#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d4i s VAL 2 N 0.00 3.38 0.42 3.15 1.01 -1.26 -1.28 120.40 125.82 2d4i s VAL 2 Ca 0.00 -0.95 -0.23 0.00 0.00 0.00 0.00 61.98 60.80 2d4i s VAL 2 Cb 0.00 -2.77 -0.10 0.00 0.00 0.00 0.00 36.38 33.51 2d4i s VAL 2 CO 0.00 0.08 1.00 -0.36 0.00 0.00 0.00 175.10 175.83 2d4i s PHE 3 N 1.39 3.28 0.69 5.22 0.40 -0.61 -5.02 117.98 123.33 2d4i s PHE 3 Ca 0.00 1.64 -0.12 0.00 -0.60 0.00 0.00 56.93 57.85 2d4i s PHE 3 Cb -0.17 -3.01 0.01 0.00 0.51 0.00 0.00 43.02 40.36 2d4i s PHE 3 CO -0.01 -0.41 1.07 0.20 0.70 0.00 0.00 175.22 176.78 2d4i s GLY 4 N -1.83 1.84 0.09 4.36 0.00 -1.26 -4.86 107.32 105.67 2d4i s GLY 4 Ca 0.60 0.27 -0.26 0.00 0.00 0.00 0.00 44.72 45.32 2d4i s GLY 4 CO 0.21 0.59 1.68 -0.09 0.00 0.00 0.00 173.10 175.49 2d4i h ARG 5 N -0.46 -0.37 -0.06 2.90 2.43 -1.97 -0.90 114.38 115.95 2d4i h ARG 5 Ca -0.45 0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 58.62 2d4i h ARG 5 Cb 1.22 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 2d4i h ARG 5 CO 0.55 -0.24 -0.54 0.00 -1.51 0.00 0.00 179.97 178.23 2d4i h GLU 7 N 0.14 0.12 -0.53 0.00 4.81 -1.90 -0.76 114.58 116.47 2d4i h GLU 7 Ca 0.00 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 2d4i h GLU 7 Cb 0.99 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.32 2d4i h GLU 7 CO 0.08 0.08 0.02 1.25 -0.73 0.00 0.00 179.01 179.71 2d4i h LEU 8 N 0.13 0.89 -0.67 1.64 5.85 -0.98 -2.26 115.31 119.91 2d4i h LEU 8 Ca 0.13 -0.29 0.05 0.00 0.84 0.00 0.00 57.88 58.61 2d4i h LEU 8 Cb 0.16 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 2d4i h LEU 8 CO -0.20 0.97 0.38 0.00 -0.34 0.00 0.00 178.44 179.25 2d4i h ALA 9 N 0.96 0.90 -0.53 1.25 0.00 -1.00 0.11 119.26 120.94 2d4i h ALA 9 Ca 0.15 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 2d4i h ALA 9 Cb 0.49 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2d4i h ALA 9 CO 0.02 0.08 -0.04 0.00 0.00 0.00 0.00 179.25 179.32 2d4i h ALA 10 N 1.34 0.93 -0.54 0.00 0.00 -1.03 -0.74 119.26 119.22 2d4i h ALA 10 Ca 0.29 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2d4i h ALA 10 Cb 0.15 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2d4i h ALA 10 CO -0.17 0.63 -0.07 0.00 0.00 0.00 0.00 179.25 179.64 2d4i h ALA 11 N 1.10 0.74 -0.68 0.00 0.00 -0.77 -0.27 119.26 119.37 2d4i h ALA 11 Ca 0.15 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 2d4i h ALA 11 Cb 0.55 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2d4i h ALA 11 CO 0.03 0.63 0.15 0.52 0.00 0.00 0.00 179.25 180.58 2d4i h MET 12 N 0.88 1.11 -0.44 0.00 2.86 -0.57 -2.13 114.93 116.64 2d4i h MET 12 Ca 0.14 -0.28 -0.05 0.00 -2.06 0.00 0.00 59.70 57.46 2d4i h MET 12 Cb 0.64 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 2d4i h MET 12 CO 0.04 0.99 0.10 -0.22 1.06 0.00 0.00 176.91 178.88 2d4i h LYS 13 N 1.04 0.71 -0.94 1.72 3.64 -0.89 -2.13 116.57 119.71 2d4i h LYS 13 Ca 0.21 -0.18 0.14 0.00 -1.27 0.00 0.00 60.65 59.56 2d4i h LYS 13 Cb 0.39 -0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 32.04 2d4i h LYS 13 CO 0.01 0.72 0.60 -0.09 -2.27 0.00 0.00 179.45 178.42 2d4i h ARG 14 N 0.58 0.78 -0.47 1.90 2.43 -0.80 -1.99 114.38 116.81 2d4i h ARG 14 Ca 0.14 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2d4i h ARG 14 Cb 0.34 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2d4i h ARG 14 CO 0.00 0.51 0.00 0.72 -1.51 0.00 0.00 179.97 179.70 2d4i n HIS 15 N -4.60 0.60 -1.38 2.20 8.25 -0.82 -4.93 115.22 114.53 2d4i n HIS 15 Ca 0.19 -0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2d4i n HIS 15 Cb 0.45 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.48 2d4i n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2d4i n GLY 16 N 0.85 0.38 0.09 -1.41 0.00 -0.75 -4.97 105.19 99.38 2d4i n GLY 16 Ca 0.12 -1.01 0.12 0.00 0.00 0.00 0.00 46.02 45.25 2d4i n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2d4i h LEU 17 N 0.00 0.00 -9.12 0.99 3.38 -1.59 -3.40 115.31 105.57 2d4i h LEU 17 Ca 0.00 -0.15 -0.56 0.00 0.09 0.00 0.00 57.88 57.26 2d4i h LEU 17 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2d4i h LEU 17 CO 0.00 0.07 1.19 -0.62 0.09 0.00 0.00 178.44 179.17 2d4i s ASP 18 N -4.56 6.31 -0.99 -0.43 2.15 -1.26 -1.62 116.67 116.27 2d4i s ASP 18 Ca 0.05 1.95 0.00 0.00 0.43 0.00 0.00 52.55 54.98 2d4i s ASP 18 Cb 0.12 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 2d4i s ASP 18 CO 0.72 -1.26 0.00 0.59 -0.17 0.00 0.00 175.17 175.05 2d4i n ASN 19 N 8.52 -4.63 -4.68 -0.34 5.03 0.00 -4.87 115.26 114.29 2d4i n ASN 19 Ca 0.20 0.23 -0.42 0.00 0.87 0.00 0.00 54.58 55.46 2d4i n ASN 19 Cb 0.44 -2.95 -0.03 0.00 -1.02 0.00 0.00 39.78 36.22 2d4i n ASN 19 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 2d4i s TYR 20 N -2.18 2.28 -1.24 3.10 5.04 -0.64 -1.66 117.35 122.05 2d4i s TYR 20 Ca 0.00 0.23 -0.04 0.00 -2.44 0.00 0.00 57.07 54.82 2d4i s TYR 20 Cb 0.00 -3.99 0.03 0.00 0.35 0.00 0.00 41.96 38.35 2d4i s TYR 20 CO 0.00 -4.04 0.26 0.54 -1.34 0.00 0.00 175.55 170.97 2d4i n ARG 21 N 5.90 -3.01 -1.01 4.97 5.12 -1.26 -1.90 116.66 125.48 2d4i n ARG 21 Ca 0.16 0.62 -0.00 0.00 -1.93 0.00 0.00 57.85 56.70 2d4i n ARG 21 Cb 0.41 -5.29 -0.00 0.00 -1.16 0.00 0.00 32.46 26.41 2d4i n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2d4i n GLY 22 N -1.05 0.46 3.42 -0.13 0.00 -0.67 -5.03 105.19 102.20 2d4i n GLY 22 Ca -0.10 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.04 2d4i n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2d4i s TYR 23 N -2.00 3.22 0.84 1.61 2.02 -0.80 -4.91 117.35 117.34 2d4i s TYR 23 Ca 0.00 -0.70 -0.12 0.00 -0.37 0.00 0.00 57.07 55.88 2d4i s TYR 23 Cb 0.00 -2.42 0.10 0.00 -0.40 0.00 0.00 41.96 39.24 2d4i s TYR 23 CO 0.00 -0.54 1.16 -1.54 -1.57 0.00 0.00 175.55 173.07 2d4i s SER 24 N 1.60 3.49 0.28 2.29 1.04 -1.26 -0.82 113.70 120.33 2d4i s SER 24 Ca 0.04 2.22 0.02 0.00 0.48 0.00 0.00 55.95 58.70 2d4i s SER 24 Cb -0.18 -2.57 0.58 0.00 0.10 0.00 0.00 66.02 63.94 2d4i s SER 24 CO 0.07 -2.73 1.83 0.25 0.98 0.00 0.00 173.24 173.64 2d4i h LEU 25 N -1.27 0.92 -1.38 2.42 5.85 -1.89 -0.74 115.31 119.20 2d4i h LEU 25 Ca -0.45 0.05 0.11 0.00 0.84 0.00 0.00 57.88 58.44 2d4i h LEU 25 Cb 1.28 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 42.12 2d4i h LEU 25 CO 0.45 0.47 0.52 1.23 -0.34 0.00 0.00 178.44 180.77 2d4i h GLY 26 N 0.97 1.00 0.74 3.75 0.00 -1.91 -1.09 103.07 106.54 2d4i h GLY 26 Ca 0.51 -0.28 0.05 0.00 0.00 0.00 0.00 47.33 47.61 2d4i h GLY 26 CO -0.28 0.14 0.40 3.43 0.00 0.00 0.00 176.54 180.23 2d4i h ASN 27 N 0.66 0.62 -0.34 0.19 2.35 -1.36 -0.78 115.58 116.92 2d4i h ASN 27 Ca 0.38 0.02 -0.14 0.00 -0.55 0.00 0.00 56.30 56.00 2d4i h ASN 27 Cb 0.56 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 2d4i h ASN 27 CO -0.15 0.41 -0.35 -0.50 -1.65 0.00 0.00 177.43 175.20 2d4i h TRP 28 N 0.75 1.01 -0.41 1.19 4.06 -1.25 -0.40 115.95 120.90 2d4i h TRP 28 Ca 0.30 -0.30 -0.12 0.00 2.06 0.00 0.00 58.89 60.82 2d4i h TRP 28 Cb 0.13 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 28.07 2d4i h TRP 28 CO -0.06 1.10 -0.23 0.28 -3.56 0.00 0.00 178.44 175.96 2d4i h VAL 29 N 0.63 1.28 -0.68 1.49 2.07 -1.24 -1.40 116.25 118.40 2d4i h VAL 29 Ca 0.05 -1.39 -0.01 0.00 0.82 0.00 0.00 66.70 66.18 2d4i h VAL 29 Cb 0.93 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 2d4i h VAL 29 CO 0.09 0.47 0.40 0.00 0.02 0.00 0.00 177.57 178.54 2d4i h ALA 31 N 1.20 0.08 -0.74 0.00 0.00 -0.88 -2.18 119.26 116.74 2d4i h ALA 31 Ca 0.24 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 2d4i h ALA 31 Cb -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2d4i h ALA 31 CO -0.04 -0.44 0.39 0.00 0.00 0.00 0.00 179.25 179.16 2d4i h ALA 32 N 1.05 1.28 -0.36 0.00 0.00 -0.90 0.66 119.26 121.00 2d4i h ALA 32 Ca 0.03 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.85 2d4i h ALA 32 Cb 0.02 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 2d4i h ALA 32 CO -0.04 0.57 0.16 -0.22 0.00 0.00 0.00 179.25 179.73 2d4i h LYS 33 N 1.04 0.32 0.00 0.00 1.63 -0.73 -1.41 116.57 117.43 2d4i h LYS 33 Ca 0.26 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.04 2d4i h LYS 33 Cb 0.05 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 2d4i h LYS 33 CO -0.04 0.21 -0.92 1.19 -3.45 0.00 0.00 179.45 176.45 2d4i n PHE 34 N -4.97 0.59 0.01 1.91 3.72 -0.86 -0.77 117.46 117.10 2d4i n PHE 34 Ca 0.01 0.17 -0.17 0.00 -0.05 0.00 0.00 57.45 57.41 2d4i n PHE 34 Cb 0.10 -0.69 -0.13 0.00 -0.94 0.00 0.00 39.48 37.83 2d4i n PHE 34 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2d4i h GLU 35 N 0.00 0.28 0.00 -1.08 4.39 -0.81 -3.43 114.58 113.93 2d4i h GLU 35 Ca 0.00 -0.37 0.00 0.00 0.34 0.00 0.00 59.36 59.33 2d4i h GLU 35 Cb 0.84 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.61 2d4i h GLU 35 CO 0.00 1.10 0.00 -1.13 -1.16 0.00 0.00 179.01 177.82 2d4i n SER 36 N -4.29 0.23 -3.91 1.42 3.41 -0.56 -4.87 113.62 105.05 2d4i n SER 36 Ca -0.11 -0.78 -0.30 0.00 -0.26 0.00 0.00 58.87 57.41 2d4i n SER 36 Cb 0.67 0.08 0.03 0.00 -0.26 0.00 0.00 64.21 64.72 2d4i n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2d4i n ASN 37 N -0.08 -4.61 -1.44 4.04 5.15 0.05 -1.98 115.26 116.40 2d4i n ASN 37 Ca 0.00 -0.78 -0.17 0.00 -0.60 0.00 0.00 54.58 53.02 2d4i n ASN 37 Cb 0.13 -3.88 -0.06 0.00 -0.53 0.00 0.00 39.78 35.43 2d4i n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2d4i n PHE 38 N -4.67 -0.15 -3.58 1.20 3.72 -1.21 -4.87 117.46 107.91 2d4i n PHE 38 Ca 0.02 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.03 2d4i n PHE 38 Cb 0.53 -3.05 -0.11 0.00 -0.94 0.00 0.00 39.48 35.91 2d4i n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2d4i s ASN 39 N -2.71 5.84 0.59 4.37 3.84 -0.84 -1.57 114.94 124.46 2d4i s ASN 39 Ca 0.00 -0.54 0.33 0.00 0.21 0.00 0.00 52.86 52.86 2d4i s ASN 39 Cb 0.00 -2.08 1.85 0.00 -0.55 0.00 0.00 41.25 40.47 2d4i s ASN 39 CO 0.00 -0.25 2.22 0.71 -2.79 0.00 0.00 177.10 176.99 2d4i h THR 40 N 5.60 0.37 -0.19 -5.21 1.35 -1.51 -2.49 112.91 110.83 2d4i h THR 40 Ca -0.31 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 2d4i h THR 40 Cb 1.15 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 2d4i h THR 40 CO 0.64 0.03 0.00 0.00 -0.25 0.00 0.00 175.52 175.94 2d4i n GLN 41 N -3.55 2.06 -1.86 4.72 6.02 -1.26 -4.09 117.38 119.42 2d4i n GLN 41 Ca -0.02 -1.58 -0.41 0.00 -0.01 0.00 0.00 57.00 54.98 2d4i n GLN 41 Cb 0.14 -1.46 -0.01 0.00 1.02 0.00 0.00 30.24 29.93 2d4i n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2d4i s ALA 42 N -1.77 3.59 0.01 -1.58 0.00 -0.94 -4.79 121.76 116.28 2d4i s ALA 42 Ca 0.34 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.82 2d4i s ALA 42 Cb 0.20 -3.59 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 2d4i s ALA 42 CO 0.30 -0.96 -0.02 0.95 0.00 0.00 0.00 175.76 176.02 2d4i s THR 43 N -0.93 0.11 -0.05 0.00 -4.23 -1.26 -0.50 115.64 108.77 2d4i s THR 43 Ca 0.54 -0.46 -0.02 0.00 -1.18 0.00 0.00 61.69 60.57 2d4i s THR 43 Cb -0.45 -0.18 0.04 0.00 1.34 0.00 0.00 72.50 73.25 2d4i s THR 43 CO 0.59 -0.22 0.09 0.21 -0.54 0.00 0.00 174.62 174.75 2d4i s ASN 44 N -0.70 0.65 -0.06 3.99 2.47 -0.61 -5.00 114.94 115.69 2d4i s ASN 44 Ca -0.07 0.17 -0.20 0.00 0.42 0.00 0.00 52.86 53.19 2d4i s ASN 44 Cb -0.05 0.03 -0.05 0.00 -1.45 0.00 0.00 41.25 39.74 2d4i s ASN 44 CO -0.00 -0.21 0.56 -0.60 -3.72 0.00 0.00 177.10 173.12 2d4i s ARG 45 N 1.86 4.33 0.34 0.43 3.00 -1.26 -0.60 118.95 127.04 2d4i s ARG 45 Ca -0.00 0.64 0.02 0.00 -1.00 0.00 0.00 55.73 55.39 2d4i s ARG 45 Cb -0.12 -3.39 -0.02 0.00 0.00 0.00 0.00 34.95 31.42 2d4i s ARG 45 CO -0.04 0.25 0.52 -0.80 0.00 0.00 0.00 175.30 175.23 2d4i s ASN 46 N 0.25 6.17 0.50 -2.12 0.02 0.74 -4.98 114.94 115.52 2d4i s ASN 46 Ca 0.30 0.25 0.29 0.00 -1.02 0.00 0.00 52.86 52.68 2d4i s ASN 46 Cb -0.17 -1.79 1.23 0.00 0.02 0.00 0.00 41.25 40.53 2d4i s ASN 46 CO 0.15 -0.34 1.94 0.71 0.02 0.00 0.00 177.10 179.58 2d4i h THR 47 N 0.80 0.33 -0.02 1.60 1.35 -1.98 -2.53 112.91 112.46 2d4i h THR 47 Ca -0.49 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 64.61 2d4i h THR 47 Cb 1.23 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 69.23 2d4i h THR 47 CO 0.59 0.11 0.00 -0.90 -0.25 0.00 0.00 175.52 175.08 2d4i n ASP 48 N -3.31 0.27 0.00 5.36 5.68 -1.26 -4.86 116.55 118.44 2d4i n ASP 48 Ca -0.00 -1.39 0.00 0.00 -0.50 0.00 0.00 54.79 52.90 2d4i n ASP 48 Cb 0.34 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 2d4i n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2d4i n GLY 49 N 0.88 0.80 3.93 6.12 0.00 -0.95 -4.92 105.19 111.05 2d4i n GLY 49 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 2d4i n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d4i s SER 50 N -2.59 5.45 0.02 1.61 1.04 -1.26 -4.55 113.70 113.41 2d4i s SER 50 Ca 0.00 0.49 0.03 0.00 0.48 0.00 0.00 55.95 56.95 2d4i s SER 50 Cb 0.00 -1.45 -0.01 0.00 0.10 0.00 0.00 66.02 64.65 2d4i s SER 50 CO 0.00 -1.11 -0.10 -0.89 0.98 0.00 0.00 173.24 172.13 2d4i s THR 51 N -2.93 0.74 -0.18 2.02 2.01 -1.26 -0.19 115.64 115.86 2d4i s THR 51 Ca 0.54 -0.68 -0.10 0.00 0.31 0.00 0.00 61.69 61.77 2d4i s THR 51 Cb -0.10 -0.68 -0.05 0.00 0.01 0.00 0.00 72.50 71.68 2d4i s THR 51 CO 0.43 0.01 0.16 -1.81 -0.69 0.00 0.00 174.62 172.72 2d4i s ASP 52 N -0.75 6.28 -0.07 3.53 1.01 0.23 -1.37 116.67 125.53 2d4i s ASP 52 Ca -0.00 0.31 0.05 0.00 0.71 0.00 0.00 52.55 53.62 2d4i s ASP 52 Cb -0.06 -2.10 -0.00 0.00 1.01 0.00 0.00 42.92 41.77 2d4i s ASP 52 CO 0.00 0.21 -0.23 -0.31 0.21 0.00 0.00 175.17 175.05 2d4i s TYR 53 N 0.13 2.31 0.00 4.23 1.51 -0.04 -1.57 117.35 123.92 2d4i s TYR 53 Ca 0.10 -0.78 0.00 0.00 -1.01 0.00 0.00 57.07 55.38 2d4i s TYR 53 Cb -0.11 -1.54 0.00 0.00 -0.11 0.00 0.00 41.96 40.20 2d4i s TYR 53 CO -0.00 -0.28 0.00 0.41 -1.11 0.00 0.00 175.55 174.57 2d4i n GLY 54 N 3.20 -1.91 0.31 0.71 0.00 0.34 -1.73 105.19 106.11 2d4i n GLY 54 Ca -0.18 -1.42 0.12 0.00 0.00 0.00 0.00 46.02 44.54 2d4i n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2d4i h ILE 55 N 0.00 0.92 -0.12 -0.61 6.09 -1.71 -1.62 117.51 120.45 2d4i h ILE 55 Ca 0.00 -0.02 0.00 0.00 -1.37 0.00 0.00 64.86 63.47 2d4i h ILE 55 Cb 0.00 0.85 0.00 0.00 0.47 0.00 0.00 36.82 38.14 2d4i h ILE 55 CO 0.00 0.01 0.00 0.18 -3.07 0.00 0.00 178.15 175.27 2d4i n LEU 56 N -4.48 2.74 -3.79 2.19 4.77 -1.26 -4.20 117.00 112.97 2d4i n LEU 56 Ca 0.02 -2.65 -0.31 0.00 -0.03 0.00 0.00 56.01 53.05 2d4i n LEU 56 Cb 0.27 -0.33 0.02 0.00 -2.33 0.00 0.00 43.42 41.05 2d4i n LEU 56 CO 0.35 0.65 -0.13 0.00 -1.33 0.00 0.00 177.39 176.94 2d4i n GLN 57 N -0.68 -1.85 -2.78 3.23 1.13 -0.61 -4.92 117.38 110.89 2d4i n GLN 57 Ca 0.13 0.41 -0.40 0.00 -1.94 0.00 0.00 57.00 55.20 2d4i n GLN 57 Cb 0.58 -4.14 -0.05 0.00 0.11 0.00 0.00 30.24 26.74 2d4i n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2d4i s ILE 58 N -3.62 4.34 -0.06 5.09 1.01 -0.70 -4.41 121.20 122.84 2d4i s ILE 58 Ca 0.33 2.01 -0.17 0.00 0.00 0.00 0.00 60.65 62.81 2d4i s ILE 58 Cb -0.12 -4.29 -0.05 0.00 0.01 0.00 0.00 42.46 38.01 2d4i s ILE 58 CO 0.88 0.41 0.45 0.21 0.00 0.00 0.00 174.94 176.89 2d4i s ASN 59 N -0.57 6.75 0.00 3.58 3.84 -1.26 -0.86 114.94 126.42 2d4i s ASN 59 Ca 0.43 0.89 0.25 0.00 0.21 0.00 0.00 52.86 54.64 2d4i s ASN 59 Cb -0.24 -2.28 1.19 0.00 -0.55 0.00 0.00 41.25 39.37 2d4i s ASN 59 CO 0.30 0.14 1.83 -1.54 -2.79 0.00 0.00 177.10 175.04 2d4i n SER 60 N 2.86 0.00 0.03 -4.21 3.41 -0.47 -1.99 113.62 113.25 2d4i n SER 60 Ca -0.10 0.16 -0.08 0.00 -0.26 0.00 0.00 58.87 58.59 2d4i n SER 60 Cb 0.52 -0.37 0.08 0.00 -0.26 0.00 0.00 64.21 64.18 2d4i n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2d4i h ARG 61 N 0.00 0.46 0.00 4.33 2.43 -1.84 -3.41 114.38 116.35 2d4i h ARG 61 Ca 0.00 -0.29 -0.03 0.00 -0.81 0.00 0.00 59.98 58.85 2d4i h ARG 61 Cb 0.31 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2d4i h ARG 61 CO 0.00 0.89 -1.10 0.91 -1.51 0.00 0.00 179.97 179.16 2d4i n TRP 62 N -3.94 0.00 -0.06 2.20 7.02 -1.21 -1.63 117.44 119.82 2d4i n TRP 62 Ca -0.03 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.39 2d4i n TRP 62 Cb 0.60 -0.07 -0.09 0.00 -2.42 0.00 0.00 31.31 29.33 2d4i n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 2d4i n TRP 63 N -2.21 0.00 -4.04 -5.99 7.02 -0.84 -1.17 117.44 110.21 2d4i n TRP 63 Ca -0.03 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.38 2d4i n TRP 63 Cb 0.54 -0.57 -0.10 0.00 -2.42 0.00 0.00 31.31 28.76 2d4i n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2d4i s ASN 65 N -2.70 6.06 0.00 0.00 2.47 -0.32 -4.55 114.94 115.90 2d4i s ASN 65 Ca 0.03 0.04 0.07 0.00 0.42 0.00 0.00 52.86 53.43 2d4i s ASN 65 Cb 0.05 -2.12 0.10 0.00 -1.45 0.00 0.00 41.25 37.83 2d4i s ASN 65 CO -0.09 -0.03 0.87 -0.90 -3.72 0.00 0.00 177.10 173.24 2d4i n ASP 66 N 4.88 1.93 0.00 -4.21 5.68 -1.26 -1.06 116.55 122.51 2d4i n ASP 66 Ca -0.14 -1.54 0.00 0.00 -0.50 0.00 0.00 54.79 52.61 2d4i n ASP 66 Cb 0.52 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 2d4i n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2d4i n GLY 67 N 0.30 0.22 0.29 6.12 0.00 -1.26 -4.79 105.19 106.07 2d4i n GLY 67 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.09 2d4i n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2d4i n ARG 68 N -0.76 0.47 -3.87 1.61 1.85 -1.26 -5.04 116.66 109.66 2d4i n ARG 68 Ca 0.00 -1.30 -0.36 0.00 -1.00 0.00 0.00 57.85 55.20 2d4i n ARG 68 Cb 0.26 -0.75 -0.13 0.00 -1.05 0.00 0.00 32.46 30.79 2d4i n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2d4i s THR 69 N -0.69 3.25 0.35 8.89 2.01 -1.26 -4.90 115.64 123.28 2d4i s THR 69 Ca 0.07 -1.17 -0.29 0.00 0.31 0.00 0.00 61.69 60.62 2d4i s THR 69 Cb 0.06 -2.79 -0.11 0.00 0.01 0.00 0.00 72.50 69.67 2d4i s THR 69 CO 0.01 -0.03 1.42 -2.84 -0.69 0.00 0.00 174.62 172.48 2d4i s PRO 70 N 1.33 4.21 -0.55 4.92 0.02 -1.26 -3.07 135.00 140.60 2d4i s PRO 70 Ca -0.02 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.42 2d4i s PRO 70 Cb -0.19 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.31 2d4i s PRO 70 CO -0.01 -0.40 0.00 0.41 -0.33 0.00 0.00 177.00 176.68 2d4i n GLY 71 N 0.78 0.13 3.89 0.52 0.00 -1.26 -4.99 105.19 104.25 2d4i n GLY 71 Ca 0.01 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 2d4i n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d4i s SER 72 N -2.72 6.50 -0.02 1.61 1.04 -1.18 -4.91 113.70 114.04 2d4i s SER 72 Ca 0.00 0.82 0.03 0.00 0.48 0.00 0.00 55.95 57.27 2d4i s SER 72 Cb 0.00 -2.19 0.04 0.00 0.10 0.00 0.00 66.02 63.97 2d4i s SER 72 CO 0.00 -0.18 0.88 -1.14 0.98 0.00 0.00 173.24 173.77 2d4i n ARG 73 N -0.76 1.68 -3.42 4.02 0.00 -0.65 -5.01 116.66 112.53 2d4i n ARG 73 Ca -0.01 -1.32 -0.08 0.00 -0.00 0.00 0.00 57.85 56.44 2d4i n ARG 73 Cb 0.53 -0.88 0.00 0.00 0.00 0.00 0.00 32.46 32.11 2d4i n ARG 73 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2d4i n ASN 74 N -0.44 -0.91 0.21 6.15 5.15 -1.15 -4.86 115.26 119.40 2d4i n ASN 74 Ca 0.02 -0.25 0.13 0.00 -0.60 0.00 0.00 54.58 53.88 2d4i n ASN 74 Cb 0.41 -0.33 0.24 0.00 -0.53 0.00 0.00 39.78 39.57 2d4i n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2d4i h LEU 75 N 1.47 0.00 -0.79 1.20 3.38 -1.17 -2.20 115.31 117.20 2d4i h LEU 75 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2d4i h LEU 75 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2d4i h LEU 75 CO 0.10 0.00 -0.06 0.00 0.09 0.00 0.00 178.44 178.56 2d4i n ASN 77 N -0.11 -1.43 -3.85 0.00 5.15 -0.83 -5.01 115.26 109.18 2d4i n ASN 77 Ca 0.17 -0.76 -0.11 0.00 -0.60 0.00 0.00 54.58 53.28 2d4i n ASN 77 Cb 0.34 -4.35 -0.09 0.00 -0.53 0.00 0.00 39.78 35.16 2d4i n ASN 77 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2d4i s ILE 78 N -3.58 0.10 0.40 -1.44 -4.36 -1.26 -5.08 121.20 105.97 2d4i s ILE 78 Ca 0.01 -0.81 -0.25 0.00 -0.26 0.00 0.00 60.65 59.33 2d4i s ILE 78 Cb -0.00 -0.76 -0.08 0.00 1.25 0.00 0.00 42.46 42.87 2d4i s ILE 78 CO 0.79 -0.45 1.19 -2.16 0.24 0.00 0.00 174.94 174.55 2d4i s PRO 79 N -2.14 4.06 0.56 0.37 0.04 -1.26 -1.17 135.00 135.47 2d4i s PRO 79 Ca -0.08 1.88 0.25 0.00 0.04 0.00 0.00 61.00 63.08 2d4i s PRO 79 Cb -0.03 -2.70 1.60 0.00 0.04 0.00 0.00 34.50 33.41 2d4i s PRO 79 CO -0.02 -0.33 2.19 0.00 0.04 0.00 0.00 177.00 178.89 2d4i h SER 81 N 0.00 0.00 0.48 0.00 4.64 -1.91 -0.77 113.55 116.00 2d4i h SER 81 Ca 0.02 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2d4i h SER 81 Cb 0.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2d4i h SER 81 CO -0.00 0.11 -0.05 0.00 -0.87 0.00 0.00 176.83 176.03 2d4i h ALA 82 N 1.89 1.10 -0.00 5.18 0.00 -1.62 -2.11 119.26 123.70 2d4i h ALA 82 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2d4i h ALA 82 Cb 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2d4i h ALA 82 CO 0.01 0.06 -0.02 1.28 0.00 0.00 0.00 179.25 180.58 2d4i n LEU 83 N -3.29 0.29 -1.33 0.00 4.77 -0.29 -3.35 117.00 113.80 2d4i n LEU 83 Ca -0.01 -0.01 0.11 0.00 -0.03 0.00 0.00 56.01 56.07 2d4i n LEU 83 Cb 0.21 -0.09 0.31 0.00 -2.33 0.00 0.00 43.42 41.52 2d4i n LEU 83 CO 0.26 0.05 0.77 0.18 -1.33 0.00 0.00 177.39 177.32 2d4i n LEU 84 N -0.90 4.04 -4.80 2.23 4.77 -0.79 -4.07 117.00 117.48 2d4i n LEU 84 Ca 0.19 -2.11 -0.32 0.00 -0.03 0.00 0.00 56.01 53.75 2d4i n LEU 84 Cb 0.20 -0.49 0.05 0.00 -2.33 0.00 0.00 43.42 40.85 2d4i n LEU 84 CO 0.20 0.93 0.71 -0.94 -1.33 0.00 0.00 177.39 176.96 2d4i s SER 85 N -0.99 5.33 0.30 -1.43 1.04 -1.21 -4.50 113.70 112.23 2d4i s SER 85 Ca 0.47 1.74 0.02 0.00 0.48 0.00 0.00 55.95 58.67 2d4i s SER 85 Cb 0.26 -2.52 0.46 0.00 0.10 0.00 0.00 66.02 64.33 2d4i s SER 85 CO 0.30 -1.48 1.78 0.28 0.98 0.00 0.00 173.24 175.10 2d4i h SER 86 N -0.39 0.53 -3.09 7.02 0.02 -1.93 -3.42 113.55 112.30 2d4i h SER 86 Ca -0.45 -0.14 -0.57 0.00 -0.84 0.00 0.00 61.79 59.79 2d4i h SER 86 Cb 1.22 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 63.57 2d4i h SER 86 CO 0.56 0.69 0.76 -0.62 -1.14 0.00 0.00 176.83 177.08 2d4i s ASP 87 N -6.76 7.11 0.00 3.07 2.15 -1.26 -4.97 116.67 116.01 2d4i s ASP 87 Ca -0.08 1.48 0.31 0.00 0.43 0.00 0.00 52.55 54.70 2d4i s ASP 87 Cb 0.14 -2.54 1.68 0.00 -0.30 0.00 0.00 42.92 41.90 2d4i s ASP 87 CO 0.79 -0.63 2.11 2.30 -0.17 0.00 0.00 175.17 179.56 2d4i n ILE 88 N 5.12 0.00 -0.09 4.11 -5.35 -1.26 -4.41 119.36 117.48 2d4i n ILE 88 Ca 0.12 -0.04 -0.07 0.00 -0.27 0.00 0.00 62.75 62.49 2d4i n ILE 88 Cb 0.46 -0.33 -0.00 0.00 -1.74 0.00 0.00 39.64 38.03 2d4i n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 2d4i h THR 89 N 0.35 0.37 -0.69 7.28 2.02 -1.95 -0.40 112.91 119.89 2d4i h THR 89 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 2d4i h THR 89 Cb 0.14 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 2d4i h THR 89 CO 0.00 0.00 0.30 0.00 0.37 0.00 0.00 175.52 176.19 2d4i h ALA 90 N 0.95 0.89 -0.52 6.16 0.00 -1.87 -0.66 119.26 124.22 2d4i h ALA 90 Ca 0.17 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2d4i h ALA 90 Cb 0.46 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2d4i h ALA 90 CO -0.46 0.49 0.31 0.77 0.00 0.00 0.00 179.25 180.36 2d4i h SER 91 N 0.97 0.62 -0.42 0.00 0.02 -1.69 -2.01 113.55 111.04 2d4i h SER 91 Ca 0.23 -0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 61.05 2d4i h SER 91 Cb 0.17 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 2d4i h SER 91 CO -0.02 0.50 -0.01 0.58 -1.14 0.00 0.00 176.83 176.74 2d4i h VAL 92 N 0.69 1.26 -0.70 2.27 2.07 -0.67 -0.03 116.25 121.14 2d4i h VAL 92 Ca 0.18 -1.04 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 2d4i h VAL 92 Cb -0.00 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 2d4i h VAL 92 CO -0.03 0.35 0.34 0.78 0.02 0.00 0.00 177.57 179.03 2d4i h ASN 93 N 0.58 0.90 0.15 0.57 2.35 -1.06 -1.20 115.58 117.88 2d4i h ASN 93 Ca 0.12 -0.09 -0.23 0.00 -0.55 0.00 0.00 56.30 55.55 2d4i h ASN 93 Cb 0.50 -0.23 0.01 0.00 0.05 0.00 0.00 38.32 38.64 2d4i h ASN 93 CO 0.02 0.76 -0.89 0.00 -1.65 0.00 0.00 177.43 175.67 2d4i h ALA 95 N 0.67 1.49 -0.43 0.00 0.00 -0.59 -1.46 119.26 118.94 2d4i h ALA 95 Ca -0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2d4i h ALA 95 Cb 1.52 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 2d4i h ALA 95 CO 0.16 0.42 0.19 0.87 0.00 0.00 0.00 179.25 180.89 2d4i h LYS 96 N 0.74 0.60 -0.26 0.00 1.57 -1.16 -0.23 116.57 117.84 2d4i h LYS 96 Ca 0.19 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 2d4i h LYS 96 Cb 0.04 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2d4i h LYS 96 CO -0.03 0.49 -0.20 -0.22 -0.57 0.00 0.00 179.45 178.92 2d4i h LYS 97 N 0.61 0.59 -0.49 3.15 3.64 -1.31 -3.16 116.57 119.60 2d4i h LYS 97 Ca 0.15 -0.29 -0.05 0.00 -1.27 0.00 0.00 60.65 59.19 2d4i h LYS 97 Cb 0.09 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2d4i h LYS 97 CO -0.02 0.88 0.11 0.82 -2.27 0.00 0.00 179.45 178.97 2d4i h ILE 98 N 0.32 1.24 0.00 2.00 2.04 -0.80 -2.55 117.51 119.76 2d4i h ILE 98 Ca 0.05 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.06 2d4i h ILE 98 Cb 0.74 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 2d4i h ILE 98 CO 0.05 0.31 0.00 1.62 0.00 0.00 0.00 178.15 180.13 2d4i h VAL 99 N 0.67 0.00 -0.17 1.67 3.04 -1.12 -1.57 116.25 118.78 2d4i h VAL 99 Ca 0.15 -0.35 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 2d4i h VAL 99 Cb 0.34 1.20 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 2d4i h VAL 99 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.57 175.36 2d4i n SER 100 N -2.63 2.00 -1.32 3.17 7.64 -0.97 -3.72 113.62 117.80 2d4i n SER 100 Ca 0.01 -1.74 0.06 0.00 1.01 0.00 0.00 58.87 58.22 2d4i n SER 100 Cb 0.26 -0.10 0.27 0.00 -1.01 0.00 0.00 64.21 63.62 2d4i n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2d4i n ASP 101 N 0.54 3.85 0.00 6.43 2.03 -0.59 -4.87 116.55 123.95 2d4i n ASP 101 Ca 0.17 -2.44 0.00 0.00 0.52 0.00 0.00 54.79 53.04 2d4i n ASP 101 Cb 0.39 -0.54 0.00 0.00 -0.72 0.00 0.00 41.12 40.25 2d4i n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2d4i n GLY 102 N 0.73 0.75 0.00 0.27 0.00 -1.26 -4.94 105.19 100.74 2d4i n GLY 102 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2d4i n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2d4i n ASN 103 N 0.00 1.23 0.00 1.61 3.02 -1.26 -5.12 115.26 114.74 2d4i n ASN 103 Ca 0.00 -1.60 0.00 0.00 -0.03 0.00 0.00 54.58 52.95 2d4i n ASN 103 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2d4i n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2d4i n GLY 104 N -0.30 1.97 0.00 7.41 0.00 -1.24 -1.74 105.19 111.29 2d4i n GLY 104 Ca 0.00 -0.37 0.15 0.00 0.00 0.00 0.00 46.02 45.80 2d4i n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2d4i n MET 105 N 11.65 0.85 0.04 1.61 2.81 -1.26 -3.41 117.12 129.40 2d4i n MET 105 Ca 0.00 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 55.94 2d4i n MET 105 Cb 0.00 -1.50 0.24 0.00 -0.71 0.00 0.00 33.22 31.25 2d4i n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2d4i n ASN 106 N -1.07 0.16 0.18 7.83 3.02 -0.71 -1.55 115.26 123.13 2d4i n ASN 106 Ca 0.21 0.56 0.17 0.00 -0.03 0.00 0.00 54.58 55.49 2d4i n ASN 106 Cb 0.14 -0.59 0.80 0.00 -0.61 0.00 0.00 39.78 39.52 2d4i n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2d4i h ALA 107 N 2.18 1.91 -2.63 5.41 0.00 -1.71 -3.38 119.26 121.05 2d4i h ALA 107 Ca 0.00 -0.01 -0.72 0.00 0.00 0.00 0.00 54.91 54.18 2d4i h ALA 107 Cb 0.12 0.02 -0.24 0.00 0.00 0.00 0.00 17.79 17.69 2d4i h ALA 107 CO 0.00 -0.33 -0.45 -1.58 0.00 0.00 0.00 179.25 176.89 2d4i s TRP 108 N -4.71 3.26 0.22 0.00 0.51 -0.60 -4.97 118.94 112.65 2d4i s TRP 108 Ca -0.05 -0.96 -0.08 0.00 -2.12 0.00 0.00 56.10 52.89 2d4i s TRP 108 Cb 0.16 -2.70 0.26 0.00 -0.81 0.00 0.00 33.47 30.38 2d4i s TRP 108 CO 0.58 -0.70 1.85 0.28 -0.51 0.00 0.00 176.95 178.45 2d4i h VAL 109 N 5.83 1.08 -0.05 4.03 2.07 -1.86 -1.22 116.25 126.12 2d4i h VAL 109 Ca -0.26 -0.32 -0.10 0.00 0.82 0.00 0.00 66.70 66.85 2d4i h VAL 109 Cb 1.11 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2d4i h VAL 109 CO 0.74 0.17 -0.41 0.00 0.02 0.00 0.00 177.57 178.08 2d4i h ALA 110 N 1.35 1.22 -0.28 1.67 0.00 -1.93 -0.30 119.26 120.99 2d4i h ALA 110 Ca 0.33 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2d4i h ALA 110 Cb 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2d4i h ALA 110 CO -0.14 0.56 0.05 2.35 0.00 0.00 0.00 179.25 182.07 2d4i h TRP 111 N 0.09 0.48 -0.68 0.00 7.01 -1.56 -0.84 115.95 120.45 2d4i h TRP 111 Ca 0.01 -0.06 -0.00 0.00 2.11 0.00 0.00 58.89 60.94 2d4i h TRP 111 Cb 0.78 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.67 2d4i h TRP 111 CO 0.01 0.55 0.41 -0.09 -2.79 0.00 0.00 178.44 176.52 2d4i h ARG 112 N 0.28 0.93 0.00 2.65 2.43 -0.92 0.78 114.38 120.53 2d4i h ARG 112 Ca 0.09 -0.09 -0.16 0.00 -0.81 0.00 0.00 59.98 59.01 2d4i h ARG 112 Cb 0.32 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 2d4i h ARG 112 CO 0.00 0.66 -0.77 -0.91 -1.51 0.00 0.00 179.97 177.45 2d4i h ASN 113 N 0.93 0.00 0.00 -3.80 2.35 -0.96 -3.36 115.58 110.74 2d4i h ASN 113 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 2d4i h ASN 113 Cb -0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.35 2d4i h ASN 113 CO -0.05 0.77 -0.49 0.54 -1.65 0.00 0.00 177.43 176.56 2d4i n ARG 114 N -3.39 3.13 -0.02 0.81 1.74 -0.33 -4.88 116.66 113.72 2d4i n ARG 114 Ca 0.00 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.05 2d4i n ARG 114 Cb 0.81 -0.72 -0.01 0.00 -1.02 0.00 0.00 32.46 31.52 2d4i n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2d4i n LYS 116 N -2.88 1.83 -0.43 0.00 4.81 -0.12 -1.82 118.16 119.56 2d4i n LYS 116 Ca -0.06 0.67 0.00 0.00 -0.87 0.00 0.00 58.31 58.04 2d4i n LYS 116 Cb 0.55 -2.43 0.00 0.00 0.02 0.00 0.00 35.03 33.17 2d4i n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2d4i n GLY 117 N 3.88 1.20 3.97 3.14 0.00 -1.26 -4.99 105.19 111.12 2d4i n GLY 117 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 2d4i n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2d4i s THR 118 N -3.08 2.33 -1.27 2.61 -4.23 -0.76 -4.99 115.64 106.26 2d4i s THR 118 Ca 0.00 -0.50 -0.19 0.00 -1.18 0.00 0.00 61.69 59.82 2d4i s THR 118 Cb 0.00 -2.84 0.03 0.00 1.34 0.00 0.00 72.50 71.03 2d4i s THR 118 CO 0.00 0.00 1.79 -0.62 -0.54 0.00 0.00 174.62 175.25 2d4i s ASP 119 N -4.59 6.36 0.09 3.99 2.15 -1.26 -4.79 116.67 118.62 2d4i s ASP 119 Ca 0.62 -2.25 0.20 0.00 0.43 0.00 0.00 52.55 51.56 2d4i s ASP 119 Cb -0.08 -2.58 0.84 0.00 -0.30 0.00 0.00 42.92 40.79 2d4i s ASP 119 CO 0.43 -1.68 1.64 1.33 -0.17 0.00 0.00 175.17 176.72 2d4i n VAL 120 N 6.77 0.75 0.28 1.11 0.24 -1.26 -2.72 118.33 123.50 2d4i n VAL 120 Ca 0.48 0.15 0.15 0.00 -2.04 0.00 0.00 64.34 63.08 2d4i n VAL 120 Cb 0.46 -0.92 0.81 0.00 -1.47 0.00 0.00 33.84 32.72 2d4i n VAL 120 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 2d4i h GLN 121 N 0.00 0.00 -0.49 7.34 4.15 -1.90 -1.72 115.11 122.49 2d4i h GLN 121 Ca 0.00 0.00 0.14 0.00 0.77 0.00 0.00 58.65 59.56 2d4i h GLN 121 Cb 0.37 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 2d4i h GLN 121 CO 0.00 0.08 0.38 0.00 -1.93 0.00 0.00 178.83 177.36 2d4i h ALA 122 N 1.92 2.40 0.00 3.38 0.00 -1.92 -1.38 119.26 123.67 2d4i h ALA 122 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2d4i h ALA 122 Cb 0.26 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2d4i h ALA 122 CO 0.01 -0.63 0.00 0.91 0.00 0.00 0.00 179.25 179.54 2d4i n TRP 123 N -4.24 0.56 -0.82 0.00 7.02 -0.65 -2.02 117.44 117.29 2d4i n TRP 123 Ca 0.09 0.22 0.08 0.00 -1.02 0.00 0.00 57.50 56.87 2d4i n TRP 123 Cb 0.59 -0.85 0.22 0.00 -2.42 0.00 0.00 31.31 28.85 2d4i n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 2d4i n ILE 124 N -2.01 1.98 -1.64 -0.99 -5.35 -0.52 -4.88 119.36 105.96 2d4i n ILE 124 Ca 0.03 -1.73 -0.48 0.00 -0.27 0.00 0.00 62.75 60.30 2d4i n ILE 124 Cb 0.22 -0.10 -0.04 0.00 -1.74 0.00 0.00 39.64 37.98 2d4i n ILE 124 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 2d4i n ARG 125 N -0.40 1.76 -0.66 6.28 0.63 -0.86 -2.10 116.66 121.32 2d4i n ARG 125 Ca 0.19 0.63 0.00 0.00 -0.92 0.00 0.00 57.85 57.75 2d4i n ARG 125 Cb 0.77 -2.32 0.00 0.00 0.45 0.00 0.00 32.46 31.36 2d4i n ARG 125 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2d4i n GLY 126 N 2.77 1.55 3.79 5.14 0.00 -1.26 -4.96 105.19 112.22 2d4i n GLY 126 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 2d4i n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d4i s ARG 128 N -0.75 3.31 0.00 0.00 0.52 -1.26 -5.11 118.95 115.66 2d4i s ARG 128 Ca 0.29 -1.76 0.05 0.00 -0.52 0.00 0.00 55.73 53.80 2d4i s ARG 128 Cb -0.19 -4.45 0.04 0.00 0.52 0.00 0.00 34.95 30.88 2d4i s ARG 128 CO 0.18 -1.50 0.67 1.28 0.02 0.00 0.00 175.30 175.95