 0.09 4.36 0.00 -1.26 -4.86 107.32 107.28 2hub s GLY 4 Ca 0.53 0.93 -0.25 0.00 0.00 0.00 0.00 44.72 45.92 2hub s GLY 4 CO 0.43 1.32 1.71 -0.09 0.00 0.00 0.00 173.10 176.48 2hub h ARG 5 N 0.29 -0.19 0.00 2.90 2.43 -1.96 0.20 114.38 118.05 2hub h ARG 5 Ca -0.49 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 58.60 2hub h ARG 5 Cb 1.29 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.87 2hub h ARG 5 CO 0.53 -0.13 -0.45 0.00 -1.51 0.00 0.00 179.97 178.41 2hub h GLU 7 N 0.00 0.42 -0.39 0.00 4.81 -1.86 -0.85 114.58 116.71 2hub h GLU 7 Ca -0.00 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 2hub h GLU 7 Cb 0.86 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 2hub h GLU 7 CO 0.06 0.36 -0.13 1.25 -0.73 0.00 0.00 179.01 179.82 2hub h LEU 8 N 0.38 0.80 -0.64 1.64 5.85 -0.69 -1.41 115.31 121.24 2hub h LEU 8 Ca 0.11 -0.38 0.09 0.00 0.84 0.00 0.00 57.88 58.54 2hub h LEU 8 Cb 0.06 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 40.80 2hub h LEU 8 CO -0.02 1.00 0.28 0.00 -0.34 0.00 0.00 178.44 179.36 2hub h ALA 9 N 0.83 0.86 -0.54 1.25 0.00 -1.03 0.87 119.26 121.51 2hub h ALA 9 Ca 0.10 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2hub h ALA 9 Cb 0.67 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2hub h ALA 9 CO 0.05 -0.13 0.23 0.00 0.00 0.00 0.00 179.25 179.40 2hub h ALA 10 N 1.41 0.69 -0.44 0.00 0.00 -0.86 -0.91 119.26 119.16 2hub h ALA 10 Ca 0.32 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2hub h ALA 10 Cb 0.36 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2hub h ALA 10 CO -0.28 0.29 0.20 0.00 0.00 0.00 0.00 179.25 179.46 2hub h ALA 11 N 1.07 0.57 -0.71 0.00 0.00 -0.69 -0.82 119.26 118.68 2hub h ALA 11 Ca 0.18 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2hub h ALA 11 Cb 0.17 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2hub h ALA 11 CO -0.02 0.15 0.18 0.52 0.00 0.00 0.00 179.25 180.08 2hub h MET 12 N 0.57 1.14 -0.53 0.00 2.86 -0.72 -2.62 114.93 115.64 2hub h MET 12 Ca 0.15 -0.27 -0.03 0.00 -2.06 0.00 0.00 59.70 57.49 2hub h MET 12 Cb 0.14 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 2hub h MET 12 CO -0.02 1.00 0.20 -0.22 1.06 0.00 0.00 176.91 178.94 2hub h LYS 13 N 1.08 0.80 -0.83 1.72 3.64 -1.00 -1.77 116.57 120.20 2hub h LYS 13 Ca 0.22 -0.15 0.11 0.00 -1.27 0.00 0.00 60.65 59.57 2hub h LYS 13 Cb 0.37 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.00 2hub h LYS 13 CO 0.00 0.71 0.54 -0.09 -2.27 0.00 0.00 179.45 178.34 2hub h ARG 14 N 0.72 0.70 -0.18 1.90 1.12 -0.90 0.56 114.38 118.29 2hub h ARG 14 Ca 0.18 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 59.00 2hub h ARG 14 Cb 0.21 -0.16 0.00 0.00 -0.01 0.00 0.00 29.97 30.02 2hub h ARG 14 CO -0.01 0.46 0.00 0.72 -3.11 0.00 0.00 179.97 178.03 2hub n HIS 15 N -4.52 0.24 -1.47 2.20 8.25 -1.01 -4.92 115.22 113.99 2hub n HIS 15 Ca 0.15 -0.12 -0.02 0.00 -0.26 0.00 0.00 57.72 57.47 2hub n HIS 15 Cb 0.37 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.48 2hub n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2hub n GLY 16 N 0.93 0.42 0.15 -1.41 0.00 0.19 -4.96 105.19 100.51 2hub n GLY 16 Ca 0.11 -0.93 0.02 0.00 0.00 0.00 0.00 46.02 45.22 2hub n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2hub h LEU 17 N 0.00 0.00 -9.07 0.99 3.38 -1.50 -3.38 115.31 105.73 2hub h LEU 17 Ca -0.03 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.34 2hub h LEU 17 Cb 0.50 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.25 2hub h LEU 17 CO 0.05 0.52 1.33 -0.90 0.09 0.00 0.00 178.44 179.52 2hub n ASP 18 N -3.37 3.32 -0.24 -0.43 5.75 -1.26 -1.33 116.55 118.99 2hub n ASP 18 Ca 0.01 0.58 -0.03 0.00 -0.01 0.00 0.00 54.79 55.34 2hub n ASP 18 Cb 0.67 -1.46 -0.01 0.00 -1.03 0.00 0.00 41.12 39.29 2hub n ASP 18 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2hub n ASN 19 N 9.24 -4.07 -4.69 -1.12 3.02 0.10 -4.88 115.26 112.86 2hub n ASN 19 Ca 0.28 0.08 -0.42 0.00 -0.03 0.00 0.00 54.58 54.49 2hub n ASN 19 Cb 0.37 -1.85 -0.03 0.00 -0.61 0.00 0.00 39.78 37.66 2hub n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2hub s TYR 20 N -1.89 2.49 -1.29 3.10 5.04 -0.44 -1.10 117.35 123.26 2hub s TYR 20 Ca 0.00 0.36 0.00 0.00 -2.44 0.00 0.00 57.07 54.99 2hub s TYR 20 Cb 0.00 -3.96 0.00 0.00 0.35 0.00 0.00 41.96 38.35 2hub s TYR 20 CO 0.00 -3.80 0.00 0.54 -1.34 0.00 0.00 175.55 170.95 2hub n ARG 21 N 5.44 -1.71 -0.71 4.97 5.12 -1.26 -1.99 116.66 126.52 2hub n ARG 21 Ca 0.16 0.72 0.00 0.00 -1.93 0.00 0.00 57.85 56.80 2hub n ARG 21 Cb 0.40 -5.15 0.00 0.00 -1.16 0.00 0.00 32.46 26.56 2hub n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hub n GLY 22 N -0.53 0.78 3.52 -0.13 0.00 -0.25 -5.02 105.19 103.55 2hub n GLY 22 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 2hub n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2hub s TYR 23 N -2.89 3.15 0.83 1.61 2.02 -0.84 -4.85 117.35 116.38 2hub s TYR 23 Ca 0.00 -0.10 -0.11 0.00 -0.37 0.00 0.00 57.07 56.49 2hub s TYR 23 Cb 0.00 -3.00 0.10 0.00 -0.40 0.00 0.00 41.96 38.65 2hub s TYR 23 CO 0.00 -0.67 1.14 -1.54 -1.57 0.00 0.00 175.55 172.91 2hub s SER 24 N 1.84 3.67 0.31 2.29 1.04 -1.26 -0.72 113.70 120.86 2hub s SER 24 Ca 0.17 2.12 0.05 0.00 0.48 0.00 0.00 55.95 58.77 2hub s SER 24 Cb -0.16 -2.56 0.67 0.00 0.10 0.00 0.00 66.02 64.07 2hub s SER 24 CO 0.15 -2.60 1.83 0.25 0.98 0.00 0.00 173.24 173.85 2hub h LEU 25 N -1.28 0.82 -1.83 2.42 5.85 -1.90 -0.39 115.31 118.99 2hub h LEU 25 Ca -0.44 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.40 2hub h LEU 25 Cb 1.26 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 2hub h LEU 25 CO 0.46 0.40 0.26 1.23 -0.34 0.00 0.00 178.44 180.46 2hub h GLY 26 N 0.86 0.26 1.00 3.75 0.00 -1.91 -1.37 103.07 105.66 2hub h GLY 26 Ca 0.50 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.75 2hub h GLY 26 CO -0.27 0.06 0.40 3.43 0.00 0.00 0.00 176.54 180.16 2hub h ASN 27 N 0.20 0.73 -0.22 0.19 2.35 -1.29 0.38 115.58 117.92 2hub h ASN 27 Ca 0.17 -0.04 -0.17 0.00 -0.55 0.00 0.00 56.30 55.72 2hub h ASN 27 Cb 0.43 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.61 2hub h ASN 27 CO -0.03 0.55 -0.49 -0.50 -1.65 0.00 0.00 177.43 175.31 2hub h TRP 28 N 0.85 0.97 -0.28 1.19 4.06 -1.31 -0.91 115.95 120.53 2hub h TRP 28 Ca 0.23 -0.32 -0.06 0.00 2.06 0.00 0.00 58.89 60.79 2hub h TRP 28 Cb -0.07 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 27.89 2hub h TRP 28 CO -0.03 1.12 -0.07 0.28 -3.56 0.00 0.00 178.44 176.18 2hub h VAL 29 N 0.62 1.28 -0.46 1.49 2.07 -1.23 -1.51 116.25 118.51 2hub h VAL 29 Ca 0.03 -1.10 0.04 0.00 0.82 0.00 0.00 66.70 66.48 2hub h VAL 29 Cb 1.07 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 32.23 2hub h VAL 29 CO 0.11 0.35 0.23 0.00 0.02 0.00 0.00 177.57 178.28 2hub h ALA 31 N 1.24 0.14 -0.58 0.00 0.00 -1.04 -2.19 119.26 116.85 2hub h ALA 31 Ca 0.20 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 2hub h ALA 31 Cb 0.10 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2hub h ALA 31 CO -0.14 -0.44 0.21 0.00 0.00 0.00 0.00 179.25 178.88 2hub h ALA 32 N 1.15 1.30 -0.21 0.00 0.00 -0.89 0.14 119.26 120.75 2hub h ALA 32 Ca 0.08 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.86 2hub h ALA 32 Cb 0.10 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2hub h ALA 32 CO -0.14 0.52 0.02 -0.22 0.00 0.00 0.00 179.25 179.42 2hub h LYS 33 N 0.83 0.08 0.00 0.00 1.63 -0.53 -0.50 116.57 118.08 2hub h LYS 33 Ca 0.19 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 2hub h LYS 33 Cb 0.19 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.80 2hub h LYS 33 CO -0.02 0.06 -0.68 1.19 -3.45 0.00 0.00 179.45 176.55 2hub n PHE 34 N -5.12 0.35 -0.02 1.91 3.72 -0.87 -0.86 117.46 116.57 2hub n PHE 34 Ca -0.02 0.10 -0.20 0.00 -0.05 0.00 0.00 57.45 57.28 2hub n PHE 34 Cb 0.11 -0.51 -0.13 0.00 -0.94 0.00 0.00 39.48 38.00 2hub n PHE 34 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2hub h GLU 35 N 0.00 0.17 0.00 -1.08 4.39 -0.66 -3.44 114.58 113.96 2hub h GLU 35 Ca 0.00 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.41 2hub h GLU 35 Cb 0.68 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 2hub h GLU 35 CO 0.00 1.14 0.00 -1.13 -1.16 0.00 0.00 179.01 177.86 2hub n SER 36 N -4.15 0.37 -3.90 1.42 3.41 -0.24 -4.85 113.62 105.69 2hub n SER 36 Ca -0.23 -0.85 -0.30 0.00 -0.26 0.00 0.00 58.87 57.23 2hub n SER 36 Cb 0.78 0.09 0.02 0.00 -0.26 0.00 0.00 64.21 64.84 2hub n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2hub n ASN 37 N -0.09 -4.65 -1.16 4.04 5.15 -0.04 -1.93 115.26 116.57 2hub n ASN 37 Ca 0.00 -0.77 -0.15 0.00 -0.60 0.00 0.00 54.58 53.06 2hub n ASN 37 Cb 0.11 -3.73 -0.06 0.00 -0.53 0.00 0.00 39.78 35.57 2hub n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2hub n PHE 38 N -4.61 -0.00 -3.67 1.20 3.72 -1.19 -4.85 117.46 108.07 2hub n PHE 38 Ca 0.04 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.06 2hub n PHE 38 Cb 0.52 -2.65 -0.12 0.00 -0.94 0.00 0.00 39.48 36.29 2hub n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2hub s ASN 39 N -2.84 5.50 0.61 4.37 2.47 -0.82 -1.04 114.94 123.20 2hub s ASN 39 Ca 0.00 -0.70 0.39 0.00 0.42 0.00 0.00 52.86 52.96 2hub s ASN 39 Cb 0.00 -1.98 1.99 0.00 -1.45 0.00 0.00 41.25 39.81 2hub s ASN 39 CO 0.00 -0.25 2.22 0.71 -3.72 0.00 0.00 177.10 176.07 2hub h THR 40 N 5.78 0.10 -0.01 -5.21 1.35 -1.27 -2.51 112.91 111.15 2hub h THR 40 Ca -0.30 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 2hub h THR 40 Cb 1.13 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 2hub h THR 40 CO 0.63 0.02 -0.14 0.00 -0.25 0.00 0.00 175.52 175.77 2hub n GLN 41 N -3.20 1.09 -1.93 4.72 6.02 -1.26 -4.06 117.38 118.76 2hub n GLN 41 Ca -0.02 -0.59 -0.42 0.00 -0.01 0.00 0.00 57.00 55.96 2hub n GLN 41 Cb 0.16 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.90 2hub n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2hub s ALA 42 N -2.32 3.73 0.01 -1.58 0.00 -0.94 -4.79 121.76 115.87 2hub s ALA 42 Ca 0.30 1.40 0.02 0.00 0.00 0.00 0.00 51.96 53.68 2hub s ALA 42 Cb 0.20 -3.61 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 2hub s ALA 42 CO 0.45 -0.80 -0.07 0.95 0.00 0.00 0.00 175.76 176.29 2hub s THR 43 N 0.61 0.52 -0.10 0.00 -4.23 -1.26 -0.14 115.64 111.03 2hub s THR 43 Ca 0.66 -0.53 -0.04 0.00 -1.18 0.00 0.00 61.69 60.60 2hub s THR 43 Cb -0.44 -0.49 0.05 0.00 1.34 0.00 0.00 72.50 72.97 2hub s THR 43 CO 0.37 -0.02 0.16 0.20 -0.54 0.00 0.00 174.62 174.79 2hub s ASN 44 N -0.61 0.96 0.22 3.99 0.01 -0.44 -4.98 114.94 114.09 2hub s ASN 44 Ca -0.01 0.19 -0.30 0.00 -0.71 0.00 0.00 52.86 52.02 2hub s ASN 44 Cb -0.05 0.24 -0.09 0.00 0.41 0.00 0.00 41.25 41.76 2hub s ASN 44 CO 0.00 -0.26 1.17 -0.60 -1.51 0.00 0.00 177.10 175.90 2hub s ARG 45 N 2.28 4.53 0.23 -0.60 6.06 -1.26 -0.63 118.95 129.55 2hub s ARG 45 Ca 0.04 1.87 -0.01 0.00 -2.50 0.00 0.00 55.73 55.13 2hub s ARG 45 Cb -0.13 -3.22 -0.04 0.00 0.06 0.00 0.00 34.95 31.62 2hub s ARG 45 CO -0.07 -0.01 0.42 -0.80 -2.50 0.00 0.00 175.30 172.35 2hub s ASN 46 N -0.18 6.38 0.45 -2.12 0.02 0.54 -4.95 114.94 115.09 2hub s ASN 46 Ca 0.50 0.43 0.18 0.00 -1.02 0.00 0.00 52.86 52.96 2hub s ASN 46 Cb -0.33 -2.02 1.14 0.00 0.02 0.00 0.00 41.25 40.06 2hub s ASN 46 CO 0.39 -0.08 1.92 0.74 0.02 0.00 0.00 177.10 180.08 2hub h THR 47 N 1.44 0.75 0.00 1.60 2.02 -1.96 -1.29 112.91 115.48 2hub h THR 47 Ca -0.48 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 66.59 2hub h THR 47 Cb 1.19 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 2hub h THR 47 CO 0.67 0.06 0.00 -0.90 0.37 0.00 0.00 175.52 175.72 2hub n ASP 48 N -4.45 0.00 0.00 4.18 5.68 -1.26 -4.87 116.55 115.83 2hub n ASP 48 Ca 0.15 -0.22 0.00 0.00 -0.50 0.00 0.00 54.79 54.22 2hub n ASP 48 Cb 0.59 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 2hub n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2hub n GLY 49 N 0.57 2.14 3.79 6.12 0.00 -0.49 -4.98 105.19 112.34 2hub n GLY 49 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 2hub n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hub s SER 50 N -1.44 2.85 0.03 1.61 1.04 -1.26 -4.73 113.70 111.79 2hub s SER 50 Ca 0.00 0.67 0.03 0.00 0.48 0.00 0.00 55.95 57.13 2hub s SER 50 Cb 0.00 -1.01 -0.02 0.00 0.10 0.00 0.00 66.02 65.09 2hub s SER 50 CO 0.00 -2.94 -0.09 -0.89 0.98 0.00 0.00 173.24 170.31 2hub s THR 51 N -3.41 0.64 -0.12 2.02 2.01 -1.26 -0.34 115.64 115.18 2hub s THR 51 Ca 0.68 -0.91 -0.06 0.00 0.31 0.00 0.00 61.69 61.72 2hub s THR 51 Cb -0.10 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 2hub s THR 51 CO 0.54 -0.21 0.12 -1.81 -0.69 0.00 0.00 174.62 172.56 2hub s ASP 52 N -1.22 6.18 -0.06 3.53 1.01 0.20 -1.41 116.67 124.90 2hub s ASP 52 Ca -0.05 0.41 0.02 0.00 0.71 0.00 0.00 52.55 53.63 2hub s ASP 52 Cb -0.08 -1.97 0.02 0.00 1.01 0.00 0.00 42.92 41.90 2hub s ASP 52 CO 0.01 0.40 -0.10 -0.31 0.21 0.00 0.00 175.17 175.38 2hub s TYR 53 N -0.98 1.29 0.00 4.23 1.51 -0.25 -1.33 117.35 121.83 2hub s TYR 53 Ca 0.15 -0.47 0.00 0.00 -1.01 0.00 0.00 57.07 55.73 2hub s TYR 53 Cb -0.12 -0.98 0.00 0.00 -0.11 0.00 0.00 41.96 40.75 2hub s TYR 53 CO 0.04 -0.27 0.00 0.41 -1.11 0.00 0.00 175.55 174.61 2hub n GLY 54 N 3.95 -1.91 0.41 0.71 0.00 0.80 -1.40 105.19 107.76 2hub n GLY 54 Ca -0.23 -1.51 0.21 0.00 0.00 0.00 0.00 46.02 44.50 2hub n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2hub h ILE 55 N 0.00 0.62 -0.04 -0.61 6.09 -1.71 -1.43 117.51 120.43 2hub h ILE 55 Ca 0.00 -0.13 0.00 0.00 -1.37 0.00 0.00 64.86 63.36 2hub h ILE 55 Cb 0.00 0.22 0.00 0.00 0.47 0.00 0.00 36.82 37.51 2hub h ILE 55 CO 0.00 0.07 0.00 0.18 -3.07 0.00 0.00 178.15 175.33 2hub n LEU 56 N -4.52 2.50 -3.73 2.19 4.77 -1.26 -4.16 117.00 112.79 2hub n LEU 56 Ca 0.21 -2.92 -0.29 0.00 -0.03 0.00 0.00 56.01 52.99 2hub n LEU 56 Cb 0.78 -0.38 0.03 0.00 -2.33 0.00 0.00 43.42 41.52 2hub n LEU 56 CO 0.30 0.68 -0.10 0.00 -1.33 0.00 0.00 177.39 176.94 2hub n GLN 57 N -1.17 -2.13 -2.78 3.23 1.13 -0.54 -4.90 117.38 110.23 2hub n GLN 57 Ca 0.14 0.48 -0.41 0.00 -1.94 0.00 0.00 57.00 55.27 2hub n GLN 57 Cb 0.61 -4.38 -0.04 0.00 0.11 0.00 0.00 30.24 26.54 2hub n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2hub s ILE 58 N -3.59 4.68 0.13 5.09 1.01 -0.49 -4.36 121.20 123.66 2hub s ILE 58 Ca 0.32 1.96 -0.03 0.00 0.00 0.00 0.00 60.65 62.90 2hub s ILE 58 Cb -0.11 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 38.04 2hub s ILE 58 CO 0.86 0.27 0.34 0.54 0.00 0.00 0.00 174.94 176.95 2hub s ASN 59 N 0.35 6.45 0.00 3.58 2.20 -1.26 -1.08 114.94 125.17 2hub s ASN 59 Ca 0.47 0.50 0.30 0.00 -0.94 0.00 0.00 52.86 53.18 2hub s ASN 59 Cb -0.22 -2.05 1.44 0.00 -2.00 0.00 0.00 41.25 38.42 2hub s ASN 59 CO 0.27 0.07 1.98 -1.54 -2.94 0.00 0.00 177.10 174.95 2hub n SER 60 N 0.07 0.39 0.09 3.54 3.41 -0.50 -1.41 113.62 119.20 2hub n SER 60 Ca -0.03 -0.73 -0.23 0.00 -0.26 0.00 0.00 58.87 57.61 2hub n SER 60 Cb 0.52 -0.08 -0.15 0.00 -0.26 0.00 0.00 64.21 64.24 2hub n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2hub h ARG 61 N 0.53 0.42 0.00 4.33 2.43 -1.85 -3.42 114.38 116.83 2hub h ARG 61 Ca 0.00 -0.73 -0.34 0.00 -0.81 0.00 0.00 59.98 58.10 2hub h ARG 61 Cb 0.26 0.27 -0.06 0.00 -0.42 0.00 0.00 29.97 30.02 2hub h ARG 61 CO 0.00 1.35 -2.30 0.91 -1.51 0.00 0.00 179.97 178.41 2hub n TRP 62 N -3.61 0.00 -0.07 2.20 7.02 -1.24 -1.05 117.44 120.69 2hub n TRP 62 Ca -0.23 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.16 2hub n TRP 62 Cb 1.08 -0.88 -0.07 0.00 -2.42 0.00 0.00 31.31 29.02 2hub n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 2hub n TRP 63 N -3.16 0.00 -4.19 -5.99 7.02 -0.50 -0.44 117.44 110.17 2hub n TRP 63 Ca -0.40 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 55.96 2hub n TRP 63 Cb 0.93 -0.56 -0.10 0.00 -2.42 0.00 0.00 31.31 29.17 2hub n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2hub s ASN 65 N -3.08 6.11 0.00 0.00 2.47 -0.24 -4.32 114.94 115.88 2hub s ASN 65 Ca 0.14 0.11 0.08 0.00 0.42 0.00 0.00 52.86 53.60 2hub s ASN 65 Cb 0.05 -2.14 0.15 0.00 -1.45 0.00 0.00 41.25 37.86 2hub s ASN 65 CO -0.03 -0.05 0.99 -0.90 -3.72 0.00 0.00 177.10 173.39 2hub n ASP 66 N 4.91 2.22 0.00 -4.21 5.68 -1.26 -1.02 116.55 122.87 2hub n ASP 66 Ca -0.13 -1.71 0.00 0.00 -0.50 0.00 0.00 54.79 52.45 2hub n ASP 66 Cb 0.52 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 2hub n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2hub n GLY 67 N 0.31 0.74 0.17 6.12 0.00 -1.26 -4.80 105.19 106.46 2hub n GLY 67 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2hub n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2hub n ARG 68 N -2.10 0.00 -3.82 1.61 1.85 -1.26 -5.06 116.66 107.88 2hub n ARG 68 Ca 0.00 -0.52 -0.37 0.00 -1.00 0.00 0.00 57.85 55.96 2hub n ARG 68 Cb 0.02 -0.39 -0.13 0.00 -1.05 0.00 0.00 32.46 30.91 2hub n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2hub s THR 69 N 0.00 3.57 0.33 8.89 2.01 -1.26 -4.94 115.64 124.24 2hub s THR 69 Ca 0.00 -0.97 -0.29 0.00 0.31 0.00 0.00 61.69 60.75 2hub s THR 69 Cb 0.00 -2.91 -0.11 0.00 0.01 0.00 0.00 72.50 69.49 2hub s THR 69 CO 0.00 0.01 1.45 -2.84 -0.69 0.00 0.00 174.62 172.55 2hub s PRO 70 N 1.41 4.20 0.00 4.92 0.02 -1.26 -2.56 135.00 141.72 2hub s PRO 70 Ca -0.00 2.44 0.00 0.00 0.02 0.00 0.00 61.00 63.46 2hub s PRO 70 Cb -0.18 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.31 2hub s PRO 70 CO 0.01 -0.45 0.00 0.41 -0.33 0.00 0.00 177.00 176.64 2hub n GLY 71 N 1.15 0.69 3.66 0.52 0.00 -1.26 -4.96 105.19 104.98 2hub n GLY 71 Ca 0.03 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.56 2hub n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2hub n SER 72 N 0.00 2.81 -0.04 1.61 2.88 -1.06 -4.87 113.62 114.95 2hub n SER 72 Ca 0.00 1.07 0.04 0.00 -1.33 0.00 0.00 58.87 58.64 2hub n SER 72 Cb 0.00 -1.34 -0.16 0.00 -0.75 0.00 0.00 64.21 61.96 2hub n SER 72 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2hub n ARG 73 N 4.03 0.71 -3.83 -1.46 5.12 -0.21 -5.01 116.66 116.00 2hub n ARG 73 Ca 0.19 -0.13 -0.26 0.00 -1.93 0.00 0.00 57.85 55.73 2hub n ARG 73 Cb 0.26 -1.49 0.01 0.00 -1.16 0.00 0.00 32.46 30.07 2hub n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2hub n ASN 74 N -2.39 -1.60 0.23 0.55 5.15 -1.07 -4.85 115.26 111.29 2hub n ASN 74 Ca -0.13 -0.96 0.11 0.00 -0.60 0.00 0.00 54.58 53.00 2hub n ASN 74 Cb 0.74 -3.39 0.54 0.00 -0.53 0.00 0.00 39.78 37.15 2hub n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2hub h LEU 75 N -1.85 0.00 -0.18 1.20 3.38 -0.66 -0.65 115.31 116.54 2hub h LEU 75 Ca -0.63 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.34 2hub h LEU 75 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 2hub h LEU 75 CO 0.58 0.19 -0.16 0.00 0.09 0.00 0.00 178.44 179.14 2hub n ASN 77 N -1.09 -2.86 -3.76 0.00 3.02 -0.25 -5.00 115.26 105.32 2hub n ASN 77 Ca 0.12 -0.81 -0.13 0.00 -0.03 0.00 0.00 54.58 53.73 2hub n ASN 77 Cb 0.30 -4.28 -0.10 0.00 -0.61 0.00 0.00 39.78 35.09 2hub n ASN 77 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2hub s ILE 78 N -3.55 0.03 0.36 2.41 1.10 -1.26 -5.07 121.20 115.22 2hub s ILE 78 Ca 0.16 -0.21 -0.27 0.00 -0.51 0.00 0.00 60.65 59.81 2hub s ILE 78 Cb -0.04 -0.54 -0.09 0.00 0.15 0.00 0.00 42.46 41.94 2hub s ILE 78 CO 0.80 -0.12 1.26 -2.84 -2.11 0.00 0.00 174.94 171.93 2hub s PRO 79 N -0.50 4.23 0.46 3.50 0.02 -1.26 -1.07 135.00 140.37 2hub s PRO 79 Ca -0.06 2.09 0.12 0.00 0.02 0.00 0.00 61.00 63.17 2hub s PRO 79 Cb -0.04 -2.93 1.05 0.00 0.02 0.00 0.00 34.50 32.61 2hub s PRO 79 CO 0.02 -0.25 2.07 0.00 -0.33 0.00 0.00 177.00 178.51 2hub h SER 81 N 0.19 0.00 0.37 0.00 4.64 -1.91 -1.06 113.55 115.78 2hub h SER 81 Ca 0.05 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 2hub h SER 81 Cb 0.08 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2hub h SER 81 CO -0.00 0.05 -0.06 0.00 -0.87 0.00 0.00 176.83 175.95 2hub h ALA 82 N 1.95 1.17 -0.00 5.18 0.00 -1.61 -2.13 119.26 123.81 2hub h ALA 82 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2hub h ALA 82 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2hub h ALA 82 CO 0.01 0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.61 2hub n LEU 83 N -3.40 0.44 -0.44 0.00 4.77 -0.40 -3.44 117.00 114.53 2hub n LEU 83 Ca -0.02 -0.15 0.11 0.00 -0.03 0.00 0.00 56.01 55.93 2hub n LEU 83 Cb 0.20 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2hub n LEU 83 CO 0.27 0.07 0.29 0.18 -1.33 0.00 0.00 177.39 176.87 2hub n LEU 84 N -0.65 1.90 -4.73 2.23 4.77 -0.80 -4.08 117.00 115.63 2hub n LEU 84 Ca 0.23 -0.71 -0.36 0.00 -0.03 0.00 0.00 56.01 55.13 2hub n LEU 84 Cb 0.18 -0.01 0.07 0.00 -2.33 0.00 0.00 43.42 41.34 2hub n LEU 84 CO 0.18 0.36 0.88 -0.55 -1.33 0.00 0.00 177.39 176.93 2hub s SER 85 N -2.53 4.54 0.62 -1.43 0.15 -1.22 -4.17 113.70 109.66 2hub s SER 85 Ca 0.18 2.57 0.37 0.00 0.70 0.00 0.00 55.95 59.77 2hub s SER 85 Cb 0.18 -2.61 2.09 0.00 -1.71 0.00 0.00 66.02 63.96 2hub s SER 85 CO 0.60 -2.04 2.29 0.77 1.20 0.00 0.00 173.24 176.05 2hub h SER 86 N 0.40 0.00 -3.52 5.45 4.64 -1.93 -3.39 113.55 115.20 2hub h SER 86 Ca -0.50 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.22 2hub h SER 86 Cb 1.33 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.32 2hub h SER 86 CO 0.52 0.01 0.51 -0.62 -0.87 0.00 0.00 176.83 176.39 2hub s ASP 87 N -5.62 6.61 0.00 4.97 2.15 -1.26 -4.95 116.67 118.57 2hub s ASP 87 Ca -0.04 0.44 0.19 0.00 0.43 0.00 0.00 52.55 53.57 2hub s ASP 87 Cb 0.14 -2.44 0.97 0.00 -0.30 0.00 0.00 42.92 41.29 2hub s ASP 87 CO 0.48 -0.83 1.65 2.30 -0.17 0.00 0.00 175.17 178.60 2hub n ILE 88 N 5.94 0.06 -0.11 4.11 -5.35 -1.26 -4.36 119.36 118.40 2hub n ILE 88 Ca 0.05 -0.10 -0.05 0.00 -0.27 0.00 0.00 62.75 62.38 2hub n ILE 88 Cb 0.48 -0.09 0.01 0.00 -1.74 0.00 0.00 39.64 38.30 2hub n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 2hub h THR 89 N 0.66 0.59 -0.68 7.28 2.02 -1.94 0.39 112.91 121.24 2hub h THR 89 Ca 0.00 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.10 2hub h THR 89 Cb 0.14 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 2hub h THR 89 CO 0.00 0.00 0.12 0.00 0.37 0.00 0.00 175.52 176.01 2hub h ALA 90 N 1.32 0.93 -0.60 6.16 0.00 -1.86 -0.26 119.26 124.94 2hub h ALA 90 Ca 0.18 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2hub h ALA 90 Cb 0.30 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2hub h ALA 90 CO -0.39 0.67 0.26 0.77 0.00 0.00 0.00 179.25 180.56 2hub h SER 91 N 1.04 0.81 -0.38 0.00 0.02 -1.65 -1.63 113.55 111.77 2hub h SER 91 Ca 0.21 -0.15 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 2hub h SER 91 Cb 0.43 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 2hub h SER 91 CO 0.01 0.74 0.04 0.58 -1.14 0.00 0.00 176.83 177.06 2hub h VAL 92 N 0.83 1.25 -0.88 2.27 2.07 -0.45 0.14 116.25 121.48 2hub h VAL 92 Ca 0.20 -0.90 0.01 0.00 0.82 0.00 0.00 66.70 66.83 2hub h VAL 92 Cb 0.17 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 2hub h VAL 92 CO -0.02 0.30 0.57 0.78 0.02 0.00 0.00 177.57 179.23 2hub h ASN 93 N 0.47 1.03 -0.23 0.57 -0.26 -0.93 -0.61 115.58 115.62 2hub h ASN 93 Ca 0.11 -0.04 -0.17 0.00 -0.56 0.00 0.00 56.30 55.65 2hub h ASN 93 Cb 0.40 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.40 2hub h ASN 93 CO 0.01 0.76 -0.50 0.00 -1.06 0.00 0.00 177.43 176.64 2hub h ALA 95 N 0.62 1.68 -0.93 0.00 0.00 -0.26 -0.25 119.26 120.12 2hub h ALA 95 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2hub h ALA 95 Cb 1.11 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 2hub h ALA 95 CO 0.11 0.14 0.60 0.87 0.00 0.00 0.00 179.25 180.97 2hub h LYS 96 N 0.83 1.24 -0.18 0.00 1.57 -1.04 0.10 116.57 119.08 2hub h LYS 96 Ca 0.39 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 59.06 2hub h LYS 96 Cb 0.42 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2hub h LYS 96 CO -0.16 0.84 0.00 -0.22 -0.57 0.00 0.00 179.45 179.33 2hub h LYS 97 N 1.27 0.32 -0.20 3.15 3.64 -1.22 -2.78 116.57 120.74 2hub h LYS 97 Ca 0.34 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.65 2hub h LYS 97 Cb -0.11 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.64 2hub h LYS 97 CO -0.07 0.53 -0.00 0.82 -2.27 0.00 0.00 179.45 178.46 2hub h ILE 98 N 0.08 0.86 0.00 2.00 2.04 -0.71 -2.33 117.51 119.45 2hub h ILE 98 Ca 0.05 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.89 2hub h ILE 98 Cb 0.38 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 2hub h ILE 98 CO 0.01 0.01 0.00 1.62 0.00 0.00 0.00 178.15 179.79 2hub h VAL 99 N 0.06 0.00 0.00 1.67 3.04 -1.02 -1.91 116.25 118.10 2hub h VAL 99 Ca 0.09 -0.40 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 2hub h VAL 99 Cb 0.12 1.30 0.00 0.00 -2.01 0.00 0.00 31.29 30.70 2hub h VAL 99 CO -0.16 0.00 0.00 -1.20 -1.01 0.00 0.00 177.57 175.20 2hub n SER 100 N -2.80 0.00 -3.97 3.17 7.64 -0.88 -3.91 113.62 112.87 2hub n SER 100 Ca 0.01 0.49 -0.30 0.00 1.01 0.00 0.00 58.87 60.08 2hub n SER 100 Cb 0.27 -0.50 0.21 0.00 -1.01 0.00 0.00 64.21 63.18 2hub n SER 100 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2hub s ASP 101 N -3.00 2.16 0.37 6.43 2.15 -0.72 -4.94 116.67 119.13 2hub s ASP 101 Ca 0.14 0.40 0.05 0.00 0.43 0.00 0.00 52.55 53.57 2hub s ASP 101 Cb 0.19 -0.50 0.75 0.00 -0.30 0.00 0.00 42.92 43.06 2hub s ASP 101 CO 0.52 -3.34 2.00 1.23 -0.17 0.00 0.00 175.17 175.42 2hub h GLY 102 N -2.05 0.81 -0.40 2.66 0.00 -1.89 -2.63 103.07 99.58 2hub h GLY 102 Ca -0.44 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 46.60 2hub h GLY 102 CO 0.35 0.25 0.00 0.70 0.00 0.00 0.00 176.54 177.84 2hub n ASN 103 N -4.46 1.37 0.00 0.19 5.03 -1.26 -5.03 115.26 111.09 2hub n ASN 103 Ca 0.07 -1.51 0.00 0.00 0.87 0.00 0.00 54.58 54.01 2hub n ASN 103 Cb 0.13 -0.03 0.00 0.00 -1.02 0.00 0.00 39.78 38.86 2hub n ASN 103 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2hub n GLY 104 N 1.14 2.67 0.00 7.41 0.00 -0.99 -1.26 105.19 114.15 2hub n GLY 104 Ca 0.19 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 46.09 2hub n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2hub n MET 105 N 14.00 0.14 0.20 1.61 2.81 -1.26 -2.81 117.12 131.80 2hub n MET 105 Ca 0.00 0.11 0.14 0.00 -1.81 0.00 0.00 57.70 56.14 2hub n MET 105 Cb 0.00 -1.50 0.71 0.00 -0.71 0.00 0.00 33.22 31.72 2hub n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 2hub h ASN 106 N 0.00 0.00 0.09 7.83 2.35 -1.60 -1.10 115.58 123.15 2hub h ASN 106 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 2hub h ASN 106 Cb 0.30 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.67 2hub h ASN 106 CO 0.00 0.00 -0.05 0.00 -1.65 0.00 0.00 177.43 175.73 2hub h ALA 107 N 2.06 1.62 -2.06 -0.83 0.00 -1.64 -3.37 119.26 115.02 2hub h ALA 107 Ca 0.00 -0.04 -0.65 0.00 0.00 0.00 0.00 54.91 54.22 2hub h ALA 107 Cb 0.12 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 17.75 2hub h ALA 107 CO 0.00 0.06 0.21 -1.58 0.00 0.00 0.00 179.25 177.94 2hub s TRP 108 N -4.66 3.00 0.30 0.00 0.51 -0.42 -4.94 118.94 112.73 2hub s TRP 108 Ca -0.04 -0.19 -0.01 0.00 -2.12 0.00 0.00 56.10 53.73 2hub s TRP 108 Cb 0.15 -3.59 0.47 0.00 -0.81 0.00 0.00 33.47 29.69 2hub s TRP 108 CO 0.60 -1.04 1.97 0.28 -0.51 0.00 0.00 176.95 178.25 2hub h VAL 109 N 5.91 1.19 -0.48 4.03 2.07 -1.84 -1.00 116.25 126.13 2hub h VAL 109 Ca -0.26 -0.37 -0.12 0.00 0.82 0.00 0.00 66.70 66.76 2hub h VAL 109 Cb 1.09 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 2hub h VAL 109 CO 0.96 0.20 -0.18 0.00 0.02 0.00 0.00 177.57 178.57 2hub h ALA 110 N 1.50 0.67 -0.06 1.67 0.00 -1.92 -0.83 119.26 120.29 2hub h ALA 110 Ca 0.31 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.86 2hub h ALA 110 Cb -0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2hub h ALA 110 CO -0.07 0.63 -0.04 2.35 0.00 0.00 0.00 179.25 182.12 2hub h TRP 111 N 0.82 -0.09 -0.64 0.00 7.01 -1.67 -0.10 115.95 121.28 2hub h TRP 111 Ca 0.11 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.15 2hub h TRP 111 Cb 0.76 0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.82 2hub h TRP 111 CO 0.05 -0.07 0.40 -0.09 -2.79 0.00 0.00 178.44 175.94 2hub h ARG 112 N -0.05 0.75 0.00 2.65 2.43 -1.01 0.10 114.38 119.26 2hub h ARG 112 Ca 0.04 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2hub h ARG 112 Cb 0.10 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 2hub h ARG 112 CO -0.09 0.50 -0.74 -0.91 -1.51 0.00 0.00 179.97 177.23 2hub h ASN 113 N 0.77 0.00 0.00 -3.80 2.35 -1.08 -3.37 115.58 110.45 2hub h ASN 113 Ca 0.26 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2hub h ASN 113 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 2hub h ASN 113 CO -0.11 0.06 -0.62 0.54 -1.65 0.00 0.00 177.43 175.65 2hub n ARG 114 N -2.38 2.26 -0.06 0.81 1.74 -0.06 -4.91 116.66 114.06 2hub n ARG 114 Ca 0.02 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.99 2hub n ARG 114 Cb 0.49 -0.81 -0.05 0.00 -1.02 0.00 0.00 32.46 31.07 2hub n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2hub n LYS 116 N -3.26 1.87 -0.62 0.00 4.81 0.20 -1.43 118.16 119.72 2hub n LYS 116 Ca -0.23 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 57.88 2hub n LYS 116 Cb 0.70 -2.42 0.00 0.00 0.02 0.00 0.00 35.03 33.32 2hub n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2hub n GLY 117 N 3.40 1.21 3.93 3.14 0.00 -1.26 -4.94 105.19 110.67 2hub n GLY 117 Ca 0.19 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 2hub n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hub s THR 118 N -3.41 2.90 -1.15 2.61 -4.23 -0.52 -5.02 115.64 106.83 2hub s THR 118 Ca 0.00 -1.20 -0.22 0.00 -1.18 0.00 0.00 61.69 59.09 2hub s THR 118 Cb 0.00 -3.03 -0.02 0.00 1.34 0.00 0.00 72.50 70.80 2hub s THR 118 CO 0.00 -0.02 1.82 -0.62 -0.54 0.00 0.00 174.62 175.26 2hub s ASP 119 N -4.21 5.76 0.29 3.99 2.15 -1.26 -4.79 116.67 118.60 2hub s ASP 119 Ca 0.50 -1.70 0.26 0.00 0.43 0.00 0.00 52.55 52.04 2hub s ASP 119 Cb -0.06 -2.58 0.93 0.00 -0.30 0.00 0.00 42.92 40.91 2hub s ASP 119 CO 0.30 -2.27 1.76 -0.37 -0.17 0.00 0.00 175.17 174.42 2hub h VAL 120 N 6.26 0.00 -0.17 1.11 -1.51 -1.90 -2.71 116.25 117.32 2hub h VAL 120 Ca 0.26 -0.39 0.05 0.00 -1.23 0.00 0.00 66.70 65.39 2hub h VAL 120 Cb 0.94 1.25 -0.01 0.00 -2.13 0.00 0.00 31.29 31.35 2hub h VAL 120 CO 1.32 0.00 0.14 1.56 -1.23 0.00 0.00 177.57 179.36 2hub h GLN 121 N 0.00 0.00 -0.63 5.19 1.08 -1.88 -1.10 115.11 117.77 2hub h GLN 121 Ca 0.00 0.00 0.15 0.00 -1.45 0.00 0.00 58.65 57.35 2hub h GLN 121 Cb 0.54 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.93 2hub h GLN 121 CO 0.00 0.00 0.43 0.00 -0.95 0.00 0.00 178.83 178.31 2hub h ALA 122 N 1.88 2.29 0.00 3.87 0.00 -1.88 -1.70 119.26 123.71 2hub h ALA 122 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2hub h ALA 122 Cb 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2hub h ALA 122 CO -0.00 -0.46 0.00 0.91 0.00 0.00 0.00 179.25 179.70 2hub n TRP 123 N -4.43 0.42 -0.62 0.00 7.02 -0.42 -2.32 117.44 117.10 2hub n TRP 123 Ca 0.12 0.15 0.07 0.00 -1.02 0.00 0.00 57.50 56.81 2hub n TRP 123 Cb 0.55 -0.74 0.20 0.00 -2.42 0.00 0.00 31.31 28.90 2hub n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 2hub n ILE 124 N -1.87 1.68 -1.64 -0.99 -5.35 -0.65 -4.87 119.36 105.67 2hub n ILE 124 Ca 0.04 -1.50 -0.48 0.00 -0.27 0.00 0.00 62.75 60.54 2hub n ILE 124 Cb 0.28 0.09 -0.05 0.00 -1.74 0.00 0.00 39.64 38.22 2hub n ILE 124 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 2hub n ARG 125 N -0.15 1.81 0.00 6.28 0.63 -0.98 -1.70 116.66 122.55 2hub n ARG 125 Ca 0.16 0.65 0.00 0.00 -0.92 0.00 0.00 57.85 57.74 2hub n ARG 125 Cb 0.66 -2.38 0.00 0.00 0.45 0.00 0.00 32.46 31.19 2hub n ARG 125 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2hub n GLY 126 N 3.18 2.37 3.77 5.14 0.00 -1.26 -4.98 105.19 113.41 2hub n GLY 126 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 2hub n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hub s ARG 128 N -0.82 2.84 0.00 0.00 6.06 -1.26 -5.10 118.95 120.67 2hub s ARG 128 Ca 0.35 -1.04 0.00 0.00 -2.50 0.00 0.00 55.73 52.54 2hub s ARG 128 Cb -0.22 -3.52 0.00 0.00 0.06 0.00 0.00 34.95 31.27 2hub s ARG 128 CO 0.24 -0.60 0.05 1.28 -2.50 0.00 0.00 175.30 173.77