#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tiy h HIS 3 N 0.00 -0.32 -0.49 1.20 3.86 -2.01 0.16 115.15 117.54 1tiy h HIS 3 Ca 0.00 0.08 -0.04 0.00 -1.16 0.00 0.00 60.37 59.25 1tiy h HIS 3 Cb 0.00 0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.75 1tiy h HIS 3 CO 0.00 -0.41 0.13 0.93 0.86 0.00 0.00 177.93 179.44 1tiy h GLU 4 N 0.01 0.78 -0.23 2.45 3.07 -2.04 -2.13 114.58 116.48 1tiy h GLU 4 Ca 0.51 -0.18 -0.08 0.00 -0.50 0.00 0.00 59.36 59.11 1tiy h GLU 4 Cb 0.90 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.69 1tiy h GLU 4 CO -0.95 0.75 -0.21 1.79 -1.40 0.00 0.00 179.01 178.98 1tiy h THR 5 N 0.67 1.25 -0.28 1.13 1.35 -1.18 0.26 112.91 116.11 1tiy h THR 5 Ca 0.16 -1.15 -0.09 0.00 -0.55 0.00 0.00 66.41 64.78 1tiy h THR 5 Cb 0.31 1.31 -0.01 0.00 -1.73 0.00 0.00 68.15 68.03 1tiy h THR 5 CO -0.00 0.36 -0.17 -0.26 -0.25 0.00 0.00 175.52 175.20 1tiy h PHE 6 N 0.38 0.71 -0.53 4.73 0.04 -1.03 0.14 116.94 121.38 1tiy h PHE 6 Ca 0.06 -0.19 -0.09 0.00 2.80 0.00 0.00 57.97 60.55 1tiy h PHE 6 Cb 0.59 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.56 1tiy h PHE 6 CO 0.02 0.87 -0.04 1.25 -0.60 0.00 0.00 178.31 179.81 1tiy h LEU 7 N 0.34 0.94 -1.06 1.54 5.85 -1.20 -1.63 115.31 120.09 1tiy h LEU 7 Ca 0.06 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.49 1tiy h LEU 7 Cb 0.71 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 1tiy h LEU 7 CO 0.05 1.04 0.63 0.11 -0.34 0.00 0.00 178.44 179.93 1tiy h LYS 8 N 0.82 1.19 -0.65 1.25 1.57 -0.29 -1.66 116.57 118.80 1tiy h LYS 8 Ca 0.14 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 1tiy h LYS 8 Cb 0.58 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 1tiy h LYS 8 CO 0.03 0.79 0.18 -0.09 -0.57 0.00 0.00 179.45 179.79 1tiy h ARG 9 N 1.23 1.03 -0.95 3.15 9.65 -0.21 -0.56 114.38 127.72 1tiy h ARG 9 Ca 0.38 -0.24 0.00 0.00 -1.10 0.00 0.00 59.98 59.03 1tiy h ARG 9 Cb -0.01 -0.14 -0.05 0.00 -1.39 0.00 0.00 29.97 28.38 1tiy h ARG 9 CO -0.11 0.92 0.60 0.00 2.80 0.00 0.00 179.97 184.17 1tiy h ALA 10 N 1.07 1.20 -0.30 2.80 0.00 -0.52 -0.32 119.26 123.21 1tiy h ALA 10 Ca 0.21 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1tiy h ALA 10 Cb 0.33 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1tiy h ALA 10 CO -0.00 0.63 -0.25 0.28 0.00 0.00 0.00 179.25 179.91 1tiy h VAL 11 N 1.30 1.27 -0.02 0.00 2.07 -0.87 -0.46 116.25 119.54 1tiy h VAL 11 Ca 0.34 -1.32 -0.10 0.00 0.82 0.00 0.00 66.70 66.45 1tiy h VAL 11 Cb -0.10 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1tiy h VAL 11 CO -0.07 0.43 -0.45 0.74 0.02 0.00 0.00 177.57 178.24 1tiy h THR 12 N 0.51 1.32 -0.05 2.57 2.02 -0.36 -2.03 112.91 116.89 1tiy h THR 12 Ca 0.07 -1.54 -0.21 0.00 0.77 0.00 0.00 66.41 65.50 1tiy h THR 12 Cb 0.71 1.81 -0.00 0.00 -1.74 0.00 0.00 68.15 68.93 1tiy h THR 12 CO 0.05 0.44 -0.83 -0.07 0.37 0.00 0.00 175.52 175.49 1tiy h LEU 13 N 0.03 0.55 -1.11 2.58 3.38 -0.65 -2.54 115.31 117.55 1tiy h LEU 13 Ca -0.00 -0.40 0.04 0.00 0.09 0.00 0.00 57.88 57.61 1tiy h LEU 13 Cb 0.80 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 1tiy h LEU 13 CO 0.06 1.17 0.61 0.00 0.09 0.00 0.00 178.44 180.36 1tiy h ALA 14 N 0.81 1.42 0.13 1.53 0.00 -0.42 0.84 119.26 123.57 1tiy h ALA 14 Ca -0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1tiy h ALA 14 Cb 1.44 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1tiy h ALA 14 CO 0.15 0.48 -0.06 0.00 0.00 0.00 0.00 179.25 179.82 1tiy h GLU 16 N -0.88 0.50 0.29 0.00 5.08 -1.29 -0.43 114.58 117.86 1tiy h GLU 16 Ca -0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1tiy h GLU 16 Cb 0.54 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1tiy h GLU 16 CO 0.03 0.33 -0.30 0.78 -1.00 0.00 0.00 179.01 178.85 1tiy h GLY 17 N 0.52 -0.68 0.61 -3.84 0.00 -0.81 0.13 103.07 99.00 1tiy h GLY 17 Ca 0.61 0.34 -0.01 0.00 0.00 0.00 0.00 47.33 48.27 1tiy h GLY 17 CO -0.37 -0.26 -0.44 -2.08 0.00 0.00 0.00 176.54 173.39 1tiy h VAL 18 N -0.62 0.12 -0.23 4.60 2.07 -1.00 -2.28 116.25 118.92 1tiy h VAL 18 Ca -0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.55 1tiy h VAL 18 Cb 0.57 0.12 -0.07 0.00 -1.52 0.00 0.00 31.29 30.39 1tiy h VAL 18 CO -0.06 0.00 -0.49 0.78 0.02 0.00 0.00 177.57 177.82 1tiy h ASN 19 N -0.93 -1.58 0.00 0.57 -0.26 -1.04 -0.14 115.58 112.21 1tiy h ASN 19 Ca -0.05 0.20 0.00 0.00 -0.56 0.00 0.00 56.30 55.89 1tiy h ASN 19 Cb 0.80 0.64 0.00 0.00 -1.06 0.00 0.00 38.32 38.70 1tiy h ASN 19 CO -0.04 -0.44 0.00 0.00 -1.06 0.00 0.00 177.43 175.90 1tiy n ALA 20 N -3.01 1.74 -1.68 -0.83 0.00 0.45 -4.77 120.51 112.40 1tiy n ALA 20 Ca -0.04 -0.04 -0.16 0.00 0.00 0.00 0.00 53.44 53.20 1tiy n ALA 20 Cb 0.37 -1.10 -0.06 0.00 0.00 0.00 0.00 19.45 18.66 1tiy n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tiy n GLY 21 N -0.59 1.18 0.13 0.00 0.00 -0.06 -4.87 105.19 100.99 1tiy n GLY 21 Ca 0.05 -0.23 0.13 0.00 0.00 0.00 0.00 46.02 45.97 1tiy n GLY 21 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1tiy n ILE 22 N -2.88 0.00 -3.05 -0.61 -5.35 -0.87 -4.96 119.36 101.65 1tiy n ILE 22 Ca -0.17 -0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.24 1tiy n ILE 22 Cb 0.57 0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.57 1tiy n ILE 22 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1tiy n GLY 23 N 1.36 -0.66 3.66 3.28 0.00 -1.19 -4.18 105.19 107.46 1tiy n GLY 23 Ca 0.12 -1.37 -0.29 0.00 0.00 0.00 0.00 46.02 44.48 1tiy n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1tiy s GLY 24 N 0.00 1.57 -0.92 -0.02 0.00 -1.10 -3.60 107.32 103.26 1tiy s GLY 24 Ca 0.00 -0.29 -0.11 0.00 0.00 0.00 0.00 44.72 44.32 1tiy s GLY 24 CO 0.00 0.31 2.09 -1.55 0.00 0.00 0.00 173.10 173.95 1tiy n PRO 25 N -4.22 2.00 -3.72 2.90 -0.04 -1.26 -4.26 135.00 126.39 1tiy n PRO 25 Ca 0.05 -1.64 -0.13 0.00 -0.04 0.00 0.00 63.50 61.74 1tiy n PRO 25 Cb 0.57 -2.64 -0.13 0.00 -0.04 0.00 0.00 33.50 31.26 1tiy n PRO 25 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1tiy s PHE 26 N 3.83 -0.33 0.06 0.54 0.08 -1.26 -4.95 117.98 115.96 1tiy s PHE 26 Ca 0.46 0.79 0.02 0.00 0.12 0.00 0.00 56.93 58.32 1tiy s PHE 26 Cb 0.12 0.03 -0.03 0.00 -0.57 0.00 0.00 43.02 42.57 1tiy s PHE 26 CO 0.01 -0.24 -0.07 0.20 -0.10 0.00 0.00 175.22 175.01 1tiy s GLY 27 N 1.37 0.57 -0.04 4.36 0.00 -1.25 -2.13 107.32 110.19 1tiy s GLY 27 Ca -0.08 -0.92 -0.21 0.00 0.00 0.00 0.00 44.72 43.51 1tiy s GLY 27 CO -0.08 -0.99 0.45 0.00 0.00 0.00 0.00 173.10 172.48 1tiy s ALA 28 N -2.02 -1.16 0.05 3.20 0.00 -0.38 -0.26 121.76 121.19 1tiy s ALA 28 Ca -0.04 0.77 0.02 0.00 0.00 0.00 0.00 51.96 52.71 1tiy s ALA 28 Cb -0.06 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 1tiy s ALA 28 CO -0.01 -0.29 -0.08 0.14 0.00 0.00 0.00 175.76 175.52 1tiy s VAL 29 N -1.12 0.59 -0.08 0.00 -7.23 0.57 -0.69 120.40 112.44 1tiy s VAL 29 Ca -0.11 -1.27 0.04 0.00 -1.81 0.00 0.00 61.98 58.83 1tiy s VAL 29 Cb -0.03 -0.85 0.00 0.00 0.56 0.00 0.00 36.38 36.06 1tiy s VAL 29 CO 0.06 -0.48 -0.21 -0.63 -0.31 0.00 0.00 175.10 173.53 1tiy s ILE 30 N -1.85 1.77 0.06 -0.62 1.01 -1.01 0.25 121.20 120.82 1tiy s ILE 30 Ca -0.05 -0.87 0.08 0.00 0.00 0.00 0.00 60.65 59.82 1tiy s ILE 30 Cb -0.07 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.84 1tiy s ILE 30 CO -0.01 0.50 -0.23 0.68 0.00 0.00 0.00 174.94 175.88 1tiy s VAL 31 N 0.31 1.86 -0.04 2.92 -7.23 -0.30 0.08 120.40 118.00 1tiy s VAL 31 Ca -0.14 -1.37 0.01 0.00 -1.81 0.00 0.00 61.98 58.67 1tiy s VAL 31 Cb -0.16 -1.63 0.02 0.00 0.56 0.00 0.00 36.38 35.17 1tiy s VAL 31 CO 0.06 0.18 -0.04 -0.75 -0.31 0.00 0.00 175.10 174.25 1tiy s LYS 32 N -1.43 0.76 -1.36 4.82 2.20 0.86 -1.60 119.74 124.00 1tiy s LYS 32 Ca 0.09 -0.09 -0.01 0.00 -0.36 0.00 0.00 55.97 55.60 1tiy s LYS 32 Cb -0.09 -0.77 0.01 0.00 -1.51 0.00 0.00 37.83 35.46 1tiy s LYS 32 CO 0.03 -0.07 0.63 -0.25 -0.36 0.00 0.00 175.35 175.33 1tiy n ASP 33 N 3.98 -1.12 0.00 1.43 8.00 -1.26 -1.42 116.55 126.15 1tiy n ASP 33 Ca -0.25 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.37 1tiy n ASP 33 Cb 0.51 -3.72 0.00 0.00 -0.02 0.00 0.00 41.12 37.89 1tiy n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1tiy n GLY 34 N -1.70 0.82 3.55 0.44 0.00 -1.26 -4.98 105.19 102.06 1tiy n GLY 34 Ca -0.28 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 1tiy n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tiy s ALA 35 N -2.37 2.89 -0.15 4.61 0.00 -0.51 -4.91 121.76 121.32 1tiy s ALA 35 Ca 0.00 -1.10 -0.29 0.00 0.00 0.00 0.00 51.96 50.57 1tiy s ALA 35 Cb 0.00 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 22.12 1tiy s ALA 35 CO 0.00 0.61 1.25 -1.50 0.00 0.00 0.00 175.76 176.11 1tiy s ILE 36 N -1.00 4.29 -0.12 0.00 1.10 -1.26 -0.10 121.20 124.11 1tiy s ILE 36 Ca 0.17 1.57 0.15 0.00 -0.51 0.00 0.00 60.65 62.03 1tiy s ILE 36 Cb -0.11 -4.01 -0.24 0.00 0.15 0.00 0.00 42.46 38.25 1tiy s ILE 36 CO 0.08 -0.12 0.40 -0.38 -2.11 0.00 0.00 174.94 172.81 1tiy n ILE 37 N 5.27 1.48 -3.50 2.00 2.08 0.11 -4.93 119.36 121.87 1tiy n ILE 37 Ca 0.13 -0.82 -0.14 0.00 0.56 0.00 0.00 62.75 62.48 1tiy n ILE 37 Cb 0.45 -0.76 -0.04 0.00 -0.75 0.00 0.00 39.64 38.54 1tiy n ILE 37 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1tiy s ALA 38 N -2.57 -1.76 0.02 -1.39 0.00 -1.20 -4.75 121.76 110.11 1tiy s ALA 38 Ca -0.07 1.14 0.06 0.00 0.00 0.00 0.00 51.96 53.09 1tiy s ALA 38 Cb 0.07 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.31 1tiy s ALA 38 CO 0.83 -0.49 -0.18 -1.21 0.00 0.00 0.00 175.76 174.71 1tiy s GLU 39 N -1.98 1.28 0.09 0.00 2.02 -1.26 -2.40 118.70 116.45 1tiy s GLU 39 Ca -0.05 -0.75 0.04 0.00 0.02 0.00 0.00 54.97 54.23 1tiy s GLU 39 Cb -0.00 -1.30 -0.03 0.00 0.10 0.00 0.00 34.13 32.89 1tiy s GLU 39 CO 0.01 0.34 -0.11 0.20 0.02 0.00 0.00 175.26 175.72 1tiy s GLY 40 N -0.83 0.86 0.05 -1.39 0.00 0.14 -4.43 107.32 101.71 1tiy s GLY 40 Ca 0.06 -1.12 -0.09 0.00 0.00 0.00 0.00 44.72 43.56 1tiy s GLY 40 CO 0.01 -1.18 0.18 1.20 0.00 0.00 0.00 173.10 173.30 1tiy s GLN 41 N -2.43 0.72 -0.29 2.90 -0.21 -1.26 -1.25 119.66 117.84 1tiy s GLN 41 Ca 0.03 -0.73 -0.29 0.00 0.02 0.00 0.00 55.36 54.39 1tiy s GLN 41 Cb -0.05 0.29 -0.01 0.00 1.00 0.00 0.00 33.01 34.24 1tiy s GLN 41 CO 0.01 -0.21 1.42 1.21 -2.12 0.00 0.00 175.29 175.60 1tiy s ASN 42 N -2.30 6.53 -0.19 5.90 3.84 -0.90 -3.71 114.94 124.11 1tiy s ASN 42 Ca -0.02 1.29 0.18 0.00 0.21 0.00 0.00 52.86 54.51 1tiy s ASN 42 Cb 0.01 -2.54 0.46 0.00 -0.55 0.00 0.00 41.25 38.63 1tiy s ASN 42 CO -0.06 -1.19 1.16 -0.46 -2.79 0.00 0.00 177.10 173.77 1tiy n ASN 43 N 8.07 2.17 -0.12 -4.21 6.94 -0.95 -2.70 115.26 124.46 1tiy n ASN 43 Ca 0.16 -2.73 -0.06 0.00 -0.02 0.00 0.00 54.58 51.93 1tiy n ASN 43 Cb 0.46 -0.41 0.02 0.00 -2.36 0.00 0.00 39.78 37.50 1tiy n ASN 43 CO 0.00 0.00 0.00 -0.37 -1.03 0.00 0.00 177.26 175.86 1tiy h VAL 44 N 4.42 0.94 -0.24 3.53 -1.51 -1.74 -2.48 116.25 119.16 1tiy h VAL 44 Ca -0.03 -0.12 -0.12 0.00 -1.23 0.00 0.00 66.70 65.20 1tiy h VAL 44 Cb 1.45 0.55 -0.00 0.00 -2.13 0.00 0.00 31.29 31.16 1tiy h VAL 44 CO 0.25 0.07 -0.32 0.71 -1.23 0.00 0.00 177.57 177.05 1tiy h THR 45 N 0.36 1.32 0.00 7.19 1.35 -1.89 -2.26 112.91 118.97 1tiy h THR 45 Ca 0.17 -1.51 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 1tiy h THR 45 Cb 0.11 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 1tiy h THR 45 CO -0.15 0.47 0.00 1.07 -0.25 0.00 0.00 175.52 176.67 1tiy n THR 46 N -4.28 0.29 -0.54 6.82 5.66 -1.19 -3.60 114.28 117.45 1tiy n THR 46 Ca -0.05 0.07 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 1tiy n THR 46 Cb 0.49 -0.67 0.00 0.00 -1.55 0.00 0.00 70.33 68.59 1tiy n THR 46 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1tiy n SER 47 N -1.36 0.86 -3.94 1.09 3.41 -0.94 -5.02 113.62 107.72 1tiy n SER 47 Ca 0.09 -1.40 -0.26 0.00 -0.26 0.00 0.00 58.87 57.05 1tiy n SER 47 Cb 0.22 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.16 1tiy n SER 47 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1tiy n ASN 48 N -0.20 -0.90 -3.58 4.04 3.02 -0.88 -4.96 115.26 111.79 1tiy n ASN 48 Ca 0.00 -0.97 -0.28 0.00 -0.03 0.00 0.00 54.58 53.30 1tiy n ASN 48 Cb 0.35 -3.22 -0.16 0.00 -0.61 0.00 0.00 39.78 36.14 1tiy n ASN 48 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1tiy s ASP 49 N -4.23 3.17 0.00 6.41 -1.08 -1.03 -5.00 116.67 114.92 1tiy s ASP 49 Ca 0.10 -1.08 0.17 0.00 -0.52 0.00 0.00 52.55 51.22 1tiy s ASP 49 Cb -0.05 -0.36 0.98 0.00 -1.46 0.00 0.00 42.92 42.02 1tiy s ASP 49 CO 0.88 -0.40 1.48 -0.81 0.52 0.00 0.00 175.17 176.83 1tiy n PRO 50 N 5.22 0.42 0.00 4.34 -0.04 -1.26 -1.58 135.00 142.10 1tiy n PRO 50 Ca -0.06 0.05 0.12 0.00 -0.04 0.00 0.00 63.50 63.57 1tiy n PRO 50 Cb 0.44 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.50 1tiy n PRO 50 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1tiy n THR 51 N -1.12 0.00 -1.07 0.52 -2.24 -1.26 -4.70 114.28 104.40 1tiy n THR 51 Ca 0.11 -0.48 -0.30 0.00 -2.27 0.00 0.00 64.05 61.11 1tiy n THR 51 Cb 0.09 1.48 -0.04 0.00 -2.10 0.00 0.00 70.33 69.76 1tiy n THR 51 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tiy n ALA 52 N 1.23 6.45 -2.16 6.98 0.00 -0.62 -4.69 120.51 127.71 1tiy n ALA 52 Ca 0.13 -2.80 -0.27 0.00 0.00 0.00 0.00 53.44 50.50 1tiy n ALA 52 Cb 0.58 -3.12 0.01 0.00 0.00 0.00 0.00 19.45 16.93 1tiy n ALA 52 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1tiy s HIS 53 N 2.43 3.45 0.11 0.00 3.76 -1.26 -2.23 115.29 121.55 1tiy s HIS 53 Ca 0.59 0.80 -0.32 0.00 -0.15 0.00 0.00 55.06 55.98 1tiy s HIS 53 Cb 0.17 -2.51 -0.12 0.00 1.11 0.00 0.00 32.58 31.23 1tiy s HIS 53 CO -0.04 -0.53 1.52 0.00 -0.85 0.00 0.00 174.74 174.84 1tiy h ALA 54 N 0.02 -0.85 -0.75 -1.40 0.00 -1.81 0.14 119.26 114.61 1tiy h ALA 54 Ca -0.46 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.46 1tiy h ALA 54 Cb 1.22 1.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.98 1tiy h ALA 54 CO 0.61 -1.05 0.45 1.05 0.00 0.00 0.00 179.25 180.32 1tiy h GLU 55 N -0.51 0.82 -0.41 0.00 9.09 -1.89 0.13 114.58 121.81 1tiy h GLU 55 Ca 0.04 -0.05 -0.02 0.00 0.05 0.00 0.00 59.36 59.38 1tiy h GLU 55 Cb 0.62 -0.19 -0.02 0.00 -1.65 0.00 0.00 28.75 27.52 1tiy h GLU 55 CO -0.45 0.55 0.18 0.28 0.05 0.00 0.00 179.01 179.61 1tiy h VAL 56 N 0.85 1.19 -0.06 -1.06 2.07 -1.75 -2.26 116.25 115.24 1tiy h VAL 56 Ca 0.32 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1tiy h VAL 56 Cb 0.12 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1tiy h VAL 56 CO -0.15 0.21 0.01 0.74 0.02 0.00 0.00 177.57 178.40 1tiy h THR 57 N 0.53 1.20 -0.96 2.57 2.02 -0.20 -2.55 112.91 115.52 1tiy h THR 57 Ca 0.14 -0.60 0.15 0.00 0.77 0.00 0.00 66.41 66.87 1tiy h THR 57 Cb 0.17 1.48 -0.08 0.00 -1.74 0.00 0.00 68.15 67.98 1tiy h THR 57 CO -0.01 0.17 0.61 0.00 0.37 0.00 0.00 175.52 176.65 1tiy h ALA 58 N 0.79 1.71 0.00 6.16 0.00 -0.67 -1.91 119.26 125.35 1tiy h ALA 58 Ca 0.02 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1tiy h ALA 58 Cb 0.25 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1tiy h ALA 58 CO 0.00 0.01 -0.70 -0.84 0.00 0.00 0.00 179.25 177.72 1tiy h ILE 59 N 0.80 1.12 -0.27 0.00 -0.00 -1.27 -2.16 117.51 115.73 1tiy h ILE 59 Ca 0.50 -2.60 -0.05 0.00 -0.00 0.00 0.00 64.86 62.71 1tiy h ILE 59 Cb 0.71 2.55 -0.01 0.00 -0.00 0.00 0.00 36.82 40.06 1tiy h ILE 59 CO -0.26 0.64 -0.03 0.03 -0.00 0.00 0.00 178.15 178.53 1tiy h ARG 60 N 0.00 0.49 -0.34 0.16 3.08 -0.95 -0.79 114.38 116.04 1tiy h ARG 60 Ca -0.02 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 1tiy h ARG 60 Cb 1.52 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.52 1tiy h ARG 60 CO 0.09 0.67 0.17 0.87 -1.07 0.00 0.00 179.97 180.70 1tiy h LYS 61 N 0.26 0.48 -0.01 0.04 1.57 -1.38 -1.93 116.57 115.60 1tiy h LYS 61 Ca 0.07 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1tiy h LYS 61 Cb 0.47 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1tiy h LYS 61 CO 0.02 0.42 -0.04 0.00 -0.57 0.00 0.00 179.45 179.28 1tiy h ALA 62 N 1.03 -0.03 -0.93 3.86 0.00 -1.29 0.29 119.26 122.18 1tiy h ALA 62 Ca 0.12 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1tiy h ALA 62 Cb 0.09 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 1tiy h ALA 62 CO -0.02 -0.53 0.60 0.00 0.00 0.00 0.00 179.25 179.30 1tiy h LYS 64 N 1.04 -0.05 -0.34 0.00 1.57 -0.70 0.15 116.57 118.23 1tiy h LYS 64 Ca 0.41 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 59.27 1tiy h LYS 64 Cb 0.24 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.49 1tiy h LYS 64 CO -0.16 0.19 -0.14 0.28 -0.57 0.00 0.00 179.45 179.04 1tiy h VAL 65 N -0.28 0.54 0.00 0.50 2.07 -0.11 -0.55 116.25 118.42 1tiy h VAL 65 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1tiy h VAL 65 Cb 0.25 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1tiy h VAL 65 CO 0.01 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.78 1tiy n LEU 66 N -5.33 0.00 -3.15 2.57 4.77 -0.02 -4.90 117.00 110.94 1tiy n LEU 66 Ca 0.01 0.16 -0.23 0.00 -0.03 0.00 0.00 56.01 55.92 1tiy n LEU 66 Cb 0.24 -0.16 0.02 0.00 -2.33 0.00 0.00 43.42 41.19 1tiy n LEU 66 CO 0.15 -0.02 -0.01 0.61 -1.33 0.00 0.00 177.39 176.80 1tiy n GLY 67 N 0.88 -0.51 3.33 -0.72 0.00 0.41 -4.97 105.19 103.60 1tiy n GLY 67 Ca 0.16 0.12 -0.18 0.00 0.00 0.00 0.00 46.02 46.13 1tiy n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tiy s ALA 68 N -3.10 1.85 -0.08 4.61 0.00 -0.59 -5.03 121.76 119.41 1tiy s ALA 68 Ca 0.34 -1.79 0.12 0.00 0.00 0.00 0.00 51.96 50.63 1tiy s ALA 68 Cb -0.16 1.11 0.18 0.00 0.00 0.00 0.00 23.12 24.25 1tiy s ALA 68 CO 0.42 -0.48 1.08 2.48 0.00 0.00 0.00 175.76 179.26 1tiy n TYR 69 N -0.53 0.00 -3.89 0.00 0.18 -1.26 -4.45 117.16 107.20 1tiy n TYR 69 Ca 0.00 -0.78 -0.14 0.00 1.88 0.00 0.00 57.90 58.86 1tiy n TYR 69 Cb 0.66 -0.11 -0.15 0.00 -0.38 0.00 0.00 39.34 39.36 1tiy n TYR 69 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1tiy s GLN 70 N -2.12 0.08 -0.40 -3.48 2.00 -1.26 -4.77 119.66 109.72 1tiy s GLN 70 Ca 0.20 0.03 0.05 0.00 -2.00 0.00 0.00 55.36 53.64 1tiy s GLN 70 Cb 0.18 -0.17 0.47 0.00 0.80 0.00 0.00 33.01 34.29 1tiy s GLN 70 CO 0.02 -0.04 1.50 1.28 -0.50 0.00 0.00 175.29 177.55 1tiy n LEU 71 N 3.44 5.48 0.16 3.68 4.77 0.85 -4.85 117.00 130.53 1tiy n LEU 71 Ca -0.17 -4.35 0.11 0.00 -0.03 0.00 0.00 56.01 51.56 1tiy n LEU 71 Cb 0.56 -0.60 0.25 0.00 -2.33 0.00 0.00 43.42 41.31 1tiy n LEU 71 CO 0.25 1.70 1.10 -2.24 -1.33 0.00 0.00 177.39 176.86 1tiy h ASP 72 N 1.79 0.00 -0.75 -1.43 3.04 -1.65 -1.55 116.42 115.87 1tiy h ASP 72 Ca 0.40 0.00 -0.46 0.00 -3.24 0.00 0.00 57.03 53.73 1tiy h ASP 72 Cb 1.39 0.00 -0.42 0.00 -1.04 0.00 0.00 39.33 39.27 1tiy h ASP 72 CO 0.89 0.00 -0.92 -0.67 -2.04 0.00 0.00 179.24 176.50 1tiy n ASP 73 N -2.82 3.76 -4.32 4.15 -0.08 -1.26 -4.03 116.55 111.95 1tiy n ASP 73 Ca 0.07 -3.20 -0.17 0.00 -1.51 0.00 0.00 54.79 49.98 1tiy n ASP 73 Cb 1.06 -0.40 -0.10 0.00 2.34 0.00 0.00 41.12 44.02 1tiy n ASP 73 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1tiy s ILE 75 N -3.36 2.13 -0.20 0.00 1.01 -0.63 -0.30 121.20 119.85 1tiy s ILE 75 Ca 0.26 -1.15 -0.05 0.00 0.00 0.00 0.00 60.65 59.71 1tiy s ILE 75 Cb 0.05 -1.76 -0.02 0.00 0.01 0.00 0.00 42.46 40.74 1tiy s ILE 75 CO 0.07 0.53 -0.00 -0.22 0.00 0.00 0.00 174.94 175.32 1tiy s LEU 76 N -0.76 3.23 -0.22 2.97 2.96 -0.95 -1.15 118.68 124.76 1tiy s LEU 76 Ca 0.11 -0.22 -0.03 0.00 -0.22 0.00 0.00 54.13 53.76 1tiy s LEU 76 Cb -0.10 -1.82 -0.00 0.00 0.50 0.00 0.00 46.19 44.77 1tiy s LEU 76 CO -0.00 0.05 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.71 1tiy s TYR 77 N 1.07 2.95 -0.02 5.38 1.51 0.14 -0.50 117.35 127.89 1tiy s TYR 77 Ca 0.02 -1.09 0.06 0.00 -1.01 0.00 0.00 57.07 55.05 1tiy s TYR 77 Cb -0.14 -2.08 -0.02 0.00 -0.11 0.00 0.00 41.96 39.61 1tiy s TYR 77 CO 0.01 -0.60 -0.20 -0.08 -1.11 0.00 0.00 175.55 173.57 1tiy s THR 78 N 1.44 1.58 0.63 -0.71 -1.32 0.06 -0.32 115.64 117.00 1tiy s THR 78 Ca 0.05 -0.85 0.35 0.00 -1.21 0.00 0.00 61.69 60.02 1tiy s THR 78 Cb -0.14 -1.31 0.38 0.00 -1.51 0.00 0.00 72.50 69.91 1tiy s THR 78 CO -0.05 0.45 2.16 0.77 -2.21 0.00 0.00 174.62 175.74 1tiy h SER 79 N 5.66 0.00 -5.10 8.08 4.64 -0.89 -3.20 113.55 122.73 1tiy h SER 79 Ca -0.38 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.87 1tiy h SER 79 Cb 1.14 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.10 1tiy h SER 79 CO 0.48 0.00 -0.16 0.00 -0.87 0.00 0.00 176.83 176.28 1tiy n GLU 81 N -0.18 1.84 -2.17 0.00 2.13 -0.29 -4.85 120.64 117.12 1tiy n GLU 81 Ca -0.15 0.65 -0.38 0.00 0.66 0.00 0.00 57.16 57.93 1tiy n GLU 81 Cb 0.63 -2.22 -0.01 0.00 0.27 0.00 0.00 31.44 30.11 1tiy n GLU 81 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 1tiy s PRO 82 N -0.93 3.91 0.93 5.31 0.02 -1.26 -4.79 135.00 138.18 1tiy s PRO 82 Ca 0.64 1.97 -0.11 0.00 0.02 0.00 0.00 61.00 63.52 1tiy s PRO 82 Cb -0.66 -2.63 0.15 0.00 0.02 0.00 0.00 34.50 31.38 1tiy s PRO 82 CO 0.55 -0.48 1.10 0.00 -0.33 0.00 0.00 177.00 177.84 1tiy n PRO 84 N -4.13 0.06 0.00 0.00 -0.02 -1.26 -0.97 135.00 128.67 1tiy n PRO 84 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1tiy n PRO 84 Cb 0.53 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 1tiy n PRO 84 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1tiy h LEU 87 N 0.00 0.85 -0.67 0.00 3.38 -1.33 0.13 115.31 117.67 1tiy h LEU 87 Ca 0.00 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1tiy h LEU 87 Cb 0.00 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1tiy h LEU 87 CO 0.00 0.87 0.36 1.23 0.09 0.00 0.00 178.44 180.99 1tiy h GLY 88 N 0.79 1.00 1.63 0.83 0.00 -1.31 0.77 103.07 106.78 1tiy h GLY 88 Ca 0.17 -0.46 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 1tiy h GLY 88 CO 0.00 0.44 -0.01 0.00 0.00 0.00 0.00 176.54 176.97 1tiy h ALA 89 N 1.18 1.41 -0.26 3.60 0.00 -1.71 -1.52 119.26 121.97 1tiy h ALA 89 Ca 0.24 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1tiy h ALA 89 Cb 0.05 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1tiy h ALA 89 CO -0.04 0.41 -0.35 0.82 0.00 0.00 0.00 179.25 180.10 1tiy h ILE 90 N 0.45 1.31 0.00 0.00 2.04 0.06 0.16 117.51 121.53 1tiy h ILE 90 Ca 0.10 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.42 1tiy h ILE 90 Cb 0.32 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 1tiy h ILE 90 CO 0.01 0.49 0.00 1.88 0.00 0.00 0.00 178.15 180.53 1tiy h TYR 91 N 0.41 0.00 0.04 1.37 -1.99 -0.34 0.46 116.97 116.92 1tiy h TYR 91 Ca 0.03 0.00 -0.34 0.00 2.00 0.00 0.00 58.73 60.42 1tiy h TYR 91 Cb 0.93 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.62 1tiy h TYR 91 CO 0.08 0.00 -1.99 0.91 -0.00 0.00 0.00 178.16 177.16 1tiy n TRP 92 N -2.91 0.83 0.06 4.88 5.03 -0.62 -4.09 117.44 120.62 1tiy n TRP 92 Ca 0.00 0.24 -0.09 0.00 3.03 0.00 0.00 57.50 60.69 1tiy n TRP 92 Cb 0.26 -1.13 0.05 0.00 -1.03 0.00 0.00 31.31 29.46 1tiy n TRP 92 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1tiy h ALA 93 N 0.59 0.66 -5.43 6.99 0.00 -0.33 -3.46 119.26 118.28 1tiy h ALA 93 Ca -0.40 -0.60 -0.26 0.00 0.00 0.00 0.00 54.91 53.65 1tiy h ALA 93 Cb 2.04 -0.07 0.19 0.00 0.00 0.00 0.00 17.79 19.95 1tiy h ALA 93 CO 0.06 0.76 -0.82 -2.13 0.00 0.00 0.00 179.25 177.12 1tiy n ARG 94 N -3.84 -3.11 -1.93 0.00 0.63 0.16 -0.10 116.66 108.47 1tiy n ARG 94 Ca -0.04 0.85 -0.30 0.00 -0.92 0.00 0.00 57.85 57.44 1tiy n ARG 94 Cb 0.69 -5.75 0.05 0.00 0.45 0.00 0.00 32.46 27.90 1tiy n ARG 94 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1tiy s PRO 95 N -4.56 2.71 0.12 -0.14 0.04 -1.26 -2.72 135.00 129.19 1tiy s PRO 95 Ca 0.35 0.36 -0.28 0.00 0.04 0.00 0.00 61.00 61.47 1tiy s PRO 95 Cb -0.05 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.40 1tiy s PRO 95 CO 0.72 -1.11 1.61 0.87 0.04 0.00 0.00 177.00 179.14 1tiy h LYS 96 N -0.68 -0.48 0.00 4.56 1.57 -0.79 -3.47 116.57 117.27 1tiy h LYS 96 Ca -0.45 0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.26 1tiy h LYS 96 Cb 1.27 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.67 1tiy h LYS 96 CO 0.64 -0.32 0.14 0.00 -0.57 0.00 0.00 179.45 179.34 1tiy n ALA 97 N -2.76 -1.25 -3.49 3.86 0.00 -1.25 -5.07 120.51 110.56 1tiy n ALA 97 Ca -0.05 -1.28 -0.12 0.00 0.00 0.00 0.00 53.44 51.99 1tiy n ALA 97 Cb 0.33 1.02 -0.12 0.00 0.00 0.00 0.00 19.45 20.69 1tiy n ALA 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1tiy s VAL 98 N -2.36 -0.02 0.15 0.00 0.11 -1.26 -2.24 120.40 114.79 1tiy s VAL 98 Ca 0.18 0.07 0.08 0.00 -2.93 0.00 0.00 61.98 59.38 1tiy s VAL 98 Cb -0.03 -0.46 -0.04 0.00 -1.53 0.00 0.00 36.38 34.31 1tiy s VAL 98 CO 0.14 0.03 -0.08 -0.36 -3.33 0.00 0.00 175.10 171.50 1tiy s PHE 99 N 0.81 2.71 -0.08 1.54 0.40 0.35 -4.99 117.98 118.74 1tiy s PHE 99 Ca -0.05 -0.18 -0.25 0.00 -0.60 0.00 0.00 56.93 55.84 1tiy s PHE 99 Cb -0.06 -1.35 0.06 0.00 0.51 0.00 0.00 43.02 42.17 1tiy s PHE 99 CO -0.06 0.48 0.58 1.52 0.70 0.00 0.00 175.22 178.45 1tiy s TYR 100 N -1.54 -0.55 0.00 0.36 -0.85 -1.26 -0.76 117.35 112.75 1tiy s TYR 100 Ca 0.24 1.03 0.00 0.00 -0.52 0.00 0.00 57.07 57.82 1tiy s TYR 100 Cb -0.10 0.30 0.00 0.00 0.38 0.00 0.00 41.96 42.55 1tiy s TYR 100 CO 0.15 -0.51 0.00 0.00 -1.52 0.00 0.00 175.55 173.68 1tiy n ALA 101 N 1.34 0.00 -1.66 9.51 0.00 -1.21 -4.97 120.51 123.53 1tiy n ALA 101 Ca -0.19 -0.04 -0.37 0.00 0.00 0.00 0.00 53.44 52.85 1tiy n ALA 101 Cb 0.57 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.09 1tiy n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tiy s ALA 102 N -4.35 2.31 0.43 0.00 0.00 -0.92 -4.88 121.76 114.35 1tiy s ALA 102 Ca 0.00 1.18 0.07 0.00 0.00 0.00 0.00 51.96 53.21 1tiy s ALA 102 Cb 0.00 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 1tiy s ALA 102 CO 0.00 -1.69 0.34 -1.21 0.00 0.00 0.00 175.76 173.20 1tiy s GLU 103 N -3.47 2.44 0.48 0.00 2.02 -1.26 -1.14 118.70 117.77 1tiy s GLU 103 Ca 0.82 -1.64 0.30 0.00 0.02 0.00 0.00 54.97 54.47 1tiy s GLU 103 Cb -0.37 -2.27 1.65 0.00 0.10 0.00 0.00 34.13 33.24 1tiy s GLU 103 CO 0.41 -0.22 1.92 1.12 0.02 0.00 0.00 175.26 178.52 1tiy h HIS 104 N 1.08 0.00 0.02 1.61 2.07 -1.96 -2.16 115.15 115.81 1tiy h HIS 104 Ca -0.41 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.07 1tiy h HIS 104 Cb 1.27 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.25 1tiy h HIS 104 CO 0.57 0.00 -0.14 1.79 -3.07 0.00 0.00 177.93 177.08 1tiy h THR 105 N 0.00 1.68 -0.75 6.12 1.35 -1.95 -3.01 112.91 116.35 1tiy h THR 105 Ca 0.00 -2.17 0.09 0.00 -0.55 0.00 0.00 66.41 63.78 1tiy h THR 105 Cb 0.08 3.13 -0.07 0.00 -1.73 0.00 0.00 68.15 69.56 1tiy h THR 105 CO 0.00 0.58 0.40 0.44 -0.25 0.00 0.00 175.52 176.69 1tiy h ASP 106 N -0.78 0.55 0.29 5.36 3.32 -1.78 -1.77 116.42 121.61 1tiy h ASP 106 Ca -0.02 0.05 -0.12 0.00 0.02 0.00 0.00 57.03 56.96 1tiy h ASP 106 Cb 1.02 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 1tiy h ASP 106 CO 0.03 0.32 -0.46 0.00 -1.72 0.00 0.00 179.24 177.40 1tiy h ALA 107 N 1.43 1.06 -0.01 3.45 0.00 -1.66 -2.80 119.26 120.73 1tiy h ALA 107 Ca 0.36 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1tiy h ALA 107 Cb 0.34 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1tiy h ALA 107 CO -0.25 0.62 -0.26 0.00 0.00 0.00 0.00 179.25 179.37 1tiy h ALA 108 N 1.35 1.56 -0.35 0.00 0.00 -0.27 -1.89 119.26 119.66 1tiy h ALA 108 Ca 0.01 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 54.48 1tiy h ALA 108 Cb 0.89 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.53 1tiy h ALA 108 CO 0.07 0.33 0.26 0.39 0.00 0.00 0.00 179.25 180.30 1tiy n GLU 109 N -4.23 1.49 -0.11 0.00 1.02 -0.97 -3.18 120.64 114.67 1tiy n GLU 109 Ca -0.02 -1.08 0.00 0.00 -0.02 0.00 0.00 57.16 56.04 1tiy n GLU 109 Cb 0.31 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 1tiy n GLU 109 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1tiy n ALA 110 N 0.20 1.21 -0.38 0.62 0.00 -0.95 -4.97 120.51 116.25 1tiy n ALA 110 Ca 0.21 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1tiy n ALA 110 Cb 0.78 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 20.16 1tiy n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tiy n GLY 111 N 0.00 0.73 3.11 0.00 0.00 -1.19 -5.01 105.19 102.83 1tiy n GLY 111 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1tiy n GLY 111 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tiy s PHE 112 N -2.78 3.43 -0.17 1.61 0.40 -0.75 -5.02 117.98 114.70 1tiy s PHE 112 Ca 0.00 -2.66 0.01 0.00 -0.60 0.00 0.00 56.93 53.68 1tiy s PHE 112 Cb 0.00 -3.23 0.01 0.00 0.51 0.00 0.00 43.02 40.32 1tiy s PHE 112 CO 0.00 -0.86 -0.20 0.34 0.70 0.00 0.00 175.22 175.20 1tiy s ASP 113 N 0.85 3.19 0.00 1.36 3.68 -1.26 -1.16 116.67 123.32 1tiy s ASP 113 Ca 0.16 -0.62 0.15 0.00 2.13 0.00 0.00 52.55 54.38 1tiy s ASP 113 Cb -0.20 -1.48 -0.14 0.00 -1.45 0.00 0.00 42.92 39.65 1tiy s ASP 113 CO -0.04 0.03 0.69 -0.90 0.13 0.00 0.00 175.17 175.09 1tiy n ASP 114 N 4.40 0.90 -0.22 -0.34 5.68 -1.26 -4.56 116.55 121.15 1tiy n ASP 114 Ca -0.20 -0.95 0.28 0.00 -0.50 0.00 0.00 54.79 53.42 1tiy n ASP 114 Cb 0.51 0.90 0.69 0.00 -1.14 0.00 0.00 41.12 42.07 1tiy n ASP 114 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1tiy h SER 115 N 0.35 0.08 0.20 -1.12 4.64 -1.94 0.45 113.55 116.22 1tiy h SER 115 Ca 0.00 0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.28 1tiy h SER 115 Cb 0.40 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 1tiy h SER 115 CO 0.00 0.03 -0.22 2.19 -0.87 0.00 0.00 176.83 177.95 1tiy h PHE 116 N 0.08 0.05 -0.08 4.77 -5.15 -2.00 -1.18 116.94 113.42 1tiy h PHE 116 Ca 0.47 -0.01 -0.20 0.00 -0.20 0.00 0.00 57.97 58.04 1tiy h PHE 116 Cb 1.73 -0.01 -0.00 0.00 0.22 0.00 0.00 35.95 37.89 1tiy h PHE 116 CO -0.00 0.27 -0.77 0.82 -2.00 0.00 0.00 178.31 176.63 1tiy h ILE 117 N 0.04 1.36 0.09 0.88 2.04 -0.44 -1.32 117.51 120.17 1tiy h ILE 117 Ca 0.01 -2.14 0.00 0.00 1.00 0.00 0.00 64.86 63.73 1tiy h ILE 117 Cb 0.42 2.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 1tiy h ILE 117 CO 0.03 0.65 -0.08 1.88 0.00 0.00 0.00 178.15 180.63 1tiy h TYR 118 N 0.33 -0.20 -0.18 1.37 -1.99 -1.00 0.11 116.97 115.41 1tiy h TYR 118 Ca -0.04 -0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.73 1tiy h TYR 118 Cb 1.36 0.08 -0.04 0.00 2.00 0.00 0.00 36.73 40.13 1tiy h TYR 118 CO 0.06 -0.12 -0.09 0.87 -0.00 0.00 0.00 178.16 178.88 1tiy h LYS 119 N -0.18 -0.06 -0.55 4.88 1.57 -1.20 -2.29 116.57 118.74 1tiy h LYS 119 Ca -0.00 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1tiy h LYS 119 Cb 0.17 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 1tiy h LYS 119 CO -0.01 -0.04 0.32 0.93 -0.57 0.00 0.00 179.45 180.08 1tiy h GLU 120 N -0.06 0.60 -0.67 3.15 4.39 -0.92 -1.71 114.58 119.36 1tiy h GLU 120 Ca 0.10 -0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.80 1tiy h GLU 120 Cb 0.21 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.69 1tiy h GLU 120 CO -0.23 0.40 0.44 0.82 -1.16 0.00 0.00 179.01 179.29 1tiy h ILE 121 N 0.62 1.08 -0.08 3.13 2.04 -0.41 -2.69 117.51 121.20 1tiy h ILE 121 Ca 0.23 -0.27 -0.05 0.00 1.00 0.00 0.00 64.86 65.77 1tiy h ILE 121 Cb 0.06 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 1tiy h ILE 121 CO -0.12 0.14 -0.16 -0.78 0.00 0.00 0.00 178.15 177.23 1tiy h ASP 122 N 0.77 0.29 -3.88 1.72 3.58 -0.81 -3.45 116.42 114.65 1tiy h ASP 122 Ca 0.27 -0.56 -0.56 0.00 0.42 0.00 0.00 57.03 56.61 1tiy h ASP 122 Cb 0.11 -0.08 0.14 0.00 1.72 0.00 0.00 39.33 41.22 1tiy h ASP 122 CO -0.08 0.79 0.51 0.29 -2.88 0.00 0.00 179.24 177.87 1tiy n LYS 123 N -4.58 1.58 -1.54 0.28 5.02 -0.72 -4.97 118.16 113.23 1tiy n LYS 123 Ca -0.07 0.58 -0.31 0.00 -2.02 0.00 0.00 58.31 56.48 1tiy n LYS 123 Cb 0.39 -2.48 0.06 0.00 -0.02 0.00 0.00 35.03 32.98 1tiy n LYS 123 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1tiy s PRO 124 N -2.78 2.72 0.30 1.97 0.04 -1.26 -4.81 135.00 131.17 1tiy s PRO 124 Ca 0.71 1.12 0.03 0.00 0.04 0.00 0.00 61.00 62.90 1tiy s PRO 124 Cb -0.43 -1.96 0.77 0.00 0.04 0.00 0.00 34.50 32.92 1tiy s PRO 124 CO 0.50 -1.28 1.50 0.00 0.04 0.00 0.00 177.00 177.76 1tiy n ALA 125 N -3.04 0.52 -0.25 8.56 0.00 -1.26 -1.79 120.51 123.24 1tiy n ALA 125 Ca 0.09 1.02 -0.00 0.00 0.00 0.00 0.00 53.44 54.55 1tiy n ALA 125 Cb 0.53 -0.76 0.12 0.00 0.00 0.00 0.00 19.45 19.33 1tiy n ALA 125 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1tiy h GLU 126 N 0.00 0.70 0.00 0.00 5.08 -1.91 -3.03 114.58 115.43 1tiy h GLU 126 Ca 0.59 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.84 1tiy h GLU 126 Cb 1.25 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1tiy h GLU 126 CO -0.89 0.47 -0.33 0.93 -1.00 0.00 0.00 179.01 178.18 1tiy h GLU 127 N 0.72 0.00 -6.46 2.33 5.08 -1.71 -3.47 114.58 111.08 1tiy h GLU 127 Ca 0.33 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 58.09 1tiy h GLU 127 Cb 0.23 0.00 0.13 0.00 0.50 0.00 0.00 28.75 29.61 1tiy h GLU 127 CO -0.20 0.33 -0.09 0.54 -1.00 0.00 0.00 179.01 178.59 1tiy n ARG 128 N -3.29 0.98 0.12 2.33 1.74 -1.14 -4.92 116.66 112.48 1tiy n ARG 128 Ca 0.01 0.35 -0.09 0.00 -0.77 0.00 0.00 57.85 57.36 1tiy n ARG 128 Cb 0.58 -1.75 -0.05 0.00 -1.02 0.00 0.00 32.46 30.22 1tiy n ARG 128 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1tiy h THR 129 N 1.31 0.00 -2.83 0.55 2.02 -1.91 -3.39 112.91 108.66 1tiy h THR 129 Ca -0.41 0.00 -0.52 0.00 0.77 0.00 0.00 66.41 66.25 1tiy h THR 129 Cb 1.37 0.00 0.06 0.00 -1.74 0.00 0.00 68.15 67.83 1tiy h THR 129 CO 0.56 0.00 0.95 -0.63 0.37 0.00 0.00 175.52 176.76 1tiy s ILE 130 N -4.45 2.25 0.20 3.11 1.01 -1.26 -4.91 121.20 117.14 1tiy s ILE 130 Ca -0.09 0.18 -0.32 0.00 0.00 0.00 0.00 60.65 60.42 1tiy s ILE 130 Cb 0.03 -3.12 -0.12 0.00 0.01 0.00 0.00 42.46 39.26 1tiy s ILE 130 CO 0.31 0.02 1.73 -2.84 0.00 0.00 0.00 174.94 174.16 1tiy s PRO 131 N 0.90 4.13 -0.03 2.79 0.02 -1.26 -5.02 135.00 136.51 1tiy s PRO 131 Ca 0.71 2.61 0.04 0.00 0.02 0.00 0.00 61.00 64.38 1tiy s PRO 131 Cb -0.47 -3.12 -0.00 0.00 0.02 0.00 0.00 34.50 30.93 1tiy s PRO 131 CO 0.34 -0.76 -0.14 -0.06 -0.33 0.00 0.00 177.00 176.05 1tiy s PHE 132 N 1.32 1.40 -0.02 6.54 0.40 -1.26 -5.14 117.98 121.21 1tiy s PHE 132 Ca 0.75 -0.38 0.03 0.00 -0.60 0.00 0.00 56.93 56.73 1tiy s PHE 132 Cb -0.49 -0.96 -0.00 0.00 0.51 0.00 0.00 43.02 42.08 1tiy s PHE 132 CO 0.32 -0.13 -0.11 0.71 0.70 0.00 0.00 175.22 176.71 1tiy s TYR 133 N 0.08 1.08 -0.83 0.36 2.02 -1.26 -4.77 117.35 114.03 1tiy s TYR 133 Ca -0.03 -0.26 -0.01 0.00 -0.37 0.00 0.00 57.07 56.40 1tiy s TYR 133 Cb -0.10 -0.74 0.20 0.00 -0.40 0.00 0.00 41.96 40.92 1tiy s TYR 133 CO 0.01 -0.09 0.69 -1.14 -1.57 0.00 0.00 175.55 173.46 1tiy s GLN 134 N 0.05 3.06 0.33 -0.62 -0.44 -1.26 -5.06 119.66 115.72 1tiy s GLN 134 Ca -0.01 -3.21 -0.27 0.00 -2.50 0.00 0.00 55.36 49.37 1tiy s GLN 134 Cb -0.08 -3.84 -0.09 0.00 -1.64 0.00 0.00 33.01 27.36 1tiy s GLN 134 CO 0.00 -1.26 1.06 0.08 0.50 0.00 0.00 175.29 175.67 1tiy s VAL 135 N -1.22 3.68 -0.19 1.34 1.01 -1.26 -5.02 120.40 118.74 1tiy s VAL 135 Ca 0.26 1.49 -0.08 0.00 0.00 0.00 0.00 61.98 63.64 1tiy s VAL 135 Cb -0.08 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1tiy s VAL 135 CO -0.12 0.21 0.09 0.28 0.00 0.00 0.00 175.10 175.56 1tiy s THR 136 N -1.40 5.05 -0.02 3.92 -1.32 -1.26 -5.09 115.64 115.51 1tiy s THR 136 Ca 0.50 0.06 0.04 0.00 -1.21 0.00 0.00 61.69 61.08 1tiy s THR 136 Cb -0.26 -3.29 -0.03 0.00 -1.51 0.00 0.00 72.50 67.41 1tiy s THR 136 CO 0.33 0.45 -0.13 -0.76 -2.21 0.00 0.00 174.62 172.31 1tiy s LEU 137 N 0.36 2.82 0.00 9.08 1.02 -1.26 -5.01 118.68 125.69 1tiy s LEU 137 Ca 0.05 -0.22 0.00 0.00 0.02 0.00 0.00 54.13 53.98 1tiy s LEU 137 Cb -0.12 -1.61 0.00 0.00 0.02 0.00 0.00 46.19 44.49 1tiy s LEU 137 CO -0.01 0.32 0.42 0.35 0.02 0.00 0.00 176.35 177.45 1tiy n THR 138 N 2.01 0.00 -2.08 5.49 -2.24 -1.26 -2.20 114.28 114.00 1tiy n THR 138 Ca -0.17 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.59 1tiy n THR 138 Cb 0.52 -0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 68.48 1tiy n THR 138 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1tiy n GLU 139 N -0.12 0.00 0.00 -0.78 4.71 -1.26 -4.92 120.64 118.26 1tiy n GLU 139 Ca 0.00 -0.84 0.04 0.00 -0.01 0.00 0.00 57.16 56.34 1tiy n GLU 139 Cb 0.08 0.14 0.23 0.00 -1.01 0.00 0.00 31.44 30.87 1tiy n GLU 139 CO 0.00 0.00 0.00 -2.39 0.09 0.00 0.00 177.13 174.83 1tiy n HIS 140 N 0.08 0.00 0.22 -0.32 1.44 -0.93 -2.33 115.22 113.37 1tiy n HIS 140 Ca -0.10 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.63 1tiy n HIS 140 Cb 0.71 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.79 1tiy n HIS 140 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1tiy n LEU 141 N -0.71 0.22 -0.20 2.39 4.32 -1.26 -4.71 117.00 117.06 1tiy n LEU 141 Ca 0.06 -0.45 0.16 0.00 -0.02 0.00 0.00 56.01 55.76 1tiy n LEU 141 Cb 0.03 0.00 0.49 0.00 -1.62 0.00 0.00 43.42 42.31 1tiy n LEU 141 CO 0.04 0.05 1.21 0.77 -1.22 0.00 0.00 177.39 178.25 1tiy h SER 142 N 0.00 0.43 -0.66 -1.43 4.64 -1.86 -1.53 113.55 113.14 1tiy h SER 142 Ca 0.00 0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 61.28 1tiy h SER 142 Cb 0.13 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.14 1tiy h SER 142 CO 0.00 0.21 0.15 1.55 -0.87 0.00 0.00 176.83 177.87 1tiy h PRO 143 N 0.46 1.07 -0.43 4.77 0.13 -1.84 -0.02 132.00 136.14 1tiy h PRO 143 Ca 0.40 -0.27 -0.12 0.00 -0.87 0.00 0.00 66.00 65.15 1tiy h PRO 143 Cb 0.90 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.88 1tiy h PRO 143 CO -0.14 0.96 -0.19 0.74 -0.23 0.00 0.00 178.00 179.14 1tiy h PHE 144 N 0.99 1.02 0.01 1.56 0.04 -1.75 -1.87 116.94 116.94 1tiy h PHE 144 Ca 0.21 -0.25 0.02 0.00 2.80 0.00 0.00 57.97 60.75 1tiy h PHE 144 Cb 0.39 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.27 1tiy h PHE 144 CO 0.03 1.03 -0.18 1.96 -0.60 0.00 0.00 178.31 180.55 1tiy h GLN 145 N 0.71 -0.28 -0.09 1.51 4.20 -1.01 0.79 115.11 120.93 1tiy h GLN 145 Ca 0.10 0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.85 1tiy h GLN 145 Cb 0.75 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.59 1tiy h GLN 145 CO 0.06 -0.19 0.10 0.00 -0.67 0.00 0.00 178.83 178.13 1tiy h ALA 146 N 0.62 1.70 0.07 3.87 0.00 -0.87 -1.04 119.26 123.61 1tiy h ALA 146 Ca 0.05 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.69 1tiy h ALA 146 Cb 0.36 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.17 1tiy h ALA 146 CO -0.16 -0.14 -1.13 2.35 0.00 0.00 0.00 179.25 180.17 1tiy h TRP 147 N 0.00 0.83 0.00 0.00 2.91 -0.09 -3.00 115.95 116.60 1tiy h TRP 147 Ca 0.04 -0.50 0.00 0.00 1.13 0.00 0.00 58.89 59.56 1tiy h TRP 147 Cb 0.24 -0.07 0.00 0.00 -0.51 0.00 0.00 29.16 28.81 1tiy h TRP 147 CO 0.00 1.35 0.02 -0.09 -1.03 0.00 0.00 178.44 178.69 1tiy h ARG 148 N 0.25 0.00 0.00 2.65 2.43 0.43 -3.16 114.38 116.99 1tiy h ARG 148 Ca -0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1tiy h ARG 148 Cb 1.80 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.35 1tiy h ARG 148 CO 0.21 0.00 -0.28 0.09 -1.51 0.00 0.00 179.97 178.48 1tiy n ASN 149 N -2.98 0.90 0.00 -3.80 3.02 -1.19 -5.12 115.26 106.09 1tiy n ASN 149 Ca -0.03 0.41 0.00 0.00 -0.03 0.00 0.00 54.58 54.93 1tiy n ASN 149 Cb 0.09 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 38.58 1tiy n ASN 149 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97