#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b1i n ASN 3 N 0.00 -0.89 -0.06 -2.24 0.23 -1.26 -4.20 115.26 106.84 1b1i n ASN 3 Ca 0.00 0.99 0.19 0.00 -0.53 0.00 0.00 54.58 55.23 1b1i n ASN 3 Cb 0.00 -1.50 0.64 0.00 -2.08 0.00 0.00 39.78 36.84 1b1i n ASN 3 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1b1i h SER 4 N 4.12 0.11 1.09 0.53 0.02 -2.03 -2.04 113.55 115.36 1b1i h SER 4 Ca 0.00 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.86 1b1i h SER 4 Cb 0.00 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1b1i h SER 4 CO 0.00 0.06 -0.47 0.03 -1.14 0.00 0.00 176.83 175.31 1b1i h ARG 5 N 0.12 0.00 0.07 3.45 3.08 -1.96 -2.13 114.38 117.01 1b1i h ARG 5 Ca 0.29 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.34 1b1i h ARG 5 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.05 1b1i h ARG 5 CO -0.03 0.47 -0.03 -0.92 -1.07 0.00 0.00 179.97 178.38 1b1i h TYR 6 N 0.00 -0.08 -0.29 3.04 3.20 -1.57 -2.24 116.97 119.04 1b1i h TYR 6 Ca -0.00 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 1b1i h TYR 6 Cb 1.14 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.42 1b1i h TYR 6 CO 0.00 0.50 0.05 1.79 -1.64 0.00 0.00 178.16 178.86 1b1i h THR 7 N -0.81 1.15 -0.09 1.81 1.35 -1.58 0.27 112.91 115.01 1b1i h THR 7 Ca -0.01 -0.53 -0.08 0.00 -0.55 0.00 0.00 66.41 65.24 1b1i h THR 7 Cb 0.62 0.88 -0.01 0.00 -1.73 0.00 0.00 68.15 67.90 1b1i h THR 7 CO 0.01 0.19 -0.30 -0.74 -0.25 0.00 0.00 175.52 174.43 1b1i h HIS 8 N 0.41 0.19 -0.02 4.73 -0.00 -1.42 -1.26 115.15 117.79 1b1i h HIS 8 Ca 0.10 -0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 60.43 1b1i h HIS 8 Cb 0.19 -0.05 -0.00 0.00 -0.00 0.00 0.00 27.41 27.55 1b1i h HIS 8 CO 0.01 0.46 0.00 0.35 -0.00 0.00 0.00 177.93 178.75 1b1i h PHE 9 N 0.16 0.04 -0.86 5.26 3.57 -0.35 -1.70 116.94 123.05 1b1i h PHE 9 Ca 0.02 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.57 1b1i h PHE 9 Cb 0.62 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.29 1b1i h PHE 9 CO 0.01 0.27 0.54 -0.07 -2.23 0.00 0.00 178.31 176.82 1b1i h LEU 10 N -0.20 0.85 -0.70 0.59 3.38 -0.88 0.21 115.31 118.56 1b1i h LEU 10 Ca 0.01 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1b1i h LEU 10 Cb 0.25 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1b1i h LEU 10 CO 0.00 0.55 0.44 0.74 0.09 0.00 0.00 178.44 180.26 1b1i h THR 11 N 0.99 1.19 0.00 0.22 2.02 -1.04 0.13 112.91 116.42 1b1i h THR 11 Ca 0.37 -0.40 -0.04 0.00 0.77 0.00 0.00 66.41 67.11 1b1i h THR 11 Cb 0.14 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 1b1i h THR 11 CO -0.16 0.20 -0.75 1.56 0.37 0.00 0.00 175.52 176.73 1b1i h GLN 12 N 0.95 0.00 0.00 6.66 4.20 -0.80 -3.41 115.11 122.71 1b1i h GLN 12 Ca 0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.96 1b1i h GLN 12 Cb -0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.72 1b1i h GLN 12 CO -0.05 0.09 -0.02 0.72 -0.67 0.00 0.00 178.83 178.90 1b1i n HIS 13 N -2.88 0.00 -4.68 2.96 8.25 0.69 -4.74 115.22 114.82 1b1i n HIS 13 Ca -0.00 -0.14 -0.24 0.00 -0.26 0.00 0.00 57.72 57.08 1b1i n HIS 13 Cb 0.61 -0.02 -0.16 0.00 1.12 0.00 0.00 29.99 31.54 1b1i n HIS 13 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1b1i s TYR 14 N -0.30 1.41 -0.31 4.41 5.04 0.43 -0.22 117.35 127.81 1b1i s TYR 14 Ca 0.00 -0.35 0.00 0.00 -2.44 0.00 0.00 57.07 54.28 1b1i s TYR 14 Cb 0.00 -0.95 0.14 0.00 0.35 0.00 0.00 41.96 41.51 1b1i s TYR 14 CO 0.00 -0.11 0.30 0.34 -1.34 0.00 0.00 175.55 174.74 1b1i s ASP 15 N -0.04 1.74 0.03 4.32 2.15 -0.82 -4.76 116.67 119.29 1b1i s ASP 15 Ca -0.01 -1.08 -0.06 0.00 0.43 0.00 0.00 52.55 51.83 1b1i s ASP 15 Cb -0.09 0.41 -0.01 0.00 -0.30 0.00 0.00 42.92 42.93 1b1i s ASP 15 CO 0.01 -0.36 1.10 0.00 -0.17 0.00 0.00 175.17 175.75 1b1i h ALA 16 N 7.89 -0.13 -2.96 3.66 0.00 -1.82 -3.37 119.26 122.54 1b1i h ALA 16 Ca -0.08 0.02 -0.60 0.00 0.00 0.00 0.00 54.91 54.25 1b1i h ALA 16 Cb 1.06 1.05 -0.40 0.00 0.00 0.00 0.00 17.79 19.50 1b1i h ALA 16 CO 0.30 -0.20 -0.76 0.15 0.00 0.00 0.00 179.25 178.74 1b1i s LYS 17 N -3.47 1.02 0.90 0.00 1.02 -1.26 -1.89 119.74 116.06 1b1i s LYS 17 Ca -0.02 -1.66 -0.14 0.00 0.02 0.00 0.00 55.97 54.17 1b1i s LYS 17 Cb 0.02 -2.08 0.15 0.00 -0.52 0.00 0.00 37.83 35.40 1b1i s LYS 17 CO 0.11 -1.13 1.25 -1.25 -0.92 0.00 0.00 175.35 173.42 1b1i s PRO 18 N 0.79 1.15 0.00 -1.68 0.04 -1.26 -5.07 135.00 128.96 1b1i s PRO 18 Ca 0.16 -0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.05 1b1i s PRO 18 Cb -0.23 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1b1i s PRO 18 CO -0.06 -2.11 0.00 1.04 0.04 0.00 0.00 177.00 175.91 1b1i n GLN 19 N -3.62 0.00 -3.50 4.56 1.13 -1.26 -4.98 117.38 109.71 1b1i n GLN 19 Ca 0.12 0.00 -0.38 0.00 -1.94 0.00 0.00 57.00 54.80 1b1i n GLN 19 Cb 0.60 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.89 1b1i n GLN 19 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1b1i s GLY 20 N -0.21 2.44 -0.81 1.08 0.00 -1.26 -4.99 107.32 103.57 1b1i s GLY 20 Ca 0.00 -0.25 0.02 0.00 0.00 0.00 0.00 44.72 44.49 1b1i s GLY 20 CO 0.00 0.23 1.35 0.54 0.00 0.00 0.00 173.10 175.21 1b1i n ARG 21 N 2.19 4.22 -1.89 2.90 1.74 -1.26 -4.66 116.66 119.90 1b1i n ARG 21 Ca -0.13 -4.75 -0.08 0.00 -0.77 0.00 0.00 57.85 52.12 1b1i n ARG 21 Cb 0.52 -2.36 0.02 0.00 -1.02 0.00 0.00 32.46 29.63 1b1i n ARG 21 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1b1i n ASP 22 N 0.03 0.98 -0.22 0.55 5.75 -1.26 -4.65 116.55 117.73 1b1i n ASP 22 Ca 0.37 -1.62 0.02 0.00 -0.01 0.00 0.00 54.79 53.55 1b1i n ASP 22 Cb 0.33 -0.14 0.13 0.00 -1.03 0.00 0.00 41.12 40.42 1b1i n ASP 22 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1b1i h ASP 23 N 0.08 0.18 0.38 -1.12 5.19 -1.87 -0.76 116.42 118.50 1b1i h ASP 23 Ca -0.11 0.10 -0.05 0.00 -0.62 0.00 0.00 57.03 56.35 1b1i h ASP 23 Cb 0.49 0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.08 1b1i h ASP 23 CO 0.16 0.09 -0.22 0.03 -3.12 0.00 0.00 179.24 176.18 1b1i h ARG 24 N 0.38 0.00 -0.69 3.56 3.08 -1.95 -1.84 114.38 116.92 1b1i h ARG 24 Ca 0.34 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.32 1b1i h ARG 24 Cb 0.48 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 1b1i h ARG 24 CO -0.36 0.22 0.14 -0.92 -1.07 0.00 0.00 179.97 177.98 1b1i h TYR 25 N 0.00 1.19 0.69 3.04 3.20 -1.41 -2.47 116.97 121.22 1b1i h TYR 25 Ca -0.00 -0.15 -0.03 0.00 3.14 0.00 0.00 58.73 61.68 1b1i h TYR 25 Cb 0.48 -0.33 0.01 0.00 1.54 0.00 0.00 36.73 38.42 1b1i h TYR 25 CO 0.00 0.98 -0.33 0.00 -1.64 0.00 0.00 178.16 177.17 1b1i h GLU 27 N -1.05 0.48 0.12 0.00 5.08 -1.38 -0.48 114.58 117.35 1b1i h GLU 27 Ca -0.10 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.08 1b1i h GLU 27 Cb 0.74 -0.11 0.02 0.00 0.50 0.00 0.00 28.75 29.90 1b1i h GLU 27 CO 0.16 0.32 -0.68 1.03 -1.00 0.00 0.00 179.01 178.83 1b1i h SER 28 N 0.49 0.38 -0.17 1.42 0.87 -1.33 -3.16 113.55 112.06 1b1i h SER 28 Ca 0.53 -0.96 -0.10 0.00 -1.23 0.00 0.00 61.79 60.03 1b1i h SER 28 Cb 1.19 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.01 1b1i h SER 28 CO -0.25 1.33 -0.20 -0.29 -0.53 0.00 0.00 176.83 176.88 1b1i h ILE 29 N -0.48 1.26 -0.44 2.23 2.10 -0.60 -0.75 117.51 120.83 1b1i h ILE 29 Ca -0.12 -1.24 -0.01 0.00 1.08 0.00 0.00 64.86 64.57 1b1i h ILE 29 Cb 1.53 1.24 -0.02 0.00 -1.09 0.00 0.00 36.82 38.48 1b1i h ILE 29 CO 0.12 0.40 0.22 0.24 -1.08 0.00 0.00 178.15 178.06 1b1i h MET 30 N 0.53 0.63 -0.25 2.19 2.86 -1.23 -0.14 114.93 119.52 1b1i h MET 30 Ca 0.08 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1b1i h MET 30 Cb 0.65 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1b1i h MET 30 CO 0.05 0.52 0.10 0.00 1.06 0.00 0.00 176.91 178.64 1b1i h ARG 31 N 0.57 0.37 -0.31 1.72 3.08 -1.47 0.21 114.38 118.55 1b1i h ARG 31 Ca 0.15 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1b1i h ARG 31 Cb 0.09 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1b1i h ARG 31 CO -0.02 0.42 0.14 -0.09 -1.07 0.00 0.00 179.97 179.35 1b1i h ARG 32 N 0.25 0.42 -0.60 0.04 2.43 -0.89 -2.19 114.38 113.84 1b1i h ARG 32 Ca 0.08 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1b1i h ARG 32 Cb 0.19 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1b1i h ARG 32 CO -0.01 0.34 0.00 0.54 -1.51 0.00 0.00 179.97 179.33 1b1i n ARG 33 N -4.43 2.73 -2.87 0.20 5.12 -0.09 -4.95 116.66 112.37 1b1i n ARG 33 Ca 0.01 -2.18 -0.17 0.00 -1.93 0.00 0.00 57.85 53.59 1b1i n ARG 33 Cb 0.12 -1.60 0.03 0.00 -1.16 0.00 0.00 32.46 29.85 1b1i n ARG 33 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1b1i n GLY 34 N 1.22 -0.24 2.05 -0.13 0.00 -0.82 -4.91 105.19 102.36 1b1i n GLY 34 Ca 0.20 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1b1i n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b1i n LEU 35 N -3.19 6.42 -0.59 0.99 7.99 0.02 -4.62 117.00 124.02 1b1i n LEU 35 Ca -0.08 -4.02 0.06 0.00 -0.01 0.00 0.00 56.01 51.96 1b1i n LEU 35 Cb 0.59 -0.80 0.11 0.00 -0.11 0.00 0.00 43.42 43.22 1b1i n LEU 35 CO 0.37 1.36 0.35 0.35 -1.51 0.00 0.00 177.39 178.31 1b1i n THR 36 N -1.01 1.29 -3.22 -5.08 -2.24 -1.26 -2.59 114.28 100.17 1b1i n THR 36 Ca 0.54 -1.94 -0.13 0.00 -2.27 0.00 0.00 64.05 60.26 1b1i n THR 36 Cb 1.11 0.13 -0.05 0.00 -2.10 0.00 0.00 70.33 69.42 1b1i n THR 36 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1b1i s SER 37 N -2.49 0.22 0.92 3.42 1.04 -1.26 -3.83 113.70 111.72 1b1i s SER 37 Ca 0.29 -1.75 -0.15 0.00 0.48 0.00 0.00 55.95 54.82 1b1i s SER 37 Cb 0.28 0.90 0.16 0.00 0.10 0.00 0.00 66.02 67.46 1b1i s SER 37 CO -0.05 -0.18 1.28 -2.16 0.98 0.00 0.00 173.24 173.11 1b1i s PRO 38 N 1.13 1.04 -0.08 4.02 0.05 -1.26 -5.08 135.00 134.82 1b1i s PRO 38 Ca 0.22 -0.24 -0.30 0.00 0.05 0.00 0.00 61.00 60.74 1b1i s PRO 38 Cb -0.07 -1.88 -0.04 0.00 0.05 0.00 0.00 34.50 32.56 1b1i s PRO 38 CO -0.07 -2.17 1.45 0.00 0.05 0.00 0.00 177.00 176.26 1b1i s LYS 40 N 3.45 4.24 0.42 0.00 2.20 -1.07 -4.90 119.74 124.08 1b1i s LYS 40 Ca 0.64 2.34 0.15 0.00 -0.36 0.00 0.00 55.97 58.75 1b1i s LYS 40 Cb -0.29 -3.13 0.92 0.00 -1.51 0.00 0.00 37.83 33.83 1b1i s LYS 40 CO 0.23 -0.51 1.92 0.38 -0.36 0.00 0.00 175.35 177.01 1b1i h ASP 41 N 5.80 0.00 -3.79 1.43 2.03 -1.93 -3.40 116.42 116.55 1b1i h ASP 41 Ca -0.45 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 55.84 1b1i h ASP 41 Cb 1.21 0.00 -0.22 0.00 -0.83 0.00 0.00 39.33 39.49 1b1i h ASP 41 CO 0.84 0.27 0.18 -0.51 -1.03 0.00 0.00 179.24 178.99 1b1i s ILE 42 N -4.34 0.00 -0.21 4.15 2.07 -1.26 -1.14 121.20 120.48 1b1i s ILE 42 Ca -0.03 0.00 -0.15 0.00 -1.41 0.00 0.00 60.65 59.06 1b1i s ILE 42 Cb 0.15 -1.00 0.06 0.00 0.13 0.00 0.00 42.46 41.80 1b1i s ILE 42 CO 0.70 0.00 0.53 0.21 -1.91 0.00 0.00 174.94 174.47 1b1i s ASN 43 N 0.44 -0.65 -0.05 4.50 2.47 -0.62 -5.00 114.94 116.03 1b1i s ASN 43 Ca -0.00 1.13 0.04 0.00 0.42 0.00 0.00 52.86 54.44 1b1i s ASN 43 Cb -0.05 1.06 -0.03 0.00 -1.45 0.00 0.00 41.25 40.78 1b1i s ASN 43 CO -0.02 -0.20 -0.14 -0.89 -3.72 0.00 0.00 177.10 172.13 1b1i s THR 44 N 1.03 3.07 -0.06 -5.21 2.01 -1.26 -0.71 115.64 114.51 1b1i s THR 44 Ca -0.06 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.24 1b1i s THR 44 Cb -0.06 -2.20 -0.03 0.00 0.01 0.00 0.00 72.50 70.22 1b1i s THR 44 CO -0.09 0.59 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.96 1b1i s PHE 45 N -0.73 2.82 -0.11 4.92 0.08 -0.05 -4.50 117.98 120.41 1b1i s PHE 45 Ca 0.11 -0.10 -0.04 0.00 0.12 0.00 0.00 56.93 57.02 1b1i s PHE 45 Cb -0.11 -1.69 -0.04 0.00 -0.57 0.00 0.00 43.02 40.62 1b1i s PHE 45 CO 0.00 0.23 0.05 0.42 -0.10 0.00 0.00 175.22 175.83 1b1i s ILE 46 N -0.68 4.76 0.27 0.64 1.01 0.70 -1.26 121.20 126.64 1b1i s ILE 46 Ca 0.10 -0.07 0.09 0.00 0.00 0.00 0.00 60.65 60.77 1b1i s ILE 46 Cb -0.11 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.26 1b1i s ILE 46 CO 0.01 0.58 0.06 -1.00 0.00 0.00 0.00 174.94 174.60 1b1i s HIS 47 N -0.69 2.80 0.00 3.97 3.76 0.03 -1.95 115.29 123.20 1b1i s HIS 47 Ca 0.12 -0.21 0.00 0.00 -0.15 0.00 0.00 55.06 54.81 1b1i s HIS 47 Cb -0.12 -1.30 0.00 0.00 1.11 0.00 0.00 32.58 32.27 1b1i s HIS 47 CO 0.02 0.56 0.00 0.41 -0.85 0.00 0.00 174.74 174.88 1b1i n GLY 48 N -1.00 0.14 3.69 -2.22 0.00 -0.79 -4.24 105.19 100.77 1b1i n GLY 48 Ca -0.06 -2.22 -0.42 0.00 0.00 0.00 0.00 46.02 43.31 1b1i n GLY 48 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1b1i s ASN 49 N -4.00 6.94 0.16 1.61 3.04 -1.26 -4.62 114.94 116.80 1b1i s ASN 49 Ca 0.00 2.03 -0.13 0.00 0.04 0.00 0.00 52.86 54.80 1b1i s ASN 49 Cb 0.00 -2.56 0.04 0.00 -1.54 0.00 0.00 41.25 37.19 1b1i s ASN 49 CO 0.00 -0.64 1.69 0.11 -3.04 0.00 0.00 177.10 175.22 1b1i h LYS 50 N 7.51 0.79 -0.65 0.43 1.57 -1.99 -2.99 116.57 121.25 1b1i h LYS 50 Ca -0.38 -0.16 0.14 0.00 -1.87 0.00 0.00 60.65 58.38 1b1i h LYS 50 Cb 1.18 -0.12 -0.12 0.00 0.08 0.00 0.00 32.23 33.25 1b1i h LYS 50 CO 0.88 0.72 -0.09 -0.09 -0.57 0.00 0.00 179.45 180.30 1b1i h ARG 51 N 0.71 0.05 -0.61 3.15 9.65 -2.00 -0.80 114.38 124.52 1b1i h ARG 51 Ca 0.17 -0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.03 1b1i h ARG 51 Cb 0.24 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.78 1b1i h ARG 51 CO -0.01 0.03 0.30 0.77 2.80 0.00 0.00 179.97 183.86 1b1i h SER 52 N 0.05 0.77 -0.41 -3.80 0.02 -1.94 -1.52 113.55 106.71 1b1i h SER 52 Ca 0.33 -0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 61.10 1b1i h SER 52 Cb 0.53 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1b1i h SER 52 CO -0.63 0.65 -0.15 0.40 -1.14 0.00 0.00 176.83 175.97 1b1i h ILE 53 N 0.86 1.28 -0.68 3.27 2.04 -1.12 -3.00 117.51 120.16 1b1i h ILE 53 Ca 0.21 -1.27 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 1b1i h ILE 53 Cb 0.08 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1b1i h ILE 53 CO -0.03 0.43 0.35 0.11 0.00 0.00 0.00 178.15 179.01 1b1i h LYS 54 N 0.63 0.97 0.00 2.37 1.57 -0.82 -2.60 116.57 118.70 1b1i h LYS 54 Ca 0.10 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1b1i h LYS 54 Cb 0.69 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1b1i h LYS 54 CO 0.05 0.75 0.00 0.00 -0.57 0.00 0.00 179.45 179.68 1b1i n ALA 55 N -2.35 1.22 0.32 3.86 0.00 -0.61 -1.63 120.51 121.31 1b1i n ALA 55 Ca 0.05 -0.01 0.16 0.00 0.00 0.00 0.00 53.44 53.64 1b1i n ALA 55 Cb 0.11 -1.03 0.63 0.00 0.00 0.00 0.00 19.45 19.17 1b1i n ALA 55 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1b1i h ILE 56 N 0.00 0.00 0.00 0.00 2.04 -1.47 -2.66 117.51 115.42 1b1i h ILE 56 Ca 0.00 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1b1i h ILE 56 Cb 0.02 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1b1i h ILE 56 CO 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 178.15 178.02 1b1i s GLU 58 N -3.08 2.24 0.06 0.00 2.02 -1.07 -4.94 118.70 113.93 1b1i s GLU 58 Ca 0.11 -1.95 0.28 0.00 0.02 0.00 0.00 54.97 53.42 1b1i s GLU 58 Cb 0.14 -2.25 1.08 0.00 0.10 0.00 0.00 34.13 33.21 1b1i s GLU 58 CO 0.61 -0.75 1.86 0.09 0.02 0.00 0.00 175.26 177.09 1b1i n ASN 59 N -1.95 0.24 0.22 -0.19 4.13 -1.26 -2.72 115.26 113.73 1b1i n ASN 59 Ca 0.03 0.48 0.18 0.00 1.68 0.00 0.00 54.58 56.95 1b1i n ASN 59 Cb 0.64 -0.53 0.85 0.00 -1.54 0.00 0.00 39.78 39.20 1b1i n ASN 59 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 1b1i h LYS 60 N 0.00 0.00 0.00 3.52 3.64 -1.93 -3.19 116.57 118.61 1b1i h LYS 60 Ca 0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1b1i h LYS 60 Cb 0.57 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.28 1b1i h LYS 60 CO 0.00 0.00 -0.31 -1.71 -2.27 0.00 0.00 179.45 175.16 1b1i n ASN 61 N -3.66 -0.27 -3.87 4.20 5.15 -1.03 -4.97 115.26 110.82 1b1i n ASN 61 Ca 0.01 -1.64 -0.09 0.00 -0.60 0.00 0.00 54.58 52.26 1b1i n ASN 61 Cb 0.33 0.06 -0.08 0.00 -0.53 0.00 0.00 39.78 39.56 1b1i n ASN 61 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1b1i s GLY 62 N -0.77 0.10 0.02 8.20 0.00 -1.10 -2.05 107.32 111.72 1b1i s GLY 62 Ca 0.04 -0.53 0.01 0.00 0.00 0.00 0.00 44.72 44.25 1b1i s GLY 62 CO -0.02 -0.70 -0.05 -1.31 0.00 0.00 0.00 173.10 171.02 1b1i s ASN 63 N -2.52 0.55 0.88 1.64 0.02 -0.51 -4.48 114.94 110.53 1b1i s ASN 63 Ca 0.01 -0.38 -0.11 0.00 -1.02 0.00 0.00 52.86 51.35 1b1i s ASN 63 Cb 0.02 0.03 0.13 0.00 0.02 0.00 0.00 41.25 41.45 1b1i s ASN 63 CO -0.08 -0.15 1.16 -2.84 0.02 0.00 0.00 177.10 175.21 1b1i s PRO 64 N -1.07 1.19 -0.26 -0.60 0.02 -1.26 -0.96 135.00 132.06 1b1i s PRO 64 Ca -0.08 1.60 -0.16 0.00 0.02 0.00 0.00 61.00 62.39 1b1i s PRO 64 Cb -0.07 -1.74 0.08 0.00 0.02 0.00 0.00 34.50 32.78 1b1i s PRO 64 CO -0.00 -2.52 0.65 -1.58 -0.33 0.00 0.00 177.00 173.22 1b1i s HIS 65 N -2.52 -0.96 0.00 6.54 2.46 -0.39 -4.56 115.29 115.85 1b1i s HIS 65 Ca 0.68 1.98 0.00 0.00 0.47 0.00 0.00 55.06 58.19 1b1i s HIS 65 Cb -0.24 0.54 0.00 0.00 -0.13 0.00 0.00 32.58 32.75 1b1i s HIS 65 CO 0.56 -0.48 0.00 0.54 -2.47 0.00 0.00 174.74 172.89 1b1i n ARG 66 N 4.14 0.00 0.20 2.88 5.12 -1.26 -1.26 116.66 126.48 1b1i n ARG 66 Ca -0.20 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.63 1b1i n ARG 66 Cb 0.58 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.84 1b1i n ARG 66 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1b1i h GLU 67 N 0.00 -0.56 0.00 5.56 3.07 -2.04 -3.41 114.58 117.20 1b1i h GLU 67 Ca 0.00 0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 58.85 1b1i h GLU 67 Cb 0.00 0.13 -0.11 0.00 -0.84 0.00 0.00 28.75 27.92 1b1i h GLU 67 CO 0.00 -0.36 -0.56 0.27 -1.40 0.00 0.00 179.01 176.96 1b1i n ASN 68 N -5.16 1.32 -3.85 1.42 6.94 -1.25 -5.08 115.26 109.60 1b1i n ASN 68 Ca -0.07 -2.83 -0.16 0.00 -0.02 0.00 0.00 54.58 51.49 1b1i n ASN 68 Cb 0.23 -0.38 0.01 0.00 -2.36 0.00 0.00 39.78 37.28 1b1i n ASN 68 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1b1i n LEU 69 N -0.50 0.00 -3.94 -4.53 4.32 -0.39 -4.72 117.00 107.23 1b1i n LEU 69 Ca 0.11 -1.83 -0.10 0.00 -0.02 0.00 0.00 56.01 54.17 1b1i n LEU 69 Cb 0.82 -0.06 -0.12 0.00 -1.62 0.00 0.00 43.42 42.44 1b1i n LEU 69 CO -0.02 -0.49 -0.34 -0.13 -1.22 0.00 0.00 177.39 175.18 1b1i s ARG 70 N -3.50 0.25 -0.03 3.23 1.81 -0.16 -1.26 118.95 119.29 1b1i s ARG 70 Ca 0.23 -0.44 0.04 0.00 -1.72 0.00 0.00 55.73 53.84 1b1i s ARG 70 Cb -0.02 0.09 -0.01 0.00 -0.45 0.00 0.00 34.95 34.57 1b1i s ARG 70 CO 0.14 -0.04 -0.16 -1.50 -0.68 0.00 0.00 175.30 173.06 1b1i s ILE 71 N -1.10 1.35 0.57 1.52 2.07 -0.13 -1.15 121.20 124.33 1b1i s ILE 71 Ca -0.12 -0.69 -0.17 0.00 -1.41 0.00 0.00 60.65 58.25 1b1i s ILE 71 Cb -0.07 -1.15 -0.05 0.00 0.13 0.00 0.00 42.46 41.32 1b1i s ILE 71 CO -0.01 0.39 1.07 -0.94 -1.91 0.00 0.00 174.94 173.54 1b1i s SER 72 N -0.09 5.80 -0.06 4.50 1.04 -0.06 -1.42 113.70 123.41 1b1i s SER 72 Ca -0.00 1.92 -0.15 0.00 0.48 0.00 0.00 55.95 58.20 1b1i s SER 72 Cb -0.10 -2.55 -0.30 0.00 0.10 0.00 0.00 66.02 63.18 1b1i s SER 72 CO 0.01 -1.15 0.69 0.11 0.98 0.00 0.00 173.24 173.87 1b1i h LYS 73 N 0.74 0.34 -7.13 4.02 1.57 -1.76 -3.43 116.57 110.92 1b1i h LYS 73 Ca -0.48 -0.57 -0.50 0.00 -1.87 0.00 0.00 60.65 57.23 1b1i h LYS 73 Cb 1.23 0.21 0.04 0.00 0.08 0.00 0.00 32.23 33.80 1b1i h LYS 73 CO 0.57 1.27 0.26 -1.54 -0.57 0.00 0.00 179.45 179.45 1b1i s SER 74 N -7.17 6.28 0.19 0.86 1.04 -1.26 -4.95 113.70 108.68 1b1i s SER 74 Ca -0.17 1.19 -0.04 0.00 0.48 0.00 0.00 55.95 57.42 1b1i s SER 74 Cb 0.04 -2.37 -0.05 0.00 0.10 0.00 0.00 66.02 63.75 1b1i s SER 74 CO 0.82 -0.70 0.41 -0.44 0.98 0.00 0.00 173.24 174.32 1b1i s SER 75 N -4.03 6.45 0.08 7.02 0.01 -1.26 -4.23 113.70 117.74 1b1i s SER 75 Ca 0.52 0.56 0.05 0.00 1.31 0.00 0.00 55.95 58.39 1b1i s SER 75 Cb -0.11 -2.08 -0.03 0.00 0.21 0.00 0.00 66.02 64.02 1b1i s SER 75 CO 0.48 -0.02 -0.14 -0.36 0.41 0.00 0.00 173.24 173.60 1b1i s PHE 76 N -1.80 1.24 0.11 2.43 0.40 0.31 -4.87 117.98 115.80 1b1i s PHE 76 Ca 0.41 -0.48 -0.30 0.00 -0.60 0.00 0.00 56.93 55.96 1b1i s PHE 76 Cb -0.11 -0.69 -0.06 0.00 0.51 0.00 0.00 43.02 42.67 1b1i s PHE 76 CO 0.27 0.07 1.03 -0.65 0.70 0.00 0.00 175.22 176.64 1b1i s GLN 77 N -1.91 4.62 0.07 0.44 -1.52 -1.26 -2.19 119.66 117.92 1b1i s GLN 77 Ca -0.00 1.56 -0.01 0.00 -1.95 0.00 0.00 55.36 54.96 1b1i s GLN 77 Cb -0.09 -3.36 -0.04 0.00 -0.22 0.00 0.00 33.01 29.30 1b1i s GLN 77 CO 0.02 0.08 -0.01 0.14 -0.25 0.00 0.00 175.29 175.27 1b1i s VAL 78 N 0.21 0.22 -0.04 1.09 -7.23 -0.48 -0.79 120.40 113.38 1b1i s VAL 78 Ca 0.50 -1.84 -0.01 0.00 -1.81 0.00 0.00 61.98 58.82 1b1i s VAL 78 Cb -0.25 -1.67 0.03 0.00 0.56 0.00 0.00 36.38 35.05 1b1i s VAL 78 CO 0.31 -0.85 0.02 -0.89 -0.31 0.00 0.00 175.10 173.38 1b1i s THR 79 N -3.93 0.09 -0.18 5.32 2.01 -0.39 -0.87 115.64 117.69 1b1i s THR 79 Ca 0.12 0.21 -0.06 0.00 0.31 0.00 0.00 61.69 62.27 1b1i s THR 79 Cb 0.08 -0.25 -0.03 0.00 0.01 0.00 0.00 72.50 72.31 1b1i s THR 79 CO -0.07 0.16 0.03 -0.89 -0.69 0.00 0.00 174.62 173.16 1b1i s THR 80 N 1.51 4.42 -0.27 -0.82 2.01 0.32 -0.87 115.64 121.94 1b1i s THR 80 Ca -0.03 -0.16 -0.07 0.00 0.31 0.00 0.00 61.69 61.73 1b1i s THR 80 Cb -0.13 -2.98 -0.02 0.00 0.01 0.00 0.00 72.50 69.39 1b1i s THR 80 CO -0.03 0.46 0.08 0.00 -0.69 0.00 0.00 174.62 174.44 1b1i s LYS 82 N 1.58 3.58 0.32 0.00 2.36 -0.28 -1.59 119.74 125.71 1b1i s LYS 82 Ca 0.05 -0.56 -0.29 0.00 -2.55 0.00 0.00 55.97 52.63 1b1i s LYS 82 Cb -0.16 -2.94 -0.11 0.00 -1.05 0.00 0.00 37.83 33.58 1b1i s LYS 82 CO 0.03 0.11 1.43 -1.17 1.55 0.00 0.00 175.35 177.30 1b1i s LEU 83 N 0.70 4.37 0.07 5.43 2.96 -0.29 -1.24 118.68 130.68 1b1i s LEU 83 Ca -0.02 2.82 0.07 0.00 -0.22 0.00 0.00 54.13 56.78 1b1i s LEU 83 Cb -0.14 -3.65 -0.04 0.00 0.50 0.00 0.00 46.19 42.86 1b1i s LEU 83 CO 0.02 -0.72 -0.13 -2.28 -1.32 0.00 0.00 176.35 171.92 1b1i s HIS 84 N -0.71 2.69 0.00 5.38 5.65 0.20 -4.88 115.29 123.62 1b1i s HIS 84 Ca 0.54 -0.18 0.00 0.00 0.25 0.00 0.00 55.06 55.68 1b1i s HIS 84 Cb -0.43 -1.47 0.00 0.00 -1.18 0.00 0.00 32.58 29.50 1b1i s HIS 84 CO 0.53 0.36 0.00 0.41 -0.65 0.00 0.00 174.74 175.39 1b1i n GLY 85 N 1.13 -3.10 2.40 1.59 0.00 -1.26 -4.34 105.19 101.60 1b1i n GLY 85 Ca -0.15 -1.81 -0.25 0.00 0.00 0.00 0.00 46.02 43.82 1b1i n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b1i n GLY 86 N -0.45 5.79 2.90 -0.02 0.00 -1.26 -5.03 105.19 107.12 1b1i n GLY 86 Ca 0.00 -2.64 -0.18 0.00 0.00 0.00 0.00 46.02 43.20 1b1i n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1b1i s SER 87 N -3.53 0.71 0.00 1.61 0.15 -1.26 -5.01 113.70 106.37 1b1i s SER 87 Ca 0.47 -0.09 0.21 0.00 0.70 0.00 0.00 55.95 57.24 1b1i s SER 87 Cb 0.40 -0.28 0.97 0.00 -1.71 0.00 0.00 66.02 65.41 1b1i s SER 87 CO -0.13 -0.03 1.69 -0.81 1.20 0.00 0.00 173.24 175.16 1b1i n PRO 88 N 3.71 0.10 -4.20 5.44 -0.05 -1.26 -4.83 135.00 133.91 1b1i n PRO 88 Ca -0.22 0.12 -0.33 0.00 -0.05 0.00 0.00 63.50 63.02 1b1i n PRO 88 Cb 0.53 -1.50 -0.08 0.00 -0.05 0.00 0.00 33.50 32.40 1b1i n PRO 88 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 175.50 173.87 1b1i s TRP 89 N -2.86 3.17 0.74 0.54 0.52 -1.26 0.13 118.94 119.92 1b1i s TRP 89 Ca 0.14 0.14 -0.15 0.00 0.02 0.00 0.00 56.10 56.24 1b1i s TRP 89 Cb 0.14 -1.70 0.03 0.00 -1.15 0.00 0.00 33.47 30.79 1b1i s TRP 89 CO 0.37 0.50 1.14 -2.30 0.02 0.00 0.00 176.95 176.68 1b1i n PRO 90 N 1.31 0.52 -1.99 4.98 -0.02 -1.26 -4.40 135.00 134.14 1b1i n PRO 90 Ca -0.14 0.24 -0.42 0.00 -2.02 0.00 0.00 63.50 61.17 1b1i n PRO 90 Cb 0.53 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.60 1b1i n PRO 90 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1b1i s PRO 91 N -3.65 4.25 -0.31 0.52 0.04 -1.26 -5.13 135.00 129.45 1b1i s PRO 91 Ca 0.76 2.31 -0.17 0.00 0.04 0.00 0.00 61.00 63.93 1b1i s PRO 91 Cb -0.33 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 31.05 1b1i s PRO 91 CO 0.48 -0.51 0.46 0.00 0.04 0.00 0.00 177.00 177.47 1b1i s GLN 93 N 2.25 4.22 0.04 0.00 0.74 -1.26 -4.87 119.66 120.79 1b1i s GLN 93 Ca 0.17 0.28 0.09 0.00 0.05 0.00 0.00 55.36 55.95 1b1i s GLN 93 Cb -0.16 -3.51 -0.03 0.00 1.10 0.00 0.00 33.01 30.42 1b1i s GLN 93 CO 0.12 0.02 -0.26 0.71 -0.55 0.00 0.00 175.29 175.32 1b1i s TYR 94 N 1.12 2.34 -0.12 1.67 2.02 -1.26 0.59 117.35 123.71 1b1i s TYR 94 Ca 0.21 -0.41 -0.01 0.00 -0.37 0.00 0.00 57.07 56.50 1b1i s TYR 94 Cb -0.15 -1.41 -0.02 0.00 -0.40 0.00 0.00 41.96 39.98 1b1i s TYR 94 CO 0.08 0.11 -0.10 1.03 -1.57 0.00 0.00 175.55 175.10 1b1i s ARG 95 N -1.18 3.34 -0.05 -0.62 0.52 -0.37 -4.68 118.95 115.90 1b1i s ARG 95 Ca 0.12 -0.63 -0.04 0.00 -0.52 0.00 0.00 55.73 54.65 1b1i s ARG 95 Cb -0.10 -2.68 -0.04 0.00 0.52 0.00 0.00 34.95 32.65 1b1i s ARG 95 CO 0.02 0.29 0.14 0.00 0.02 0.00 0.00 175.30 175.77 1b1i s ALA 96 N 0.17 3.84 -0.16 2.13 0.00 -1.26 -1.12 121.76 125.36 1b1i s ALA 96 Ca -0.06 -0.74 -0.02 0.00 0.00 0.00 0.00 51.96 51.14 1b1i s ALA 96 Cb -0.15 -1.85 0.05 0.00 0.00 0.00 0.00 23.12 21.18 1b1i s ALA 96 CO 0.04 0.68 0.02 0.99 0.00 0.00 0.00 175.76 177.50 1b1i s THR 97 N -1.17 0.52 0.29 0.00 2.01 -0.12 -4.80 115.64 112.36 1b1i s THR 97 Ca 0.21 -0.38 -0.20 0.00 0.31 0.00 0.00 61.69 61.64 1b1i s THR 97 Cb -0.12 -0.91 -0.09 0.00 0.01 0.00 0.00 72.50 71.38 1b1i s THR 97 CO 0.12 -0.06 0.80 0.00 -0.69 0.00 0.00 174.62 174.78 1b1i s ALA 98 N 1.88 3.30 0.29 7.40 0.00 -1.26 -0.52 121.76 132.85 1b1i s ALA 98 Ca 0.01 0.23 -0.12 0.00 0.00 0.00 0.00 51.96 52.08 1b1i s ALA 98 Cb -0.16 -2.92 0.01 0.00 0.00 0.00 0.00 23.12 20.05 1b1i s ALA 98 CO -0.07 0.28 0.55 0.20 0.00 0.00 0.00 175.76 176.71 1b1i s GLY 99 N -1.87 0.62 -0.24 0.00 0.00 -0.05 -4.96 107.32 100.82 1b1i s GLY 99 Ca 0.50 -0.91 -0.02 0.00 0.00 0.00 0.00 44.72 44.28 1b1i s GLY 99 CO 0.20 -0.59 0.29 -0.12 0.00 0.00 0.00 173.10 172.88 1b1i s PHE 100 N -3.58 -0.52 0.18 1.90 5.36 -1.26 -1.38 117.98 118.69 1b1i s PHE 100 Ca 0.22 0.28 -0.23 0.00 -0.96 0.00 0.00 56.93 56.24 1b1i s PHE 100 Cb -0.02 -0.28 0.07 0.00 -0.34 0.00 0.00 43.02 42.46 1b1i s PHE 100 CO 0.11 -0.75 1.02 -0.98 -1.46 0.00 0.00 175.22 173.17 1b1i s ARG 101 N 2.41 1.31 0.64 10.12 1.70 -0.93 -4.86 118.95 129.34 1b1i s ARG 101 Ca 0.09 -0.83 -0.12 0.00 -0.47 0.00 0.00 55.73 54.41 1b1i s ARG 101 Cb -0.15 0.38 -0.02 0.00 -0.57 0.00 0.00 34.95 34.59 1b1i s ARG 101 CO -0.20 -0.61 1.05 0.54 -1.08 0.00 0.00 175.30 174.99 1b1i s ASN 102 N -3.30 5.74 0.16 -2.89 4.22 -1.26 -0.53 114.94 117.08 1b1i s ASN 102 Ca 0.20 1.61 0.10 0.00 -2.14 0.00 0.00 52.86 52.63 1b1i s ASN 102 Cb -0.02 -2.50 -0.04 0.00 1.28 0.00 0.00 41.25 39.97 1b1i s ASN 102 CO 0.05 -1.20 -0.23 0.68 -2.04 0.00 0.00 177.10 174.35 1b1i s VAL 103 N -2.92 2.17 -0.20 3.54 -7.23 -1.26 -4.91 120.40 109.59 1b1i s VAL 103 Ca 0.59 -1.90 -0.05 0.00 -1.81 0.00 0.00 61.98 58.80 1b1i s VAL 103 Cb -0.13 -1.99 -0.03 0.00 0.56 0.00 0.00 36.38 34.79 1b1i s VAL 103 CO 0.49 -0.10 0.01 -0.69 -0.31 0.00 0.00 175.10 174.50 1b1i s VAL 104 N -1.55 4.06 0.34 1.32 1.01 -1.26 -0.88 120.40 123.44 1b1i s VAL 104 Ca 0.17 -0.28 0.04 0.00 0.00 0.00 0.00 61.98 61.91 1b1i s VAL 104 Cb -0.08 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1b1i s VAL 104 CO 0.08 0.43 0.15 0.68 0.00 0.00 0.00 175.10 176.43 1b1i s VAL 105 N 0.96 0.46 -0.05 2.92 -7.23 -0.30 -1.30 120.40 115.87 1b1i s VAL 105 Ca 0.02 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.25 1b1i s VAL 105 Cb -0.14 -2.49 -0.01 0.00 0.56 0.00 0.00 36.38 34.30 1b1i s VAL 105 CO 0.02 0.00 -0.25 0.00 -0.31 0.00 0.00 175.10 174.56 1b1i s ALA 106 N -3.45 2.18 0.32 1.32 0.00 -0.71 -0.99 121.76 120.44 1b1i s ALA 106 Ca 0.32 -1.06 0.08 0.00 0.00 0.00 0.00 51.96 51.31 1b1i s ALA 106 Cb 0.04 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 1b1i s ALA 106 CO 0.17 0.44 0.15 0.00 0.00 0.00 0.00 175.76 176.52 1b1i s GLU 108 N -3.85 0.41 -1.66 0.00 2.02 0.23 -4.89 118.70 110.97 1b1i s GLU 108 Ca 0.37 1.01 -0.13 0.00 0.02 0.00 0.00 54.97 56.24 1b1i s GLU 108 Cb -0.04 0.24 0.12 0.00 0.10 0.00 0.00 34.13 34.55 1b1i s GLU 108 CO 0.23 -0.20 0.55 0.09 0.02 0.00 0.00 175.26 175.95 1b1i n ASN 109 N 4.89 -1.72 0.00 -0.19 3.02 -1.26 -1.00 115.26 119.01 1b1i n ASN 109 Ca -0.15 -1.11 0.00 0.00 -0.03 0.00 0.00 54.58 53.29 1b1i n ASN 109 Cb 0.52 -2.37 0.00 0.00 -0.61 0.00 0.00 39.78 37.32 1b1i n ASN 109 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1b1i n GLY 110 N -1.63 0.90 3.20 7.41 0.00 -1.26 -5.04 105.19 108.77 1b1i n GLY 110 Ca -0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 1b1i n GLY 110 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1b1i s LEU 111 N 0.00 2.13 0.28 0.99 1.43 -0.17 -4.77 118.68 118.57 1b1i s LEU 111 Ca 0.00 -0.45 -0.29 0.00 -1.03 0.00 0.00 54.13 52.36 1b1i s LEU 111 Cb 0.00 -0.87 -0.10 0.00 0.03 0.00 0.00 46.19 45.25 1b1i s LEU 111 CO 0.00 0.15 1.26 -2.16 0.23 0.00 0.00 176.35 175.83 1b1i s PRO 112 N -0.94 4.43 0.00 1.29 0.04 -1.26 -0.60 135.00 137.96 1b1i s PRO 112 Ca 0.06 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.17 1b1i s PRO 112 Cb -0.08 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.33 1b1i s PRO 112 CO 0.01 -0.11 0.10 1.33 0.04 0.00 0.00 177.00 178.37 1b1i n VAL 113 N 1.41 0.00 -3.67 -0.36 0.24 -0.29 -4.37 118.33 111.30 1b1i n VAL 113 Ca 0.01 -0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.17 1b1i n VAL 113 Cb 0.43 1.80 -0.08 0.00 -1.47 0.00 0.00 33.84 34.51 1b1i n VAL 113 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1b1i s HIS 114 N -0.00 -0.54 -0.13 6.34 5.65 -1.20 -4.80 115.29 120.60 1b1i s HIS 114 Ca 0.00 1.20 0.03 0.00 0.25 0.00 0.00 55.06 56.53 1b1i s HIS 114 Cb 0.00 0.22 0.01 0.00 -1.18 0.00 0.00 32.58 31.63 1b1i s HIS 114 CO 0.00 -0.36 -0.22 -1.17 -0.65 0.00 0.00 174.74 172.34 1b1i s LEU 115 N -0.25 2.14 -0.44 8.88 1.98 -1.26 -1.73 118.68 127.99 1b1i s LEU 115 Ca -0.04 -0.58 -0.28 0.00 -2.89 0.00 0.00 54.13 50.34 1b1i s LEU 115 Cb -0.03 -1.45 0.03 0.00 0.66 0.00 0.00 46.19 45.39 1b1i s LEU 115 CO 0.03 0.10 1.05 -0.62 -1.89 0.00 0.00 176.35 175.02 1b1i s ASP 116 N 0.72 6.64 0.23 3.68 2.15 -0.42 -4.91 116.67 124.77 1b1i s ASP 116 Ca -0.09 0.46 0.26 0.00 0.43 0.00 0.00 52.55 53.61 1b1i s ASP 116 Cb -0.16 -2.51 0.82 0.00 -0.30 0.00 0.00 42.92 40.76 1b1i s ASP 116 CO 0.00 -1.11 1.76 1.56 -0.17 0.00 0.00 175.17 177.22 1b1i h GLN 117 N 8.96 0.00 -0.74 4.34 1.08 -1.98 -3.35 115.11 123.42 1b1i h GLN 117 Ca -0.23 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.02 1b1i h GLN 117 Cb 1.07 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.45 1b1i h GLN 117 CO 1.07 0.00 0.49 0.66 -0.95 0.00 0.00 178.83 180.10 1b1i h SER 118 N 0.00 0.74 0.12 1.46 4.64 -1.96 -1.15 113.55 117.40 1b1i h SER 118 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1b1i h SER 118 Cb 0.70 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1b1i h SER 118 CO 0.00 0.50 0.00 2.30 -0.87 0.00 0.00 176.83 178.76 1b1i n ILE 119 N -4.46 0.19 0.48 0.95 -5.35 -1.26 -2.07 119.36 107.84 1b1i n ILE 119 Ca 0.10 0.05 0.06 0.00 -0.27 0.00 0.00 62.75 62.68 1b1i n ILE 119 Cb 0.16 -0.77 0.03 0.00 -1.74 0.00 0.00 39.64 37.32 1b1i n ILE 119 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1b1i n PHE 120 N -1.11 0.00 -2.92 4.28 3.72 -0.44 -4.93 117.46 116.06 1b1i n PHE 120 Ca 0.11 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.11 1b1i n PHE 120 Cb 0.09 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.59 1b1i n PHE 120 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1b1i s ARG 121 N -1.14 4.48 -0.77 -1.08 0.52 -0.88 -4.99 118.95 115.09 1b1i s ARG 121 Ca 0.12 1.08 0.03 0.00 -0.52 0.00 0.00 55.73 56.44 1b1i s ARG 121 Cb 0.09 -3.46 0.26 0.00 0.52 0.00 0.00 34.95 32.36 1b1i s ARG 121 CO 0.19 0.01 0.92 -2.13 0.02 0.00 0.00 175.30 174.31 1b1i n ARG 122 N 3.89 2.99 0.00 3.54 0.00 -1.26 -5.04 116.66 120.78 1b1i n ARG 122 Ca 0.02 -4.63 0.04 0.00 -0.00 0.00 0.00 57.85 53.27 1b1i n ARG 122 Cb 0.51 -2.33 0.24 0.00 0.00 0.00 0.00 32.46 30.88 1b1i n ARG 122 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28