#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1di5 s VAL 2 N 0.00 4.34 0.36 3.15 1.01 -1.26 -1.21 120.40 126.79 1di5 s VAL 2 Ca 0.00 -0.34 -0.22 0.00 0.00 0.00 0.00 61.98 61.42 1di5 s VAL 2 Cb 0.00 -3.12 -0.10 0.00 0.00 0.00 0.00 36.38 33.15 1di5 s VAL 2 CO 0.00 0.21 0.90 -0.36 0.00 0.00 0.00 175.10 175.85 1di5 s PHE 3 N 1.59 3.48 0.53 5.22 0.08 0.27 -5.00 117.98 124.16 1di5 s PHE 3 Ca 0.05 1.61 -0.09 0.00 0.12 0.00 0.00 56.93 58.62 1di5 s PHE 3 Cb -0.16 -2.82 -0.05 0.00 -0.57 0.00 0.00 43.02 39.42 1di5 s PHE 3 CO 0.04 0.07 0.90 -2.00 -0.10 0.00 0.00 175.22 174.13 1di5 s GLU 4 N -2.65 3.63 0.03 0.44 -6.30 -1.26 -4.81 118.70 107.78 1di5 s GLU 4 Ca 0.55 0.53 -0.12 0.00 -2.50 0.00 0.00 54.97 53.43 1di5 s GLU 4 Cb -0.13 -2.23 -0.05 0.00 0.00 0.00 0.00 34.13 31.71 1di5 s GLU 4 CO 0.18 -0.34 1.20 -0.09 0.02 0.00 0.00 175.26 176.22 1di5 h ARG 5 N 0.19 -0.28 -0.04 4.30 2.43 -1.97 -2.21 114.38 116.80 1di5 h ARG 5 Ca -0.46 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 58.70 1di5 h ARG 5 Cb 1.19 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 1di5 h ARG 5 CO 0.62 -0.19 -0.11 0.00 -1.51 0.00 0.00 179.97 178.79 1di5 h GLU 7 N 0.05 1.11 -0.31 0.00 4.81 -1.93 -1.87 114.58 116.44 1di5 h GLU 7 Ca 0.01 -0.19 -0.16 0.00 -0.13 0.00 0.00 59.36 58.89 1di5 h GLU 7 Cb 0.23 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 1di5 h GLU 7 CO 0.01 0.90 -0.42 1.25 -0.73 0.00 0.00 179.01 180.02 1di5 h LEU 8 N 1.07 0.92 -0.56 1.64 5.85 -0.78 -1.32 115.31 122.13 1di5 h LEU 8 Ca 0.25 -0.50 0.01 0.00 0.84 0.00 0.00 57.88 58.48 1di5 h LEU 8 Cb 0.19 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1di5 h LEU 8 CO -0.02 1.24 0.36 0.00 -0.34 0.00 0.00 178.44 179.68 1di5 h ALA 9 N 0.71 0.72 -0.49 1.25 0.00 -1.12 0.34 119.26 120.67 1di5 h ALA 9 Ca 0.04 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1di5 h ALA 9 Cb 1.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1di5 h ALA 9 CO 0.10 0.13 -0.17 0.00 0.00 0.00 0.00 179.25 179.30 1di5 h ARG 10 N 0.74 0.98 -0.52 0.00 3.08 -1.30 -0.08 114.38 117.27 1di5 h ARG 10 Ca 0.21 -0.40 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 1di5 h ARG 10 Cb -0.05 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 1di5 h ARG 10 CO -0.06 1.08 0.28 1.15 -1.07 0.00 0.00 179.97 181.34 1di5 h THR 11 N 0.84 1.18 -0.35 2.04 2.02 -0.71 -0.90 112.91 117.02 1di5 h THR 11 Ca 0.12 -0.48 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 1di5 h THR 11 Cb 0.74 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1di5 h THR 11 CO 0.06 0.20 0.09 -0.07 0.37 0.00 0.00 175.52 176.17 1di5 h LEU 12 N 0.70 0.53 -0.67 2.58 3.38 -0.16 -2.12 115.31 119.53 1di5 h LEU 12 Ca 0.18 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1di5 h LEU 12 Cb 0.06 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1di5 h LEU 12 CO -0.03 0.61 0.42 0.50 0.09 0.00 0.00 178.44 180.03 1di5 h LYS 13 N 0.41 0.79 -0.05 1.13 3.64 -0.77 -1.88 116.57 119.84 1di5 h LYS 13 Ca 0.11 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 1di5 h LYS 13 Cb 0.29 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1di5 h LYS 13 CO -0.00 0.52 -0.19 0.00 -2.27 0.00 0.00 179.45 177.52 1di5 h ARG 14 N 0.82 0.08 -0.11 1.90 3.08 -0.88 -1.74 114.38 117.53 1di5 h ARG 14 Ca 0.27 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1di5 h ARG 14 Cb 0.02 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1di5 h ARG 14 CO -0.11 0.27 0.00 1.28 -1.07 0.00 0.00 179.97 180.34 1di5 n LEU 15 N -4.28 0.77 0.00 3.04 4.77 -0.75 -4.92 117.00 115.63 1di5 n LEU 15 Ca -0.02 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 1di5 n LEU 15 Cb 0.27 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1di5 n LEU 15 CO 0.37 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1di5 n GLY 16 N 0.86 0.49 0.10 -0.72 0.00 -0.65 -4.99 105.19 100.29 1di5 n GLY 16 Ca 0.11 -0.90 0.03 0.00 0.00 0.00 0.00 46.02 45.26 1di5 n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1di5 h MET 17 N 0.00 0.00 -5.79 1.61 2.86 -1.63 -3.40 114.93 108.58 1di5 h MET 17 Ca 0.00 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 57.12 1di5 h MET 17 Cb 0.37 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.04 1di5 h MET 17 CO 0.00 0.22 1.57 0.34 1.06 0.00 0.00 176.91 180.10 1di5 s ASP 18 N -5.72 4.90 -0.05 1.22 -1.08 -1.26 -1.33 116.67 113.34 1di5 s ASP 18 Ca -0.02 1.46 0.00 0.00 -0.52 0.00 0.00 52.55 53.47 1di5 s ASP 18 Cb 0.09 -2.51 0.00 0.00 -1.46 0.00 0.00 42.92 39.04 1di5 s ASP 18 CO 0.80 -2.46 0.00 0.61 0.52 0.00 0.00 175.17 174.64 1di5 n GLY 19 N 5.90 0.45 3.64 2.66 0.00 0.81 -4.90 105.19 113.75 1di5 n GLY 19 Ca 0.34 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1di5 n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1di5 s TYR 20 N -2.00 1.52 -1.55 1.61 5.04 -0.44 -2.04 117.35 119.49 1di5 s TYR 20 Ca 0.00 0.11 -0.13 0.00 -2.44 0.00 0.00 57.07 54.61 1di5 s TYR 20 Cb 0.00 -4.07 0.09 0.00 0.35 0.00 0.00 41.96 38.33 1di5 s TYR 20 CO 0.00 -4.38 0.88 0.54 -1.34 0.00 0.00 175.55 171.26 1di5 n ARG 21 N 7.85 -4.82 -0.30 4.97 1.74 -1.26 -1.87 116.66 122.97 1di5 n ARG 21 Ca 0.22 0.54 0.00 0.00 -0.77 0.00 0.00 57.85 57.84 1di5 n ARG 21 Cb 0.43 -5.32 0.00 0.00 -1.02 0.00 0.00 32.46 26.56 1di5 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1di5 n GLY 22 N -1.64 1.76 3.59 -0.13 0.00 -0.86 -4.98 105.19 102.94 1di5 n GLY 22 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1di5 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1di5 s ILE 23 N -3.08 4.81 0.77 -0.61 1.01 -0.78 -4.86 121.20 118.46 1di5 s ILE 23 Ca 0.00 0.94 -0.11 0.00 0.00 0.00 0.00 60.65 61.48 1di5 s ILE 23 Cb 0.00 -4.14 0.05 0.00 0.01 0.00 0.00 42.46 38.39 1di5 s ILE 23 CO 0.00 -0.31 1.08 -0.94 0.00 0.00 0.00 174.94 174.77 1di5 s SER 24 N 1.73 4.65 0.25 3.58 1.04 -1.26 -0.14 113.70 123.55 1di5 s SER 24 Ca 0.30 1.60 -0.06 0.00 0.48 0.00 0.00 55.95 58.26 1di5 s SER 24 Cb -0.14 -2.36 0.25 0.00 0.10 0.00 0.00 66.02 63.87 1di5 s SER 24 CO 0.14 -1.91 1.93 0.25 0.98 0.00 0.00 173.24 174.63 1di5 h LEU 25 N -1.04 1.14 -1.15 2.42 5.85 -1.91 -2.25 115.31 118.37 1di5 h LEU 25 Ca -0.45 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.32 1di5 h LEU 25 Cb 1.24 -0.29 -0.06 0.00 0.37 0.00 0.00 40.66 41.92 1di5 h LEU 25 CO 0.55 0.83 0.59 0.00 -0.34 0.00 0.00 178.44 180.07 1di5 h ALA 26 N 1.36 1.56 -0.15 1.25 0.00 -1.92 -0.37 119.26 120.99 1di5 h ALA 26 Ca 0.36 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 1di5 h ALA 26 Cb -0.15 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.39 1di5 h ALA 26 CO -0.08 0.29 -0.05 -0.91 0.00 0.00 0.00 179.25 178.50 1di5 h ASN 27 N 0.98 0.31 -0.74 0.00 2.35 -1.74 -1.32 115.58 115.41 1di5 h ASN 27 Ca 0.40 -0.38 0.03 0.00 -0.55 0.00 0.00 56.30 55.80 1di5 h ASN 27 Cb 0.29 -0.09 -0.05 0.00 0.05 0.00 0.00 38.32 38.53 1di5 h ASN 27 CO -0.16 0.62 0.47 -0.50 -1.65 0.00 0.00 177.43 176.21 1di5 h TRP 28 N -0.00 0.88 -0.57 1.19 4.06 -1.14 -1.21 115.95 119.15 1di5 h TRP 28 Ca 0.04 0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.98 1di5 h TRP 28 Cb 0.49 -0.29 -0.03 0.00 -1.00 0.00 0.00 29.16 28.34 1di5 h TRP 28 CO 0.06 0.50 0.25 0.52 -3.56 0.00 0.00 178.44 176.20 1di5 h MET 29 N 0.91 0.84 -0.83 0.49 2.86 -1.05 -1.03 114.93 117.12 1di5 h MET 29 Ca 0.30 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.77 1di5 h MET 29 Cb 0.02 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.50 1di5 h MET 29 CO -0.11 0.71 0.42 0.00 1.06 0.00 0.00 176.91 178.98 1di5 h LEU 31 N 1.18 -0.59 -1.65 0.00 5.85 -0.81 -2.40 115.31 116.89 1di5 h LEU 31 Ca 0.29 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.99 1di5 h LEU 31 Cb 0.09 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1di5 h LEU 31 CO -0.04 -0.33 0.26 0.00 -0.34 0.00 0.00 178.44 177.99 1di5 h ALA 32 N -0.41 1.79 0.37 1.25 0.00 -1.10 0.12 119.26 121.28 1di5 h ALA 32 Ca -0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1di5 h ALA 32 Cb 0.59 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1di5 h ALA 32 CO 0.12 0.18 -0.18 -0.22 0.00 0.00 0.00 179.25 179.15 1di5 h LYS 33 N 0.47 -0.48 -0.13 0.00 3.11 -1.17 -1.39 116.57 116.99 1di5 h LYS 33 Ca 0.15 0.03 -0.14 0.00 -2.81 0.00 0.00 60.65 57.89 1di5 h LYS 33 Cb 0.03 0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.36 1di5 h LYS 33 CO -0.04 -0.19 -0.52 -1.49 -2.81 0.00 0.00 179.45 174.41 1di5 h TRP 34 N -0.76 0.45 -0.07 1.91 4.06 -1.16 -0.68 115.95 119.70 1di5 h TRP 34 Ca -0.05 -0.15 -0.04 0.00 2.06 0.00 0.00 58.89 60.71 1di5 h TRP 34 Cb 0.52 -0.09 -0.00 0.00 -1.00 0.00 0.00 29.16 28.59 1di5 h TRP 34 CO 0.01 0.81 -0.11 0.93 -3.56 0.00 0.00 178.44 176.52 1di5 h GLU 35 N 0.28 0.20 0.00 0.49 4.39 -0.79 -3.42 114.58 115.73 1di5 h GLU 35 Ca 0.01 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1di5 h GLU 35 Cb 1.01 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 1di5 h GLU 35 CO 0.09 0.68 -0.04 -1.13 -1.16 0.00 0.00 179.01 177.45 1di5 n SER 36 N -4.65 0.18 -0.74 1.42 3.41 -0.59 -4.86 113.62 107.79 1di5 n SER 36 Ca -0.08 -0.16 -0.05 0.00 -0.26 0.00 0.00 58.87 58.32 1di5 n SER 36 Cb 0.34 0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 1di5 n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1di5 n GLY 37 N 0.42 0.27 2.34 5.00 0.00 -0.26 -3.06 105.19 109.89 1di5 n GLY 37 Ca 0.00 -0.62 -0.16 0.00 0.00 0.00 0.00 46.02 45.23 1di5 n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1di5 n TYR 38 N -3.78 -0.66 -3.67 1.61 0.53 -1.10 -4.74 117.16 105.34 1di5 n TYR 38 Ca -0.04 0.00 -0.39 0.00 -1.02 0.00 0.00 57.90 56.44 1di5 n TYR 38 Cb 0.54 -3.26 -0.12 0.00 -1.03 0.00 0.00 39.34 35.47 1di5 n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1di5 s ASN 39 N -2.34 5.53 0.51 7.72 2.47 -1.17 -0.56 114.94 127.09 1di5 s ASN 39 Ca 0.00 -1.11 0.33 0.00 0.42 0.00 0.00 52.86 52.50 1di5 s ASN 39 Cb 0.00 -1.95 1.52 0.00 -1.45 0.00 0.00 41.25 39.37 1di5 s ASN 39 CO 0.00 -0.37 2.00 0.71 -3.72 0.00 0.00 177.10 175.71 1di5 h THR 40 N 6.04 0.00 -0.01 -5.21 1.35 -1.48 -2.84 112.91 110.75 1di5 h THR 40 Ca -0.24 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1di5 h THR 40 Cb 1.09 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 1di5 h THR 40 CO 0.65 0.00 -0.10 0.54 -0.25 0.00 0.00 175.52 176.35 1di5 n ARG 41 N -2.87 1.30 -1.97 4.72 1.74 -1.26 -4.19 116.66 114.13 1di5 n ARG 41 Ca -0.00 -0.74 -0.41 0.00 -0.77 0.00 0.00 57.85 55.92 1di5 n ARG 41 Cb 0.22 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.16 1di5 n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1di5 s ALA 42 N -2.21 3.60 0.02 7.54 0.00 -1.08 -4.83 121.76 124.80 1di5 s ALA 42 Ca 0.33 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.67 1di5 s ALA 42 Cb 0.20 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 1di5 s ALA 42 CO 0.41 -0.80 -0.03 0.95 0.00 0.00 0.00 175.76 176.29 1di5 s THR 43 N -0.50 0.12 -0.16 0.00 -4.23 -1.26 0.01 115.64 109.62 1di5 s THR 43 Ca 0.56 -0.81 -0.04 0.00 -1.18 0.00 0.00 61.69 60.22 1di5 s THR 43 Cb -0.43 -0.24 0.08 0.00 1.34 0.00 0.00 72.50 73.24 1di5 s THR 43 CO 0.50 -0.43 0.21 0.21 -0.54 0.00 0.00 174.62 174.56 1di5 s ASN 44 N -1.29 1.16 -0.06 3.99 2.47 -0.58 -4.95 114.94 115.69 1di5 s ASN 44 Ca -0.14 -0.01 -0.26 0.00 0.42 0.00 0.00 52.86 52.86 1di5 s ASN 44 Cb -0.09 0.36 -0.03 0.00 -1.45 0.00 0.00 41.25 40.04 1di5 s ASN 44 CO -0.01 -0.30 0.84 -0.47 -3.72 0.00 0.00 177.10 173.44 1di5 s TYR 45 N 2.32 3.58 -0.79 0.43 6.14 -1.26 0.12 117.35 127.89 1di5 s TYR 45 Ca 0.05 1.43 -0.12 0.00 0.64 0.00 0.00 57.07 59.07 1di5 s TYR 45 Cb -0.14 -2.97 0.21 0.00 0.42 0.00 0.00 41.96 39.47 1di5 s TYR 45 CO -0.10 -0.02 0.71 -0.80 0.64 0.00 0.00 175.55 175.98 1di5 s ASN 46 N 0.95 6.51 0.33 4.32 0.01 0.10 -4.93 114.94 122.23 1di5 s ASN 46 Ca 0.44 -2.69 0.09 0.00 -0.71 0.00 0.00 52.86 49.98 1di5 s ASN 46 Cb -0.19 -2.15 0.86 0.00 0.41 0.00 0.00 41.25 40.18 1di5 s ASN 46 CO 0.21 -0.55 1.76 0.00 -1.51 0.00 0.00 177.10 177.01 1di5 h ALA 47 N 7.69 1.81 -0.11 0.60 0.00 -1.95 -0.12 119.26 127.18 1di5 h ALA 47 Ca 0.08 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1di5 h ALA 47 Cb 1.03 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 1di5 h ALA 47 CO 0.75 -0.23 -0.24 0.78 0.00 0.00 0.00 179.25 180.31 1di5 h GLY 48 N 0.63 -0.28 -1.47 0.00 0.00 -1.94 -3.11 103.07 96.91 1di5 h GLY 48 Ca 0.60 0.30 0.00 0.00 0.00 0.00 0.00 47.33 48.23 1di5 h GLY 48 CO -0.40 -0.20 0.00 2.09 0.00 0.00 0.00 176.54 178.03 1di5 n ASP 49 N -5.37 3.04 -0.97 0.19 5.75 -1.12 -4.98 116.55 113.09 1di5 n ASP 49 Ca -0.03 -1.98 -0.13 0.00 -0.01 0.00 0.00 54.79 52.64 1di5 n ASP 49 Cb 0.28 -0.26 -0.05 0.00 -1.03 0.00 0.00 41.12 40.06 1di5 n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1di5 n ARG 50 N 0.68 -1.01 -2.97 0.11 1.74 -0.07 -4.77 116.66 110.38 1di5 n ARG 50 Ca 0.13 0.93 -0.19 0.00 -0.77 0.00 0.00 57.85 57.96 1di5 n ARG 50 Cb 0.45 -5.01 0.04 0.00 -1.02 0.00 0.00 32.46 26.91 1di5 n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1di5 s SER 51 N -2.77 5.37 0.01 0.55 1.04 -1.16 -4.45 113.70 112.28 1di5 s SER 51 Ca 0.00 -0.54 -0.00 0.00 0.48 0.00 0.00 55.95 55.89 1di5 s SER 51 Cb 0.00 -0.30 -0.01 0.00 0.10 0.00 0.00 66.02 65.81 1di5 s SER 51 CO 0.00 -1.05 -0.01 -0.89 0.98 0.00 0.00 173.24 172.26 1di5 s THR 52 N -2.53 0.05 -0.15 2.02 2.01 -1.26 0.03 115.64 115.80 1di5 s THR 52 Ca 0.58 -0.40 -0.11 0.00 0.31 0.00 0.00 61.69 62.07 1di5 s THR 52 Cb -0.08 -0.12 -0.05 0.00 0.01 0.00 0.00 72.50 72.26 1di5 s THR 52 CO 0.36 -0.22 0.20 -1.81 -0.69 0.00 0.00 174.62 172.46 1di5 s ASP 53 N -0.65 6.38 -0.05 3.53 1.01 0.12 -1.03 116.67 125.97 1di5 s ASP 53 Ca -0.07 0.44 0.06 0.00 0.71 0.00 0.00 52.55 53.69 1di5 s ASP 53 Cb -0.04 -2.12 -0.01 0.00 1.01 0.00 0.00 42.92 41.75 1di5 s ASP 53 CO -0.00 0.24 -0.23 -0.31 0.21 0.00 0.00 175.17 175.08 1di5 s TYR 54 N -0.14 2.22 0.00 4.23 2.02 0.98 -1.52 117.35 125.14 1di5 s TYR 54 Ca 0.14 -0.66 0.00 0.00 -0.37 0.00 0.00 57.07 56.18 1di5 s TYR 54 Cb -0.12 -1.47 0.00 0.00 -0.40 0.00 0.00 41.96 39.97 1di5 s TYR 54 CO 0.03 -0.20 0.00 0.41 -1.57 0.00 0.00 175.55 174.21 1di5 n GLY 55 N 3.01 -1.29 0.25 0.71 0.00 0.10 -1.60 105.19 106.36 1di5 n GLY 55 Ca -0.18 -1.26 0.03 0.00 0.00 0.00 0.00 46.02 44.61 1di5 n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1di5 h ILE 56 N 0.00 1.16 -0.09 -0.61 2.10 -1.72 -1.73 117.51 116.62 1di5 h ILE 56 Ca 0.00 -0.67 0.00 0.00 1.08 0.00 0.00 64.86 65.27 1di5 h ILE 56 Cb 0.00 1.12 0.00 0.00 -1.09 0.00 0.00 36.82 36.85 1di5 h ILE 56 CO 0.00 0.21 0.00 0.49 -1.08 0.00 0.00 178.15 177.77 1di5 n PHE 57 N -4.31 0.08 -3.72 2.19 0.99 -1.26 -3.88 117.46 107.55 1di5 n PHE 57 Ca -0.00 -0.05 -0.30 0.00 -0.00 0.00 0.00 57.45 57.10 1di5 n PHE 57 Cb 0.24 -0.00 0.03 0.00 -1.00 0.00 0.00 39.48 38.75 1di5 n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1di5 n GLN 58 N 1.20 -1.74 -2.63 -1.08 1.13 -0.65 -4.91 117.38 108.70 1di5 n GLN 58 Ca 0.13 0.46 -0.41 0.00 -1.94 0.00 0.00 57.00 55.24 1di5 n GLN 58 Cb 0.53 -4.25 -0.04 0.00 0.11 0.00 0.00 30.24 26.59 1di5 n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1di5 s ILE 59 N -3.55 4.29 0.15 5.09 1.01 -0.63 -4.34 121.20 123.23 1di5 s ILE 59 Ca 0.38 1.86 -0.27 0.00 0.00 0.00 0.00 60.65 62.62 1di5 s ILE 59 Cb -0.14 -4.19 -0.07 0.00 0.01 0.00 0.00 42.46 38.07 1di5 s ILE 59 CO 0.86 0.27 0.84 0.21 0.00 0.00 0.00 174.94 177.11 1di5 s ASN 60 N 0.19 7.43 0.52 3.58 3.84 -1.26 -0.01 114.94 129.23 1di5 s ASN 60 Ca 0.50 1.70 0.29 0.00 0.21 0.00 0.00 52.86 55.55 1di5 s ASN 60 Cb -0.26 -2.53 1.43 0.00 -0.55 0.00 0.00 41.25 39.34 1di5 s ASN 60 CO 0.31 0.12 2.05 0.77 -2.79 0.00 0.00 177.10 177.56 1di5 h SER 61 N 4.73 0.00 -0.54 -4.21 4.64 -1.34 -2.71 113.55 114.12 1di5 h SER 61 Ca -0.45 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.84 1di5 h SER 61 Cb 1.21 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 1di5 h SER 61 CO 0.68 0.12 0.25 -0.09 -0.87 0.00 0.00 176.83 176.91 1di5 h ARG 62 N 0.00 0.83 0.00 4.77 2.43 -1.84 -3.39 114.38 117.18 1di5 h ARG 62 Ca -0.00 -0.12 -0.04 0.00 -0.81 0.00 0.00 59.98 59.01 1di5 h ARG 62 Cb 0.39 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1di5 h ARG 62 CO 0.02 0.67 -1.15 0.66 -1.51 0.00 0.00 179.97 178.65 1di5 n TYR 63 N -4.34 0.00 -0.06 2.20 4.02 -1.19 -0.62 117.16 117.18 1di5 n TYR 63 Ca 0.05 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.91 1di5 n TYR 63 Cb 0.15 -0.11 -0.13 0.00 -0.02 0.00 0.00 39.34 39.23 1di5 n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1di5 n TRP 64 N -2.22 0.00 -4.06 -0.72 7.02 -1.03 -0.97 117.44 115.46 1di5 n TRP 64 Ca -0.04 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.37 1di5 n TRP 64 Cb 0.57 -0.67 -0.10 0.00 -2.42 0.00 0.00 31.31 28.69 1di5 n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1di5 s ASN 66 N -2.79 5.70 0.00 0.00 2.47 -0.14 -4.60 114.94 115.58 1di5 s ASN 66 Ca 0.05 0.08 0.00 0.00 0.42 0.00 0.00 52.86 53.41 1di5 s ASN 66 Cb 0.06 -1.99 0.00 0.00 -1.45 0.00 0.00 41.25 37.87 1di5 s ASN 66 CO -0.09 0.15 0.58 -0.90 -3.72 0.00 0.00 177.10 173.11 1di5 n ASP 67 N 3.69 1.09 0.00 -4.21 5.68 -1.26 -1.27 116.55 120.26 1di5 n ASP 67 Ca -0.16 -1.28 0.00 0.00 -0.50 0.00 0.00 54.79 52.85 1di5 n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1di5 n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1di5 n GLY 68 N -0.14 0.13 0.05 6.12 0.00 -1.26 -4.79 105.19 105.30 1di5 n GLY 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1di5 n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1di5 n LYS 69 N -0.17 0.75 -3.74 1.61 2.85 -1.26 -5.01 118.16 113.19 1di5 n LYS 69 Ca 0.00 -0.86 -0.37 0.00 -1.05 0.00 0.00 58.31 56.03 1di5 n LYS 69 Cb 0.34 -0.65 -0.12 0.00 -0.65 0.00 0.00 35.03 33.94 1di5 n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1di5 s THR 70 N -0.34 4.33 0.16 0.58 2.01 -1.26 -4.92 115.64 116.20 1di5 s THR 70 Ca 0.01 -0.24 -0.34 0.00 0.31 0.00 0.00 61.69 61.44 1di5 s THR 70 Cb 0.01 -3.06 -0.14 0.00 0.01 0.00 0.00 72.50 69.32 1di5 s THR 70 CO 0.00 0.29 1.59 -2.65 -0.69 0.00 0.00 174.62 173.15 1di5 n PRO 71 N 4.93 2.20 -1.86 4.92 -0.02 -1.26 -2.86 135.00 141.05 1di5 n PRO 71 Ca -0.16 0.79 -0.13 0.00 -2.02 0.00 0.00 63.50 61.98 1di5 n PRO 71 Cb 0.51 -2.57 -0.03 0.00 -0.02 0.00 0.00 33.50 31.39 1di5 n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1di5 n GLY 72 N 3.45 0.45 3.86 -1.23 0.00 -1.26 -4.95 105.19 105.52 1di5 n GLY 72 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1di5 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1di5 s ALA 73 N -2.35 2.76 0.48 4.61 0.00 -1.13 -5.06 121.76 121.06 1di5 s ALA 73 Ca 0.00 -0.28 0.02 0.00 0.00 0.00 0.00 51.96 51.71 1di5 s ALA 73 Cb 0.00 -3.05 -0.03 0.00 0.00 0.00 0.00 23.12 20.04 1di5 s ALA 73 CO 0.00 -1.24 0.01 0.14 0.00 0.00 0.00 175.76 174.68 1di5 s VAL 74 N -3.29 1.28 -0.42 0.00 -7.23 0.21 -5.02 120.40 105.93 1di5 s VAL 74 Ca 0.58 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.84 1di5 s VAL 74 Cb -0.12 -2.35 0.26 0.00 0.56 0.00 0.00 36.38 34.74 1di5 s VAL 74 CO 0.53 0.00 0.57 -3.20 -0.31 0.00 0.00 175.10 172.69 1di5 n ASN 75 N -1.20 0.72 0.07 4.85 5.15 -1.24 -4.09 115.26 119.52 1di5 n ASN 75 Ca -0.15 -2.82 0.04 0.00 -0.60 0.00 0.00 54.58 51.04 1di5 n ASN 75 Cb 0.67 -0.64 0.44 0.00 -0.53 0.00 0.00 39.78 39.72 1di5 n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1di5 h ALA 76 N 3.92 1.68 -0.00 5.20 0.00 -1.12 -0.81 119.26 128.13 1di5 h ALA 76 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1di5 h ALA 76 Cb 0.86 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1di5 h ALA 76 CO 0.51 0.26 -0.16 0.00 0.00 0.00 0.00 179.25 179.87 1di5 n HIS 78 N -1.43 -2.13 -3.83 0.00 -0.00 -0.31 -5.00 115.22 102.52 1di5 n HIS 78 Ca 0.08 0.91 -0.10 0.00 -0.00 0.00 0.00 57.72 58.61 1di5 n HIS 78 Cb 0.33 -4.88 -0.08 0.00 -0.00 0.00 0.00 29.99 25.35 1di5 n HIS 78 CO 0.00 0.00 0.00 -0.48 -0.00 0.00 0.00 176.34 175.86 1di5 s LEU 79 N -6.49 1.30 0.37 2.41 0.05 -1.26 -5.06 118.68 110.00 1di5 s LEU 79 Ca 0.02 -0.39 -0.26 0.00 0.05 0.00 0.00 54.13 53.56 1di5 s LEU 79 Cb -0.01 1.04 -0.09 0.00 -2.05 0.00 0.00 46.19 45.08 1di5 s LEU 79 CO 0.75 -0.60 1.15 -0.55 -0.55 0.00 0.00 176.35 176.56 1di5 s SER 80 N -2.22 6.70 0.63 1.48 0.15 -1.26 -0.97 113.70 118.22 1di5 s SER 80 Ca -0.03 2.33 0.39 0.00 0.70 0.00 0.00 55.95 59.34 1di5 s SER 80 Cb -0.00 -2.62 2.13 0.00 -1.71 0.00 0.00 66.02 63.82 1di5 s SER 80 CO -0.05 -0.55 2.29 0.00 1.20 0.00 0.00 173.24 176.13 1di5 h SER 82 N 0.00 0.70 -0.03 0.00 0.87 -1.90 -0.80 113.55 112.40 1di5 h SER 82 Ca -0.00 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.58 1di5 h SER 82 Cb 0.09 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1di5 h SER 82 CO 0.00 0.44 0.03 0.00 -0.53 0.00 0.00 176.83 176.78 1di5 h ALA 83 N 1.59 1.52 -0.38 6.23 0.00 -1.52 -0.79 119.26 125.92 1di5 h ALA 83 Ca 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1di5 h ALA 83 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1di5 h ALA 83 CO -0.12 -0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.36 1di5 n LEU 84 N -3.77 2.15 -0.16 0.00 4.77 -0.30 -3.71 117.00 115.98 1di5 n LEU 84 Ca -0.02 -1.08 0.02 0.00 -0.03 0.00 0.00 56.01 54.90 1di5 n LEU 84 Cb 0.12 -0.28 0.04 0.00 -2.33 0.00 0.00 43.42 40.97 1di5 n LEU 84 CO 0.27 0.50 0.54 0.18 -1.33 0.00 0.00 177.39 177.55 1di5 n LEU 85 N 0.59 2.25 -4.93 2.23 4.77 -0.30 -3.35 117.00 118.26 1di5 n LEU 85 Ca 0.13 -2.08 -0.25 0.00 -0.03 0.00 0.00 56.01 53.78 1di5 n LEU 85 Cb 0.35 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.39 1di5 n LEU 85 CO 0.09 0.56 0.46 0.00 -1.33 0.00 0.00 177.39 177.17 1di5 s GLN 86 N -1.14 2.97 0.28 3.23 -2.07 -1.24 -4.45 119.66 117.24 1di5 s GLN 86 Ca 0.07 -0.15 0.03 0.00 -1.82 0.00 0.00 55.36 53.49 1di5 s GLN 86 Cb 0.05 -2.36 0.40 0.00 -1.09 0.00 0.00 33.01 30.01 1di5 s GLN 86 CO 0.04 -0.57 1.71 -0.44 -1.32 0.00 0.00 175.29 174.71 1di5 h ASP 87 N 0.00 0.46 -3.34 12.60 5.19 -1.93 -3.40 116.42 126.00 1di5 h ASP 87 Ca -0.46 -0.16 -0.59 0.00 -0.62 0.00 0.00 57.03 55.20 1di5 h ASP 87 Cb 1.25 -0.13 -0.08 0.00 0.18 0.00 0.00 39.33 40.56 1di5 h ASP 87 CO 0.60 0.73 0.33 0.21 -3.12 0.00 0.00 179.24 177.99 1di5 s ASN 88 N -6.83 6.85 -0.05 6.45 3.84 -1.26 -4.93 114.94 119.02 1di5 s ASN 88 Ca -0.07 1.05 0.13 0.00 0.21 0.00 0.00 52.86 54.18 1di5 s ASN 88 Cb 0.14 -2.42 0.45 0.00 -0.55 0.00 0.00 41.25 38.87 1di5 s ASN 88 CO 0.79 -0.38 1.33 2.30 -2.79 0.00 0.00 177.10 178.34 1di5 n ILE 89 N 4.82 1.02 -0.24 -5.21 -5.35 -1.26 -4.50 119.36 108.64 1di5 n ILE 89 Ca 0.03 -0.72 0.01 0.00 -0.27 0.00 0.00 62.75 61.80 1di5 n ILE 89 Cb 0.49 0.08 0.13 0.00 -1.74 0.00 0.00 39.64 38.60 1di5 n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1di5 h ALA 90 N 3.66 0.98 -0.51 -1.28 0.00 -1.95 -0.37 119.26 119.79 1di5 h ALA 90 Ca 0.00 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1di5 h ALA 90 Cb 0.91 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1di5 h ALA 90 CO 0.11 -0.02 -0.08 -0.44 0.00 0.00 0.00 179.25 178.81 1di5 h ASP 91 N 0.62 0.95 -0.77 0.00 3.45 -1.88 -1.18 116.42 117.62 1di5 h ASP 91 Ca 0.34 -0.34 -0.02 0.00 0.43 0.00 0.00 57.03 57.44 1di5 h ASP 91 Cb 0.34 -0.26 -0.04 0.00 -0.56 0.00 0.00 39.33 38.81 1di5 h ASP 91 CO -0.25 1.07 0.39 0.00 -1.57 0.00 0.00 179.24 178.88 1di5 h ALA 92 N 0.91 1.22 -0.24 3.45 0.00 -1.64 -0.88 119.26 122.07 1di5 h ALA 92 Ca 0.13 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1di5 h ALA 92 Cb 0.63 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1di5 h ALA 92 CO 0.04 0.61 -0.04 0.28 0.00 0.00 0.00 179.25 180.13 1di5 h VAL 93 N 1.10 1.28 -0.12 0.00 2.07 -0.92 0.48 116.25 120.13 1di5 h VAL 93 Ca 0.27 -1.03 -0.07 0.00 0.82 0.00 0.00 66.70 66.70 1di5 h VAL 93 Cb 0.08 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1di5 h VAL 93 CO -0.04 0.32 -0.23 0.00 0.02 0.00 0.00 177.57 177.64 1di5 h ALA 94 N 0.77 1.39 0.04 1.67 0.00 -0.97 -1.53 119.26 120.62 1di5 h ALA 94 Ca 0.06 -0.28 -0.23 0.00 0.00 0.00 0.00 54.91 54.47 1di5 h ALA 94 Cb 0.50 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1di5 h ALA 94 CO 0.02 0.43 -1.06 0.00 0.00 0.00 0.00 179.25 178.64 1di5 h ALA 96 N 0.87 1.13 -0.40 0.00 0.00 0.42 -1.18 119.26 120.11 1di5 h ALA 96 Ca -0.05 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.38 1di5 h ALA 96 Cb 1.79 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 1di5 h ALA 96 CO 0.15 0.56 -0.18 0.87 0.00 0.00 0.00 179.25 180.65 1di5 h LYS 97 N 0.30 0.77 -0.37 0.00 1.57 -1.28 -2.42 116.57 115.13 1di5 h LYS 97 Ca 0.04 -0.29 -0.12 0.00 -1.87 0.00 0.00 60.65 58.41 1di5 h LYS 97 Cb 0.72 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1di5 h LYS 97 CO 0.06 0.90 -0.23 -0.09 -0.57 0.00 0.00 179.45 179.52 1di5 h ARG 98 N 0.68 0.80 -0.43 3.15 1.12 -1.31 0.99 114.38 119.39 1di5 h ARG 98 Ca 0.10 -0.37 0.06 0.00 -1.11 0.00 0.00 59.98 58.66 1di5 h ARG 98 Cb 0.68 -0.01 -0.06 0.00 -0.01 0.00 0.00 29.97 30.58 1di5 h ARG 98 CO 0.05 1.00 0.11 0.28 -3.11 0.00 0.00 179.97 178.30 1di5 h VAL 99 N 0.60 0.80 0.00 0.20 2.07 -1.06 -2.27 116.25 116.59 1di5 h VAL 99 Ca 0.08 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1di5 h VAL 99 Cb 0.79 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1di5 h VAL 99 CO 0.06 0.05 -0.08 1.33 0.02 0.00 0.00 177.57 178.95 1di5 n VAL 100 N -5.07 0.41 -0.13 2.57 0.24 -0.93 -4.17 118.33 111.25 1di5 n VAL 100 Ca 0.03 -0.21 -0.05 0.00 -2.04 0.00 0.00 64.34 62.08 1di5 n VAL 100 Cb 0.19 -0.49 0.01 0.00 -1.47 0.00 0.00 33.84 32.08 1di5 n VAL 100 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1di5 h ASP 102 N 0.00 -0.76 0.26 -1.34 3.32 -0.17 -1.40 116.42 116.32 1di5 h ASP 102 Ca 0.00 0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 1di5 h ASP 102 Cb 0.67 0.40 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 1di5 h ASP 102 CO 0.00 -0.25 -0.38 -0.65 -1.72 0.00 0.00 179.24 176.24 1di5 h PRO 103 N -0.14 -0.65 -0.30 3.56 0.11 -1.73 -3.41 132.00 129.45 1di5 h PRO 103 Ca 0.21 0.04 -0.23 0.00 0.11 0.00 0.00 66.00 66.14 1di5 h PRO 103 Cb 0.46 0.15 -0.29 0.00 0.11 0.00 0.00 31.00 31.43 1di5 h PRO 103 CO -0.52 -0.43 -0.76 0.00 -0.21 0.00 0.00 178.00 176.08 1di5 n GLN 104 N -4.68 1.49 0.00 1.05 10.64 -1.19 -5.16 117.38 119.53 1di5 n GLN 104 Ca -0.08 -2.52 0.00 0.00 -1.83 0.00 0.00 57.00 52.57 1di5 n GLN 104 Cb 0.33 -0.71 0.00 0.00 -0.86 0.00 0.00 30.24 29.00 1di5 n GLN 104 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1di5 n GLY 105 N -0.89 0.84 0.08 2.61 0.00 -0.53 -4.58 105.19 102.71 1di5 n GLY 105 Ca -0.03 -1.97 0.10 0.00 0.00 0.00 0.00 46.02 44.13 1di5 n GLY 105 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1di5 n ILE 106 N 1.20 0.86 0.77 -0.61 3.06 -1.26 -2.50 119.36 120.88 1di5 n ILE 106 Ca 0.00 0.21 0.06 0.00 -2.50 0.00 0.00 62.75 60.52 1di5 n ILE 106 Cb 0.00 -1.06 0.35 0.00 0.54 0.00 0.00 39.64 39.47 1di5 n ILE 106 CO 0.00 0.00 0.00 -2.11 -2.50 0.00 0.00 176.55 171.94 1di5 n ARG 107 N -1.95 0.39 -0.07 9.51 0.00 -1.26 -2.54 116.66 120.74 1di5 n ARG 107 Ca 0.03 0.00 0.09 0.00 -0.00 0.00 0.00 57.85 57.97 1di5 n ARG 107 Cb 0.22 -1.47 0.47 0.00 -0.00 0.00 0.00 32.46 31.67 1di5 n ARG 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1di5 h ALA 108 N 2.72 1.90 -2.67 2.89 0.00 -1.79 -3.39 119.26 118.93 1di5 h ALA 108 Ca 0.00 -0.02 -0.61 0.00 0.00 0.00 0.00 54.91 54.29 1di5 h ALA 108 Cb 0.00 -0.11 -0.11 0.00 0.00 0.00 0.00 17.79 17.56 1di5 h ALA 108 CO 0.00 -0.01 -0.03 -1.58 0.00 0.00 0.00 179.25 177.63 1di5 s TRP 109 N -5.44 3.33 0.25 0.00 0.51 -1.05 -4.97 118.94 111.56 1di5 s TRP 109 Ca -0.08 0.71 -0.06 0.00 -2.12 0.00 0.00 56.10 54.55 1di5 s TRP 109 Cb 0.19 -2.68 0.26 0.00 -0.81 0.00 0.00 33.47 30.42 1di5 s TRP 109 CO 0.75 -0.17 1.92 0.28 -0.51 0.00 0.00 176.95 179.22 1di5 h VAL 110 N 5.22 1.24 -0.73 4.03 2.07 -1.90 -2.21 116.25 123.97 1di5 h VAL 110 Ca -0.32 -0.45 0.07 0.00 0.82 0.00 0.00 66.70 66.82 1di5 h VAL 110 Cb 1.15 -0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 1di5 h VAL 110 CO 0.73 0.24 0.48 0.00 0.02 0.00 0.00 177.57 179.04 1di5 h ALA 111 N 1.36 1.72 -0.44 1.67 0.00 -1.95 -0.55 119.26 121.08 1di5 h ALA 111 Ca 0.36 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 1di5 h ALA 111 Cb -0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1di5 h ALA 111 CO -0.08 0.16 0.06 2.35 0.00 0.00 0.00 179.25 181.74 1di5 h TRP 112 N 0.75 0.78 -0.79 0.00 7.01 -1.73 0.48 115.95 122.45 1di5 h TRP 112 Ca 0.32 -0.11 -0.03 0.00 2.11 0.00 0.00 58.89 61.18 1di5 h TRP 112 Cb 0.29 -0.21 -0.04 0.00 -2.10 0.00 0.00 29.16 27.10 1di5 h TRP 112 CO -0.00 0.75 0.39 0.00 -2.79 0.00 0.00 178.44 176.79 1di5 h ARG 113 N 0.59 1.13 -0.10 2.65 3.08 -1.29 0.42 114.38 120.85 1di5 h ARG 113 Ca 0.13 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1di5 h ARG 113 Cb 0.39 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1di5 h ARG 113 CO 0.01 0.87 0.01 -0.91 -1.07 0.00 0.00 179.97 178.88 1di5 h ASN 114 N 1.11 0.16 0.00 7.04 2.35 -0.72 -3.33 115.58 122.20 1di5 h ASN 114 Ca 0.27 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1di5 h ASN 114 Cb 0.10 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1di5 h ASN 114 CO -0.04 0.39 0.00 -2.11 -1.65 0.00 0.00 177.43 174.02 1di5 n ARG 115 N -4.85 2.08 0.00 0.81 0.00 0.12 -4.83 116.66 110.00 1di5 n ARG 115 Ca -0.06 -1.23 0.00 0.00 -0.00 0.00 0.00 57.85 56.56 1di5 n ARG 115 Cb 0.17 -0.95 0.00 0.00 -0.00 0.00 0.00 32.46 31.69 1di5 n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1di5 s GLN 117 N -1.70 4.18 -1.77 0.00 0.74 0.11 -2.42 119.66 118.79 1di5 s GLN 117 Ca 0.00 2.46 0.00 0.00 0.05 0.00 0.00 55.36 57.87 1di5 s GLN 117 Cb 0.00 -3.22 0.00 0.00 1.10 0.00 0.00 33.01 30.89 1di5 s GLN 117 CO 0.00 -0.69 0.00 0.09 -0.55 0.00 0.00 175.29 174.14 1di5 n ASN 118 N 4.33 -5.86 -4.64 6.67 5.03 -1.26 -4.92 115.26 114.61 1di5 n ASN 118 Ca 0.15 -0.01 -0.26 0.00 0.87 0.00 0.00 54.58 55.32 1di5 n ASN 118 Cb 0.38 -4.87 -0.10 0.00 -1.02 0.00 0.00 39.78 34.17 1di5 n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1di5 s ARG 119 N -5.01 2.02 -0.81 3.52 1.81 -1.02 -5.07 118.95 114.39 1di5 s ARG 119 Ca 0.00 -1.96 -0.24 0.00 -1.72 0.00 0.00 55.73 51.81 1di5 s ARG 119 Cb 0.00 -1.78 0.06 0.00 -0.45 0.00 0.00 34.95 32.78 1di5 s ARG 119 CO 0.00 -0.01 1.21 0.34 -0.68 0.00 0.00 175.30 176.17 1di5 s ASP 120 N -3.74 6.31 0.00 0.23 -1.08 -1.26 -4.84 116.67 112.29 1di5 s ASP 120 Ca 0.36 -1.06 0.24 0.00 -0.52 0.00 0.00 52.55 51.57 1di5 s ASP 120 Cb 0.06 -2.50 0.22 0.00 -1.46 0.00 0.00 42.92 39.23 1di5 s ASP 120 CO 0.19 -1.55 1.22 1.33 0.52 0.00 0.00 175.17 176.88 1di5 n VAL 121 N 6.26 0.00 -0.34 1.11 0.24 -1.26 -4.54 118.33 119.79 1di5 n VAL 121 Ca 0.11 -0.11 0.21 0.00 -2.04 0.00 0.00 64.34 62.51 1di5 n VAL 121 Cb 0.49 0.79 0.45 0.00 -1.47 0.00 0.00 33.84 34.10 1di5 n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1di5 h ARG 122 N 1.06 0.45 -1.09 7.34 3.08 -1.91 -1.67 114.38 121.63 1di5 h ARG 122 Ca 0.00 -0.03 0.30 0.00 0.07 0.00 0.00 59.98 60.33 1di5 h ARG 122 Cb 0.58 -0.10 -0.11 0.00 0.08 0.00 0.00 29.97 30.42 1di5 h ARG 122 CO 0.00 0.29 0.69 -0.56 -1.07 0.00 0.00 179.97 179.33 1di5 h GLN 123 N 0.46 0.33 0.00 0.04 3.07 -1.98 -1.92 115.11 115.11 1di5 h GLN 123 Ca 0.66 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 59.38 1di5 h GLN 123 Cb 1.46 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 28.94 1di5 h GLN 123 CO -0.45 0.22 0.00 1.88 0.09 0.00 0.00 178.83 180.57 1di5 h TYR 124 N 0.34 0.00 0.00 0.06 0.05 -1.64 -2.81 116.97 112.97 1di5 h TYR 124 Ca 0.65 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.43 1di5 h TYR 124 Cb 1.71 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.45 1di5 h TYR 124 CO -0.00 0.00 0.00 1.33 -1.05 0.00 0.00 178.16 178.44 1di5 n VAL 125 N -2.36 0.28 -2.06 -2.88 0.24 -0.73 -4.84 118.33 105.97 1di5 n VAL 125 Ca -0.01 -0.48 -0.42 0.00 -2.04 0.00 0.00 64.34 61.39 1di5 n VAL 125 Cb 0.08 1.05 -0.03 0.00 -1.47 0.00 0.00 33.84 33.48 1di5 n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1di5 s GLN 126 N -0.28 4.23 0.00 7.34 -1.52 -1.06 -2.27 119.66 126.10 1di5 s GLN 126 Ca 0.00 2.17 0.00 0.00 -1.95 0.00 0.00 55.36 55.58 1di5 s GLN 126 Cb 0.00 -3.60 0.00 0.00 -0.22 0.00 0.00 33.01 29.19 1di5 s GLN 126 CO 0.00 -0.67 0.00 0.41 -0.25 0.00 0.00 175.29 174.78 1di5 n GLY 127 N 3.85 0.82 0.00 3.09 0.00 -1.26 -4.89 105.19 106.81 1di5 n GLY 127 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 1di5 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1di5 n GLY 129 N 1.49 -0.10 0.42 0.00 0.00 -1.26 -4.80 105.19 100.94 1di5 n GLY 129 Ca 0.06 -0.09 0.05 0.00 0.00 0.00 0.00 46.02 46.04 1di5 n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65