#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uty s THR 9 N 0.00 4.74 -0.06 -2.13 2.01 -1.26 -4.79 115.64 114.15 1uty s THR 9 Ca 0.00 1.68 0.03 0.00 0.31 0.00 0.00 61.69 63.72 1uty s THR 9 Cb 0.00 -4.14 -0.02 0.00 0.01 0.00 0.00 72.50 68.34 1uty s THR 9 CO 0.00 0.34 -0.15 -0.54 -0.69 0.00 0.00 174.62 173.58 1uty s LYS 10 N 0.07 2.59 -0.26 4.92 -0.14 -0.23 -4.98 119.74 121.72 1uty s LYS 10 Ca 0.40 -0.70 -0.01 0.00 -1.36 0.00 0.00 55.97 54.30 1uty s LYS 10 Cb -0.21 -2.40 0.04 0.00 -1.68 0.00 0.00 37.83 33.59 1uty s LYS 10 CO 0.24 0.57 -0.06 -0.80 -0.76 0.00 0.00 175.35 174.54 1uty s ASN 11 N -0.60 4.42 -0.18 2.83 0.01 -1.26 -0.47 114.94 119.70 1uty s ASN 11 Ca 0.09 -1.07 -0.03 0.00 -0.71 0.00 0.00 52.86 51.14 1uty s ASN 11 Cb -0.11 -1.64 -0.02 0.00 0.41 0.00 0.00 41.25 39.88 1uty s ASN 11 CO 0.01 -0.17 -0.05 -0.63 -1.51 0.00 0.00 177.10 174.76 1uty s ILE 12 N 1.26 3.64 -0.40 0.60 1.09 0.10 -1.17 121.20 126.32 1uty s ILE 12 Ca -0.03 -0.43 -0.04 0.00 -1.10 0.00 0.00 60.65 59.06 1uty s ILE 12 Cb -0.18 -2.61 0.10 0.00 -1.06 0.00 0.00 42.46 38.71 1uty s ILE 12 CO -0.04 0.47 0.19 -0.36 -0.10 0.00 0.00 174.94 175.10 1uty s PHE 13 N 0.75 3.51 -0.11 3.97 0.08 0.56 0.18 117.98 126.91 1uty s PHE 13 Ca -0.02 -2.23 -0.30 0.00 0.12 0.00 0.00 56.93 54.51 1uty s PHE 13 Cb -0.15 -3.06 -0.01 0.00 -0.57 0.00 0.00 43.02 39.23 1uty s PHE 13 CO 0.02 -0.94 1.03 0.08 -0.10 0.00 0.00 175.22 175.31 1uty s VAL 14 N 1.20 4.73 -0.38 -0.44 1.01 0.21 -0.97 120.40 125.76 1uty s VAL 14 Ca 0.06 2.01 -0.10 0.00 0.00 0.00 0.00 61.98 63.95 1uty s VAL 14 Cb -0.23 -4.29 0.04 0.00 0.00 0.00 0.00 36.38 31.90 1uty s VAL 14 CO -0.03 -0.01 0.20 -0.22 0.00 0.00 0.00 175.10 175.04 1uty s LEU 15 N 2.14 4.73 -0.48 3.92 2.96 0.41 -0.91 118.68 131.44 1uty s LEU 15 Ca 0.49 -1.10 0.04 0.00 -0.22 0.00 0.00 54.13 53.33 1uty s LEU 15 Cb -0.18 -1.99 0.16 0.00 0.50 0.00 0.00 46.19 44.67 1uty s LEU 15 CO 0.17 -0.40 0.35 -0.62 -1.32 0.00 0.00 176.35 174.53 1uty s ASP 16 N 1.61 2.68 0.30 3.68 2.15 -1.26 -1.17 116.67 124.65 1uty s ASP 16 Ca 0.01 -3.13 0.03 0.00 0.43 0.00 0.00 52.55 49.89 1uty s ASP 16 Cb -0.20 -0.81 0.46 0.00 -0.30 0.00 0.00 42.92 42.08 1uty s ASP 16 CO 0.05 -0.17 1.77 0.58 -0.17 0.00 0.00 175.17 177.23 1uty h VAL 17 N 4.68 1.24 0.00 1.11 2.07 -1.90 -1.72 116.25 121.73 1uty h VAL 17 Ca 0.19 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1uty h VAL 17 Cb 0.88 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1uty h VAL 17 CO 0.46 0.36 0.00 0.35 0.02 0.00 0.00 177.57 178.76 1uty n THR 18 N -4.17 0.01 -3.84 2.57 -2.24 -1.26 -4.94 114.28 100.41 1uty n THR 18 Ca 0.00 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 1uty n THR 18 Cb 0.36 -0.51 0.03 0.00 -2.10 0.00 0.00 70.33 68.11 1uty n THR 18 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uty n ALA 19 N -1.36 -1.39 0.70 6.98 0.00 -0.65 -4.87 120.51 119.91 1uty n ALA 19 Ca 0.12 0.18 0.11 0.00 0.00 0.00 0.00 53.44 53.85 1uty n ALA 19 Cb 0.28 -4.29 0.09 0.00 0.00 0.00 0.00 19.45 15.52 1uty n ALA 19 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1uty n LYS 20 N -4.68 0.20 -3.37 0.00 4.76 -1.26 -3.87 118.16 109.94 1uty n LYS 20 Ca -0.01 0.01 -0.27 0.00 -2.87 0.00 0.00 58.31 55.18 1uty n LYS 20 Cb 0.55 -1.58 -0.02 0.00 -1.84 0.00 0.00 35.03 32.14 1uty n LYS 20 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1uty s THR 21 N -3.13 5.07 0.21 -0.18 -4.23 -1.26 -3.82 115.64 108.30 1uty s THR 21 Ca 0.06 -0.16 -0.12 0.00 -1.18 0.00 0.00 61.69 60.29 1uty s THR 21 Cb 0.15 -3.78 0.22 0.00 1.34 0.00 0.00 72.50 70.43 1uty s THR 21 CO 0.77 -0.40 1.64 0.25 -0.54 0.00 0.00 174.62 176.35 1uty h LEU 22 N 1.37 -0.41 -0.64 4.79 5.85 -0.34 0.08 115.31 126.01 1uty h LEU 22 Ca -0.48 0.17 0.12 0.00 0.84 0.00 0.00 57.88 58.53 1uty h LEU 22 Cb 1.20 0.33 -0.12 0.00 0.37 0.00 0.00 40.66 42.43 1uty h LEU 22 CO 0.65 -0.16 -0.23 0.00 -0.34 0.00 0.00 178.44 178.35 1uty h GLY 24 N -0.07 0.90 0.93 0.00 0.00 -1.45 -1.57 103.07 101.81 1uty h GLY 24 Ca 0.29 -0.74 0.01 0.00 0.00 0.00 0.00 47.33 46.89 1uty h GLY 24 CO -0.69 0.68 0.13 0.00 0.00 0.00 0.00 176.54 176.66 1uty h ALA 25 N 0.86 0.29 -0.33 3.60 0.00 -0.67 -0.70 119.26 122.30 1uty h ALA 25 Ca 0.11 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1uty h ALA 25 Cb 0.64 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1uty h ALA 25 CO 0.04 -0.26 -0.01 0.82 0.00 0.00 0.00 179.25 179.84 1uty h ILE 26 N 0.28 1.26 -0.45 0.00 1.08 -1.18 0.20 117.51 118.70 1uty h ILE 26 Ca 0.09 -0.98 0.03 0.00 -0.39 0.00 0.00 64.86 63.61 1uty h ILE 26 Cb 0.01 1.24 -0.04 0.00 -3.07 0.00 0.00 36.82 34.96 1uty h ILE 26 CO -0.05 0.32 0.24 0.00 -0.69 0.00 0.00 178.15 177.97 1uty h ALA 27 N 0.85 0.57 -0.08 1.87 0.00 -1.15 -1.28 119.26 120.04 1uty h ALA 27 Ca 0.09 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1uty h ALA 27 Cb 0.46 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1uty h ALA 27 CO 0.02 -0.10 0.04 -0.22 0.00 0.00 0.00 179.25 178.99 1uty h LYS 28 N 0.48 0.12 -0.68 0.00 3.64 -0.87 0.33 116.57 119.59 1uty h LYS 28 Ca 0.19 -0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.67 1uty h LYS 28 Cb 0.07 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 1uty h LYS 28 CO -0.12 0.23 0.45 1.25 -2.27 0.00 0.00 179.45 178.99 1uty h LEU 29 N -0.01 0.40 -2.43 5.20 5.85 -0.44 -1.94 115.31 121.94 1uty h LEU 29 Ca 0.03 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1uty h LEU 29 Cb 0.15 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1uty h LEU 29 CO -0.00 0.23 0.00 -1.20 -0.34 0.00 0.00 178.44 177.13 1uty n SER 30 N -4.48 3.61 -2.78 1.25 7.64 -0.50 -4.96 113.62 113.41 1uty n SER 30 Ca 0.12 -2.00 -0.19 0.00 1.01 0.00 0.00 58.87 57.81 1uty n SER 30 Cb 0.43 -0.31 0.05 0.00 -1.01 0.00 0.00 64.21 63.36 1uty n SER 30 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1uty n SER 31 N 1.55 -5.52 -4.39 6.43 7.64 -0.32 -5.02 113.62 113.98 1uty n SER 31 Ca 0.21 -0.33 -0.30 0.00 1.01 0.00 0.00 58.87 59.46 1uty n SER 31 Cb 0.62 -4.26 -0.14 0.00 -1.01 0.00 0.00 64.21 59.42 1uty n SER 31 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1uty s GLN 32 N -5.76 1.77 0.14 1.43 -1.52 0.10 -5.01 119.66 110.80 1uty s GLN 32 Ca 0.35 -1.14 -0.11 0.00 -1.95 0.00 0.00 55.36 52.51 1uty s GLN 32 Cb -0.16 -2.02 -0.06 0.00 -0.22 0.00 0.00 33.01 30.56 1uty s GLN 32 CO 0.44 0.50 1.45 -1.00 -0.25 0.00 0.00 175.29 176.43 1uty h PRO 33 N 4.44 0.92 -6.27 2.91 0.13 -1.82 -3.34 132.00 128.96 1uty h PRO 33 Ca -0.48 -0.51 -0.59 0.00 -0.87 0.00 0.00 66.00 63.55 1uty h PRO 33 Cb 1.15 0.03 -0.09 0.00 0.13 0.00 0.00 31.00 32.22 1uty h PRO 33 CO 0.44 1.16 -0.62 0.71 -0.23 0.00 0.00 178.00 179.46 1uty s TYR 34 N -4.32 2.96 -0.30 1.56 2.02 -0.85 -4.46 117.35 113.95 1uty s TYR 34 Ca -0.11 -0.10 -0.06 0.00 -0.37 0.00 0.00 57.07 56.43 1uty s TYR 34 Cb 0.11 -1.42 0.02 0.00 -0.40 0.00 0.00 41.96 40.27 1uty s TYR 34 CO 0.88 0.52 0.07 0.00 -1.57 0.00 0.00 175.55 175.46 1uty s GLN 36 N 1.47 4.42 -0.25 0.00 0.74 0.17 -0.62 119.66 125.59 1uty s GLN 36 Ca 0.02 1.62 -0.03 0.00 0.05 0.00 0.00 55.36 57.01 1uty s GLN 36 Cb -0.18 -3.49 0.01 0.00 1.10 0.00 0.00 33.01 30.46 1uty s GLN 36 CO 0.02 -0.32 -0.03 0.42 -0.55 0.00 0.00 175.29 174.83 1uty s ILE 37 N 1.70 3.20 -0.21 -2.34 1.01 0.47 -1.49 121.20 123.55 1uty s ILE 37 Ca 0.55 -0.80 -0.06 0.00 0.00 0.00 0.00 60.65 60.34 1uty s ILE 37 Cb -0.24 -2.57 -0.03 0.00 0.01 0.00 0.00 42.46 39.62 1uty s ILE 37 CO 0.24 0.25 0.03 -0.75 0.00 0.00 0.00 174.94 174.71 1uty s LYS 38 N 1.40 3.66 -0.10 2.79 2.20 -0.63 0.01 119.74 129.08 1uty s LYS 38 Ca 0.02 -0.49 0.00 0.00 -0.36 0.00 0.00 55.97 55.15 1uty s LYS 38 Cb -0.16 -3.17 -0.02 0.00 -1.51 0.00 0.00 37.83 32.97 1uty s LYS 38 CO -0.03 -0.02 -0.11 0.42 -0.36 0.00 0.00 175.35 175.24 1uty s ILE 39 N 1.13 3.26 -5.00 5.43 1.01 0.38 -2.31 121.20 125.10 1uty s ILE 39 Ca 0.03 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.07 1uty s ILE 39 Cb -0.14 -2.35 0.00 0.00 0.01 0.00 0.00 42.46 39.98 1uty s ILE 39 CO 0.02 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.12 1uty n GLY 40 N 3.03 0.14 0.26 6.18 0.00 -1.26 -1.06 105.19 112.48 1uty n GLY 40 Ca -0.18 -1.32 0.04 0.00 0.00 0.00 0.00 46.02 44.55 1uty n GLY 40 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1uty h ARG 41 N 0.00 0.39 -5.23 1.61 2.43 -1.97 -3.36 114.38 108.26 1uty h ARG 41 Ca 0.00 -0.02 -0.65 0.00 -0.81 0.00 0.00 59.98 58.50 1uty h ARG 41 Cb 0.00 -0.09 -0.25 0.00 -0.42 0.00 0.00 29.97 29.21 1uty h ARG 41 CO 0.00 0.26 -0.72 0.08 -1.51 0.00 0.00 179.97 178.08 1uty s VAL 42 N -6.05 3.46 0.20 0.20 1.01 -1.26 -5.12 120.40 112.84 1uty s VAL 42 Ca -0.13 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.40 1uty s VAL 42 Cb 0.20 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 1uty s VAL 42 CO 0.76 0.49 0.27 0.68 0.00 0.00 0.00 175.10 177.30 1uty s VAL 43 N 0.65 5.02 -0.11 2.92 -7.23 -1.26 -4.48 120.40 115.91 1uty s VAL 43 Ca -0.04 -0.99 -0.24 0.00 -1.81 0.00 0.00 61.98 58.90 1uty s VAL 43 Cb -0.15 -3.66 0.06 0.00 0.56 0.00 0.00 36.38 33.19 1uty s VAL 43 CO 0.02 -0.23 0.57 0.00 -0.31 0.00 0.00 175.10 175.16 1uty s ALA 44 N -1.90 -1.46 -0.12 1.32 0.00 -0.98 -4.95 121.76 113.67 1uty s ALA 44 Ca 0.33 1.26 -0.00 0.00 0.00 0.00 0.00 51.96 53.56 1uty s ALA 44 Cb -0.10 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.68 1uty s ALA 44 CO 0.27 -0.31 -0.10 0.12 0.00 0.00 0.00 175.76 175.74 1uty s PHE 45 N -0.64 1.71 -0.29 0.00 2.19 -1.26 -1.60 117.98 118.10 1uty s PHE 45 Ca -0.07 -0.89 -0.14 0.00 0.33 0.00 0.00 56.93 56.16 1uty s PHE 45 Cb -0.03 -1.34 0.10 0.00 -1.31 0.00 0.00 43.02 40.44 1uty s PHE 45 CO 0.05 -0.55 0.69 0.21 1.83 0.00 0.00 175.22 177.45 1uty s LYS 46 N 1.58 0.65 0.13 10.12 2.20 -0.55 -4.99 119.74 128.88 1uty s LYS 46 Ca 0.04 1.28 -0.31 0.00 -0.36 0.00 0.00 55.97 56.62 1uty s LYS 46 Cb -0.13 0.38 -0.10 0.00 -1.51 0.00 0.00 37.83 36.47 1uty s LYS 46 CO -0.08 -0.16 1.64 -2.14 -0.36 0.00 0.00 175.35 174.25 1uty s PRO 47 N 2.04 4.19 0.16 4.03 0.02 -1.26 0.43 135.00 144.62 1uty s PRO 47 Ca -0.09 2.40 0.01 0.00 0.02 0.00 0.00 61.00 63.34 1uty s PRO 47 Cb -0.07 -3.36 -0.04 0.00 0.02 0.00 0.00 34.50 31.04 1uty s PRO 47 CO -0.20 -0.69 0.02 0.14 -0.33 0.00 0.00 177.00 175.94 1uty s VAL 48 N 1.88 0.49 0.10 3.83 -7.23 -0.17 -4.88 120.40 114.42 1uty s VAL 48 Ca 0.73 -1.96 0.05 0.00 -1.81 0.00 0.00 61.98 59.00 1uty s VAL 48 Cb -0.43 -2.12 -0.23 0.00 0.56 0.00 0.00 36.38 34.17 1uty s VAL 48 CO 0.32 -0.45 1.19 0.07 -0.31 0.00 0.00 175.10 175.92 1uty h LYS 49 N 2.73 0.05 -2.85 4.82 2.10 -1.95 -2.26 116.57 119.21 1uty h LYS 49 Ca -0.36 -0.09 -0.08 0.00 -2.00 0.00 0.00 60.65 58.12 1uty h LYS 49 Cb 1.20 0.03 -0.18 0.00 -0.90 0.00 0.00 32.23 32.39 1uty h LYS 49 CO 0.62 0.99 -0.09 0.54 -2.00 0.00 0.00 179.45 179.52 1uty s ASN 50 N -6.73 -0.33 0.56 7.07 4.22 -1.26 -4.70 114.94 113.75 1uty s ASN 50 Ca -0.01 0.14 -0.18 0.00 -2.14 0.00 0.00 52.86 50.67 1uty s ASN 50 Cb 0.09 0.42 -0.05 0.00 1.28 0.00 0.00 41.25 42.99 1uty s ASN 50 CO 0.83 -0.61 1.10 -2.16 -2.04 0.00 0.00 177.10 174.22 1uty s PRO 51 N -2.03 3.34 0.33 3.55 0.04 -1.26 -5.05 135.00 133.92 1uty s PRO 51 Ca -0.08 1.49 0.03 0.00 0.04 0.00 0.00 61.00 62.49 1uty s PRO 51 Cb -0.02 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 1uty s PRO 51 CO 0.01 -0.84 0.49 -1.21 0.04 0.00 0.00 177.00 175.49 1uty s GLU 52 N -3.48 3.31 0.46 4.56 2.02 -1.26 -4.74 118.70 119.56 1uty s GLU 52 Ca 0.70 -0.67 -0.23 0.00 0.02 0.00 0.00 54.97 54.79 1uty s GLU 52 Cb -0.21 -2.76 -0.10 0.00 0.10 0.00 0.00 34.13 31.16 1uty s GLU 52 CO 0.29 0.15 0.96 -2.30 0.02 0.00 0.00 175.26 174.38 1uty n PRO 53 N -1.68 1.21 -0.93 0.39 -0.02 -1.26 -1.35 135.00 131.36 1uty n PRO 53 Ca -0.04 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1uty n PRO 53 Cb 0.57 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 1uty n PRO 53 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1uty n LYS 54 N -0.04 -1.35 -2.22 -0.52 -0.00 0.12 -4.97 118.16 109.18 1uty n LYS 54 Ca 0.10 0.34 -0.29 0.00 -0.00 0.00 0.00 58.31 58.46 1uty n LYS 54 Cb 0.41 -4.55 0.02 0.00 -0.00 0.00 0.00 35.03 30.91 1uty n LYS 54 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1uty s GLY 55 N -2.00 1.60 -0.19 2.58 0.00 -0.46 -4.79 107.32 104.05 1uty s GLY 55 Ca 0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 44.72 44.24 1uty s GLY 55 CO 0.00 -0.15 0.05 -0.19 0.00 0.00 0.00 173.10 172.81 1uty s TYR 56 N -3.05 3.17 -0.34 1.90 1.51 -0.32 -0.09 117.35 120.14 1uty s TYR 56 Ca 0.53 -0.10 -0.16 0.00 -1.01 0.00 0.00 57.07 56.33 1uty s TYR 56 Cb -0.11 -2.09 -0.01 0.00 -0.11 0.00 0.00 41.96 39.64 1uty s TYR 56 CO 0.49 0.01 0.42 0.08 -1.11 0.00 0.00 175.55 175.43 1uty s VAL 57 N 0.65 5.12 -0.61 0.71 1.01 0.64 -0.33 120.40 127.60 1uty s VAL 57 Ca 0.02 0.21 -0.11 0.00 0.00 0.00 0.00 61.98 62.10 1uty s VAL 57 Cb -0.13 -3.86 0.16 0.00 0.00 0.00 0.00 36.38 32.55 1uty s VAL 57 CO 0.02 -0.10 0.52 -0.22 0.00 0.00 0.00 175.10 175.31 1uty s LEU 58 N 2.15 6.06 -0.41 3.92 2.96 -0.14 -0.48 118.68 132.74 1uty s LEU 58 Ca 0.14 -2.23 -0.27 0.00 -0.22 0.00 0.00 54.13 51.56 1uty s LEU 58 Cb -0.16 -2.10 0.02 0.00 0.50 0.00 0.00 46.19 44.45 1uty s LEU 58 CO 0.12 -0.66 1.00 0.21 -1.32 0.00 0.00 176.35 175.70 1uty s ASN 59 N 2.50 6.66 0.19 3.68 3.84 -0.08 -0.45 114.94 131.28 1uty s ASN 59 Ca 0.10 0.51 0.10 0.00 0.21 0.00 0.00 52.86 53.77 1uty s ASN 59 Cb -0.22 -2.49 -0.04 0.00 -0.55 0.00 0.00 41.25 37.95 1uty s ASN 59 CO -0.02 -1.00 -0.20 0.68 -2.79 0.00 0.00 177.10 173.76 1uty s VAL 60 N 3.80 2.05 -1.67 -5.21 -7.23 -0.32 -1.37 120.40 110.45 1uty s VAL 60 Ca 0.41 -2.02 0.25 0.00 -1.81 0.00 0.00 61.98 58.81 1uty s VAL 60 Cb -0.10 -1.99 0.13 0.00 0.56 0.00 0.00 36.38 34.98 1uty s VAL 60 CO 0.23 -0.28 1.38 -0.81 -0.31 0.00 0.00 175.10 175.31 1uty n PRO 61 N 0.15 0.76 -3.71 4.82 -0.04 -1.26 -4.42 135.00 131.31 1uty n PRO 61 Ca -0.12 -0.52 0.00 0.00 -0.04 0.00 0.00 63.50 62.82 1uty n PRO 61 Cb 0.57 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 1uty n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1uty n GLY 62 N 1.39 -1.08 3.74 0.55 0.00 -1.26 -4.80 105.19 103.73 1uty n GLY 62 Ca 0.10 -1.06 -0.33 0.00 0.00 0.00 0.00 46.02 44.73 1uty n GLY 62 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uty s PRO 63 N -1.42 2.12 0.00 1.61 0.04 -1.26 -4.84 135.00 131.25 1uty s PRO 63 Ca 0.00 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1uty s PRO 63 Cb 0.00 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1uty s PRO 63 CO 0.00 -1.80 0.00 0.41 0.04 0.00 0.00 177.00 175.65 1uty n GLY 64 N -0.24 2.48 3.64 0.56 0.00 -0.23 -4.85 105.19 106.55 1uty n GLY 64 Ca 0.11 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.76 1uty n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uty s ALA 65 N -2.00 3.58 -0.09 4.61 0.00 0.10 -1.58 121.76 126.38 1uty s ALA 65 Ca 0.00 -0.49 0.02 0.00 0.00 0.00 0.00 51.96 51.49 1uty s ALA 65 Cb 0.00 -2.89 0.01 0.00 0.00 0.00 0.00 23.12 20.24 1uty s ALA 65 CO 0.00 -0.64 -0.15 0.71 0.00 0.00 0.00 175.76 175.68 1uty s TYR 66 N 2.09 1.82 -0.28 0.00 2.02 0.17 -0.96 117.35 122.21 1uty s TYR 66 Ca 0.23 -0.79 0.00 0.00 -0.37 0.00 0.00 57.07 56.15 1uty s TYR 66 Cb -0.16 -1.31 0.05 0.00 -0.40 0.00 0.00 41.96 40.15 1uty s TYR 66 CO 0.09 -0.40 -0.05 0.50 -1.57 0.00 0.00 175.55 174.12 1uty s ARG 67 N 0.86 2.35 -0.11 -0.62 3.52 0.07 -0.07 118.95 124.93 1uty s ARG 67 Ca -0.10 -1.30 -0.30 0.00 -0.13 0.00 0.00 55.73 53.90 1uty s ARG 67 Cb -0.15 -3.06 -0.01 0.00 -1.56 0.00 0.00 34.95 30.17 1uty s ARG 67 CO 0.01 -0.60 1.02 0.42 -0.81 0.00 0.00 175.30 175.34 1uty s ILE 68 N 1.19 4.74 -0.37 4.11 1.01 0.52 0.06 121.20 132.45 1uty s ILE 68 Ca -0.07 2.01 -0.02 0.00 0.00 0.00 0.00 60.65 62.57 1uty s ILE 68 Cb -0.20 -4.29 0.09 0.00 0.01 0.00 0.00 42.46 38.07 1uty s ILE 68 CO -0.03 -0.01 0.13 -1.58 0.00 0.00 0.00 174.94 173.45 1uty s GLN 69 N 2.15 2.14 -0.60 2.79 2.00 -0.33 -1.86 119.66 125.95 1uty s GLN 69 Ca 0.48 -1.62 0.06 0.00 -2.00 0.00 0.00 55.36 52.28 1uty s GLN 69 Cb -0.18 -3.44 0.28 0.00 0.80 0.00 0.00 33.01 30.46 1uty s GLN 69 CO 0.17 -0.91 0.80 -3.47 -0.50 0.00 0.00 175.29 171.37 1uty n ASP 70 N 4.60 3.70 0.00 6.67 2.03 -0.13 -4.14 116.55 129.29 1uty n ASP 70 Ca -0.06 -3.47 0.00 0.00 0.52 0.00 0.00 54.79 51.79 1uty n ASP 70 Cb 0.42 -0.63 0.00 0.00 -0.72 0.00 0.00 41.12 40.19 1uty n ASP 70 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1uty n GLY 71 N 0.54 2.60 0.14 0.27 0.00 -1.26 -1.92 105.19 105.55 1uty n GLY 71 Ca 0.30 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.35 1uty n GLY 71 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1uty h GLN 72 N 0.00 0.00 -6.20 1.61 -0.00 -2.01 -3.43 115.11 105.09 1uty h GLN 72 Ca 0.00 0.00 -0.59 0.00 -0.00 0.00 0.00 58.65 58.06 1uty h GLN 72 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 27.48 27.39 1uty h GLN 72 CO 0.00 0.46 0.68 -0.51 -0.00 0.00 0.00 178.83 179.46 1uty s ASP 73 N -6.41 6.70 -0.15 0.06 1.01 -0.81 -5.02 116.67 112.05 1uty s ASP 73 Ca 0.04 0.61 0.01 0.00 0.71 0.00 0.00 52.55 53.92 1uty s ASP 73 Cb 0.07 -2.49 0.02 0.00 1.01 0.00 0.00 42.92 41.54 1uty s ASP 73 CO 0.74 -0.92 -0.15 -0.63 0.21 0.00 0.00 175.17 174.42 1uty s ILE 74 N 3.63 1.66 -0.24 0.77 1.01 -1.26 -0.95 121.20 125.82 1uty s ILE 74 Ca 0.40 -0.69 -0.03 0.00 0.00 0.00 0.00 60.65 60.33 1uty s ILE 74 Cb -0.11 -1.54 0.01 0.00 0.01 0.00 0.00 42.46 40.82 1uty s ILE 74 CO 0.20 0.47 -0.04 -0.63 0.00 0.00 0.00 174.94 174.95 1uty s ILE 75 N 1.42 3.25 -0.19 2.92 1.01 -0.78 -4.32 121.20 124.51 1uty s ILE 75 Ca 0.04 -0.69 -0.07 0.00 0.00 0.00 0.00 60.65 59.93 1uty s ILE 75 Cb -0.13 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.75 1uty s ILE 75 CO -0.11 0.32 0.05 -0.44 0.00 0.00 0.00 174.94 174.76 1uty s SER 76 N 1.43 5.34 -0.04 3.58 0.01 0.62 -0.35 113.70 124.28 1uty s SER 76 Ca 0.04 -0.03 0.02 0.00 1.31 0.00 0.00 55.95 57.28 1uty s SER 76 Cb -0.15 -1.92 0.01 0.00 0.21 0.00 0.00 66.02 64.17 1uty s SER 76 CO -0.03 0.12 -0.08 -0.76 0.41 0.00 0.00 173.24 172.89 1uty s LEU 77 N 0.70 1.57 -0.39 2.44 1.02 0.89 -1.51 118.68 123.41 1uty s LEU 77 Ca 0.02 -0.20 -0.13 0.00 0.02 0.00 0.00 54.13 53.84 1uty s LEU 77 Cb -0.13 -0.60 0.01 0.00 0.02 0.00 0.00 46.19 45.49 1uty s LEU 77 CO 0.02 0.01 0.26 -0.04 0.02 0.00 0.00 176.35 176.62 1uty s MET 78 N 0.61 3.04 -0.34 1.70 -1.94 0.78 -0.66 119.30 122.49 1uty s MET 78 Ca -0.10 -0.96 -0.07 0.00 -1.71 0.00 0.00 55.69 52.85 1uty s MET 78 Cb -0.13 -3.88 0.03 0.00 2.01 0.00 0.00 34.83 32.87 1uty s MET 78 CO 0.01 -0.67 0.12 -0.51 -0.01 0.00 0.00 175.02 173.96 1uty s LEU 79 N 1.65 4.34 0.49 -0.03 1.43 -0.61 -1.40 118.68 124.55 1uty s LEU 79 Ca 0.04 -1.07 0.06 0.00 -1.03 0.00 0.00 54.13 52.13 1uty s LEU 79 Cb -0.19 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.14 1uty s LEU 79 CO 0.09 -0.32 0.31 0.42 0.23 0.00 0.00 176.35 177.08 1uty s THR 80 N 1.44 1.92 0.35 5.49 -4.23 0.20 -1.06 115.64 119.75 1uty s THR 80 Ca -0.01 -1.57 0.31 0.00 -1.18 0.00 0.00 61.69 59.25 1uty s THR 80 Cb -0.19 -2.48 0.33 0.00 1.34 0.00 0.00 72.50 71.50 1uty s THR 80 CO 0.03 0.00 2.07 -0.65 -0.54 0.00 0.00 174.62 175.54 1uty h PRO 81 N 1.01 0.00 0.00 3.99 0.11 -1.90 0.33 132.00 135.54 1uty h PRO 81 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1uty h PRO 81 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1uty h PRO 81 CO 0.62 0.09 0.00 0.72 -0.21 0.00 0.00 178.00 179.22 1uty n HIS 82 N -3.40 0.00 -3.59 0.65 8.25 -1.26 -3.33 115.22 112.55 1uty n HIS 82 Ca -0.01 -0.48 -0.05 0.00 -0.26 0.00 0.00 57.72 56.92 1uty n HIS 82 Cb 0.25 -0.05 -0.02 0.00 1.12 0.00 0.00 29.99 31.29 1uty n HIS 82 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1uty s GLY 83 N -0.95 -0.30 -0.02 -1.41 0.00 -1.24 -4.98 107.32 98.41 1uty s GLY 83 Ca 0.00 1.57 0.03 0.00 0.00 0.00 0.00 44.72 46.32 1uty s GLY 83 CO 0.00 0.53 -0.12 0.54 0.00 0.00 0.00 173.10 174.05 1uty s VAL 84 N -2.45 1.02 -0.02 1.40 0.11 -1.26 -0.62 120.40 118.59 1uty s VAL 84 Ca 0.09 -0.52 0.01 0.00 -2.93 0.00 0.00 61.98 58.63 1uty s VAL 84 Cb -0.01 -0.88 0.01 0.00 -1.53 0.00 0.00 36.38 33.97 1uty s VAL 84 CO -0.05 0.30 -0.03 -0.70 -3.33 0.00 0.00 175.10 171.29 1uty s GLU 85 N -0.03 0.36 0.07 1.54 2.12 -0.49 -5.00 118.70 117.27 1uty s GLU 85 Ca -0.00 -0.07 -0.14 0.00 0.36 0.00 0.00 54.97 55.12 1uty s GLU 85 Cb -0.08 -0.41 0.02 0.00 0.26 0.00 0.00 34.13 33.92 1uty s GLU 85 CO 0.00 -0.00 0.31 0.00 -0.54 0.00 0.00 175.26 175.04 1uty s ALA 86 N 0.36 -0.68 -0.03 6.30 0.00 -1.26 -0.15 121.76 126.28 1uty s ALA 86 Ca -0.04 -0.09 -0.29 0.00 0.00 0.00 0.00 51.96 51.54 1uty s ALA 86 Cb -0.07 0.43 0.09 0.00 0.00 0.00 0.00 23.12 23.58 1uty s ALA 86 CO -0.01 -0.48 0.77 -0.08 0.00 0.00 0.00 175.76 175.96 1uty s THR 87 N -3.05 0.00 -1.85 0.00 -1.32 -0.57 -5.00 115.64 103.85 1uty s THR 87 Ca -0.01 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 60.67 1uty s THR 87 Cb 0.01 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.99 1uty s THR 87 CO -0.07 0.00 1.01 0.41 -2.21 0.00 0.00 174.62 173.77 1uty n THR 88 N 0.48 0.00 -3.78 5.08 -1.04 -1.26 -0.28 114.28 113.48 1uty n THR 88 Ca -0.15 -0.28 -0.24 0.00 -2.04 0.00 0.00 64.05 61.34 1uty n THR 88 Cb 0.59 1.24 -0.02 0.00 -1.82 0.00 0.00 70.33 70.32 1uty n THR 88 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1uty s GLU 89 N -2.31 2.33 0.33 -2.82 2.02 -1.26 -4.56 118.70 112.42 1uty s GLU 89 Ca 0.17 -1.85 -0.29 0.00 0.02 0.00 0.00 54.97 53.01 1uty s GLU 89 Cb 0.16 -2.19 -0.11 0.00 0.10 0.00 0.00 34.13 32.09 1uty s GLU 89 CO 0.53 -0.47 1.51 1.03 0.02 0.00 0.00 175.26 177.88 1uty s ARG 90 N -4.22 4.14 -0.39 1.61 1.81 -1.26 -4.76 118.95 115.87 1uty s ARG 90 Ca 0.40 2.53 0.08 0.00 -1.72 0.00 0.00 55.73 57.02 1uty s ARG 90 Cb -0.02 -3.00 0.24 0.00 -0.45 0.00 0.00 34.95 31.72 1uty s ARG 90 CO 0.24 -0.54 0.51 1.87 -0.68 0.00 0.00 175.30 176.70 1uty n TRP 91 N 1.23 -0.37 1.13 -0.53 -0.00 -1.26 -5.01 117.44 112.64 1uty n TRP 91 Ca 0.04 -3.55 0.12 0.00 -0.00 0.00 0.00 57.50 54.11 1uty n TRP 91 Cb 0.39 -0.30 0.24 0.00 -0.00 0.00 0.00 31.31 31.64 1uty n TRP 91 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 1uty n GLU 92 N 1.52 0.71 0.27 5.87 -0.58 -1.26 -3.46 120.64 123.71 1uty n GLU 92 Ca 0.22 -0.48 0.14 0.00 -0.42 0.00 0.00 57.16 56.62 1uty n GLU 92 Cb 0.52 -1.49 0.71 0.00 -0.57 0.00 0.00 31.44 30.61 1uty n GLU 92 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 1uty h GLU 93 N 1.17 0.00 -6.58 3.49 4.11 -1.94 -3.42 114.58 111.41 1uty h GLU 93 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.36 58.78 1uty h GLU 93 Cb 0.56 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.64 1uty h GLU 93 CO 0.00 0.11 -0.78 -1.58 0.07 0.00 0.00 179.01 176.83 1uty s TRP 94 N -3.94 2.49 0.43 2.06 0.52 -1.22 -0.30 118.94 118.97 1uty s TRP 94 Ca -0.01 -0.28 -0.19 0.00 0.02 0.00 0.00 56.10 55.64 1uty s TRP 94 Cb 0.11 -1.25 -0.10 0.00 -1.15 0.00 0.00 33.47 31.09 1uty s TRP 94 CO 0.57 0.47 0.91 0.15 0.02 0.00 0.00 176.95 179.08 1uty s LYS 95 N -2.60 4.11 0.04 4.98 1.02 -0.02 -4.53 119.74 122.75 1uty s LYS 95 Ca 0.22 0.98 0.01 0.00 0.02 0.00 0.00 55.97 57.19 1uty s LYS 95 Cb -0.09 -2.22 -0.03 0.00 -0.52 0.00 0.00 37.83 34.97 1uty s LYS 95 CO 0.12 -0.05 -0.05 -0.06 -0.92 0.00 0.00 175.35 174.39 1uty s PHE 96 N -2.24 0.51 -0.34 3.18 0.40 -1.26 -4.73 117.98 113.50 1uty s PHE 96 Ca 0.60 -0.68 -0.29 0.00 -0.60 0.00 0.00 56.93 55.96 1uty s PHE 96 Cb -0.09 -0.33 0.00 0.00 0.51 0.00 0.00 43.02 43.11 1uty s PHE 96 CO 0.18 -0.19 1.37 -2.00 0.70 0.00 0.00 175.22 175.28 1uty s GLU 97 N -2.29 3.77 -0.30 0.44 2.12 -0.13 -4.85 118.70 117.47 1uty s GLU 97 Ca -0.06 1.15 -0.28 0.00 0.36 0.00 0.00 54.97 56.14 1uty s GLU 97 Cb -0.04 -3.95 -0.04 0.00 0.26 0.00 0.00 34.13 30.36 1uty s GLU 97 CO -0.03 -1.31 2.08 0.20 -0.54 0.00 0.00 175.26 175.66 1uty s GLY 98 N 3.35 0.50 -0.17 -1.50 0.00 -1.26 -0.75 107.32 107.48 1uty s GLY 98 Ca 0.59 0.48 -0.08 0.00 0.00 0.00 0.00 44.72 45.71 1uty s GLY 98 CO 0.27 3.64 0.10 0.14 0.00 0.00 0.00 173.10 177.25 1uty s VAL 99 N 8.23 5.13 0.43 1.40 1.01 0.11 -4.94 120.40 131.77 1uty s VAL 99 Ca 0.92 0.08 -0.11 0.00 0.00 0.00 0.00 61.98 62.87 1uty s VAL 99 Cb -0.27 -3.30 -0.06 0.00 0.00 0.00 0.00 36.38 32.75 1uty s VAL 99 CO 0.33 0.49 0.81 -0.44 0.00 0.00 0.00 175.10 176.29 1uty s SER 100 N 0.02 6.51 -0.16 3.32 0.01 -1.26 -1.18 113.70 120.95 1uty s SER 100 Ca 0.08 1.18 -0.06 0.00 1.31 0.00 0.00 55.95 58.46 1uty s SER 100 Cb -0.12 -2.35 -0.04 0.00 0.21 0.00 0.00 66.02 63.73 1uty s SER 100 CO 0.00 -0.45 0.04 -0.69 0.41 0.00 0.00 173.24 172.55 1uty s VAL 101 N -2.46 4.57 -0.24 3.43 1.01 -1.26 -4.20 120.40 121.25 1uty s VAL 101 Ca 0.52 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.40 1uty s VAL 101 Cb -0.10 -3.02 0.06 0.00 0.00 0.00 0.00 36.38 33.31 1uty s VAL 101 CO 0.33 0.50 -0.10 -0.89 0.00 0.00 0.00 175.10 174.94 1uty s THR 102 N 0.12 1.91 0.59 3.92 2.01 0.15 -4.94 115.64 119.40 1uty s THR 102 Ca 0.03 -1.40 -0.20 0.00 0.31 0.00 0.00 61.69 60.43 1uty s THR 102 Cb -0.13 -2.05 -0.03 0.00 0.01 0.00 0.00 72.50 70.31 1uty s THR 102 CO 0.01 0.00 1.29 -2.16 -0.69 0.00 0.00 174.62 173.07 1uty s PRO 103 N 1.23 2.88 -0.04 4.92 0.04 -1.26 -0.87 135.00 141.90 1uty s PRO 103 Ca -0.06 2.06 0.02 0.00 0.04 0.00 0.00 61.00 63.05 1uty s PRO 103 Cb -0.19 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.34 1uty s PRO 103 CO -0.06 -1.34 -0.08 -1.64 0.04 0.00 0.00 177.00 173.92 1uty s MET 104 N -3.18 1.00 -0.28 4.56 -1.94 0.14 -4.84 119.30 114.77 1uty s MET 104 Ca 0.77 -0.24 -0.26 0.00 -1.71 0.00 0.00 55.69 54.25 1uty s MET 104 Cb -0.37 -0.93 0.00 0.00 2.01 0.00 0.00 34.83 35.55 1uty s MET 104 CO 0.41 0.02 0.90 0.00 -0.01 0.00 0.00 175.02 176.34 1uty s ALA 105 N 0.53 3.59 0.37 3.03 0.00 -1.26 -1.50 121.76 126.51 1uty s ALA 105 Ca -0.08 -0.16 0.06 0.00 0.00 0.00 0.00 51.96 51.78 1uty s ALA 105 Cb -0.12 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 1uty s ALA 105 CO 0.01 -1.15 0.22 0.25 0.00 0.00 0.00 175.76 175.09 1uty n THR 106 N 5.48 0.00 -4.93 0.00 -2.24 -0.09 -5.00 114.28 107.49 1uty n THR 106 Ca 0.07 -2.41 -0.27 0.00 -2.27 0.00 0.00 64.05 59.17 1uty n THR 106 Cb 0.47 1.04 -0.16 0.00 -2.10 0.00 0.00 70.33 69.59 1uty n THR 106 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1uty s ARG 107 N -3.45 1.94 0.05 -0.78 0.52 -1.26 -0.84 118.95 115.13 1uty s ARG 107 Ca 0.31 -0.68 -0.08 0.00 -0.52 0.00 0.00 55.73 54.76 1uty s ARG 107 Cb 0.01 -1.68 -0.00 0.00 0.52 0.00 0.00 34.95 33.80 1uty s ARG 107 CO 0.22 0.28 0.16 0.14 0.02 0.00 0.00 175.30 176.12 1uty s VAL 108 N -0.03 0.12 -0.09 3.52 -7.23 -0.29 -4.93 120.40 111.48 1uty s VAL 108 Ca -0.03 -1.02 -0.29 0.00 -1.81 0.00 0.00 61.98 58.82 1uty s VAL 108 Cb -0.12 -0.99 -0.05 0.00 0.56 0.00 0.00 36.38 35.78 1uty s VAL 108 CO 0.02 -0.56 1.64 -1.10 -0.31 0.00 0.00 175.10 174.79 1uty s GLN 109 N -2.83 4.10 -0.11 4.82 -0.21 -1.26 -0.91 119.66 123.26 1uty s GLN 109 Ca -0.03 2.08 0.01 0.00 0.02 0.00 0.00 55.36 57.43 1uty s GLN 109 Cb 0.00 -3.99 0.02 0.00 1.00 0.00 0.00 33.01 30.04 1uty s GLN 109 CO -0.05 -0.94 -0.11 -0.47 -2.12 0.00 0.00 175.29 171.59 1uty s TYR 110 N 4.29 1.70 -1.45 0.91 5.04 0.22 -4.76 117.35 123.31 1uty s TYR 110 Ca 0.73 -0.81 -0.06 0.00 -2.44 0.00 0.00 57.07 54.49 1uty s TYR 110 Cb -0.31 -1.30 0.04 0.00 0.35 0.00 0.00 41.96 40.74 1uty s TYR 110 CO 0.29 -0.48 0.66 0.09 -1.34 0.00 0.00 175.55 174.78 1uty n ASN 111 N 4.49 -1.91 -1.70 4.32 3.02 -1.26 -1.43 115.26 120.79 1uty n ASN 111 Ca -0.17 -0.91 -0.18 0.00 -0.03 0.00 0.00 54.58 53.29 1uty n ASN 111 Cb 0.51 -3.45 -0.04 0.00 -0.61 0.00 0.00 39.78 36.19 1uty n ASN 111 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uty n GLY 112 N -1.73 0.74 2.98 7.41 0.00 -1.26 -5.01 105.19 108.32 1uty n GLY 112 Ca -0.18 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 1uty n GLY 112 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uty s VAL 113 N -2.78 0.30 -0.28 1.61 1.01 -0.52 -5.07 120.40 114.68 1uty s VAL 113 Ca 0.00 -0.60 -0.27 0.00 0.00 0.00 0.00 61.98 61.11 1uty s VAL 113 Cb 0.00 -0.34 0.01 0.00 0.00 0.00 0.00 36.38 36.05 1uty s VAL 113 CO 0.00 -0.20 0.98 -0.04 0.00 0.00 0.00 175.10 175.84 1uty s MET 114 N -0.85 4.12 0.05 2.72 -1.94 -1.26 0.73 119.30 122.88 1uty s MET 114 Ca -0.06 1.06 0.04 0.00 -1.71 0.00 0.00 55.69 55.02 1uty s MET 114 Cb -0.06 -3.69 -0.03 0.00 2.01 0.00 0.00 34.83 33.06 1uty s MET 114 CO -0.00 -0.73 -0.12 0.08 -0.01 0.00 0.00 175.02 174.24 1uty s VAL 115 N 3.29 0.89 0.09 -6.03 1.01 -0.09 -4.94 120.40 114.63 1uty s VAL 115 Ca 0.41 -1.15 -0.31 0.00 0.00 0.00 0.00 61.98 60.94 1uty s VAL 115 Cb -0.14 -0.88 -0.07 0.00 0.00 0.00 0.00 36.38 35.29 1uty s VAL 115 CO 0.11 -0.23 1.31 -1.81 0.00 0.00 0.00 175.10 174.48 1uty s ASP 116 N -1.54 6.93 -0.02 3.32 1.01 -1.26 -1.14 116.67 123.97 1uty s ASP 116 Ca -0.04 2.20 -0.17 0.00 0.71 0.00 0.00 52.55 55.25 1uty s ASP 116 Cb -0.09 -2.58 0.03 0.00 1.01 0.00 0.00 42.92 41.28 1uty s ASP 116 CO 0.01 -0.57 0.37 0.00 0.21 0.00 0.00 175.17 175.19 1uty s ALA 117 N 1.06 -0.94 -0.14 5.23 0.00 -0.02 -4.95 121.76 122.00 1uty s ALA 117 Ca 0.62 0.50 -0.20 0.00 0.00 0.00 0.00 51.96 52.88 1uty s ALA 117 Cb -0.34 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 1uty s ALA 117 CO 0.30 -0.27 0.59 -2.00 0.00 0.00 0.00 175.76 174.38 1uty s GLU 118 N -1.24 4.31 0.04 0.00 2.12 -1.26 -0.92 118.70 121.74 1uty s GLU 118 Ca -0.13 0.61 0.09 0.00 0.36 0.00 0.00 54.97 55.91 1uty s GLU 118 Cb -0.04 -3.50 -0.03 0.00 0.26 0.00 0.00 34.13 30.82 1uty s GLU 118 CO 0.05 -0.03 -0.26 0.42 -0.54 0.00 0.00 175.26 174.89 1uty s ILE 119 N 1.22 2.17 -0.35 -3.70 -1.09 -0.56 0.12 121.20 119.01 1uty s ILE 119 Ca 0.30 -1.37 -0.11 0.00 -2.23 0.00 0.00 60.65 57.24 1uty s ILE 119 Cb -0.16 -1.84 0.00 0.00 -1.58 0.00 0.00 42.46 38.88 1uty s ILE 119 CO 0.12 0.38 0.21 -0.54 -1.23 0.00 0.00 174.94 173.88 1uty s LYS 120 N -1.22 3.18 -0.11 2.79 1.02 0.87 0.26 119.74 126.55 1uty s LYS 120 Ca 0.12 -0.84 -0.22 0.00 0.02 0.00 0.00 55.97 55.05 1uty s LYS 120 Cb -0.10 -3.72 -0.03 0.00 -0.52 0.00 0.00 37.83 33.46 1uty s LYS 120 CO 0.02 -0.55 0.64 -0.47 -0.92 0.00 0.00 175.35 174.08 1uty s TYR 121 N 1.63 3.51 -0.08 3.18 5.04 -0.05 -0.26 117.35 130.33 1uty s TYR 121 Ca 0.04 1.10 -0.01 0.00 -2.44 0.00 0.00 57.07 55.77 1uty s TYR 121 Cb -0.18 -2.76 0.03 0.00 0.35 0.00 0.00 41.96 39.40 1uty s TYR 121 CO 0.08 0.04 -0.01 0.00 -1.34 0.00 0.00 175.55 174.32 1uty s LYS 123 N 1.89 3.17 0.05 0.00 2.20 -1.26 -0.90 119.74 124.88 1uty s LYS 123 Ca 0.04 -0.76 0.01 0.00 -0.36 0.00 0.00 55.97 54.91 1uty s LYS 123 Cb -0.12 -2.95 -0.04 0.00 -1.51 0.00 0.00 37.83 33.21 1uty s LYS 123 CO -0.05 -0.26 0.10 0.20 -0.36 0.00 0.00 175.35 174.97 1uty s GLY 124 N 1.41 2.05 -0.00 5.54 0.00 -0.47 -4.69 107.32 111.15 1uty s GLY 124 Ca 0.04 -0.94 0.20 0.00 0.00 0.00 0.00 44.72 44.02 1uty s GLY 124 CO -0.05 -0.89 0.77 1.03 0.00 0.00 0.00 173.10 173.97 1uty n MET 125 N 0.66 0.49 -2.50 2.90 0.00 -1.26 -4.21 117.12 113.19 1uty n MET 125 Ca -0.09 -0.03 -0.07 0.00 0.00 0.00 0.00 57.70 57.51 1uty n MET 125 Cb 0.52 -1.44 0.01 0.00 0.00 0.00 0.00 33.22 32.31 1uty n MET 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1uty n GLY 126 N 1.45 0.33 0.43 3.03 0.00 -1.26 -4.81 105.19 104.35 1uty n GLY 126 Ca 0.02 -0.50 0.11 0.00 0.00 0.00 0.00 46.02 45.65 1uty n GLY 126 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1uty n ILE 127 N -3.60 0.00 -4.01 -0.61 -5.35 -1.26 -4.80 119.36 99.73 1uty n ILE 127 Ca -0.03 -0.22 -0.34 0.00 -0.27 0.00 0.00 62.75 61.88 1uty n ILE 127 Cb 0.54 1.11 -0.15 0.00 -1.74 0.00 0.00 39.64 39.40 1uty n ILE 127 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1uty s VAL 128 N -2.52 2.73 0.61 7.28 1.01 -1.26 -5.03 120.40 123.22 1uty s VAL 128 Ca 0.19 -0.73 -0.17 0.00 0.00 0.00 0.00 61.98 61.27 1uty s VAL 128 Cb 0.18 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 1uty s VAL 128 CO 0.58 0.47 1.12 -1.10 0.00 0.00 0.00 175.10 176.17 1uty s GLN 129 N 1.38 3.04 0.52 2.72 -0.21 -1.26 0.02 119.66 125.88 1uty s GLN 129 Ca 0.05 1.50 -0.21 0.00 0.02 0.00 0.00 55.36 56.72 1uty s GLN 129 Cb -0.14 -1.97 -0.05 0.00 1.00 0.00 0.00 33.01 31.84 1uty s GLN 129 CO -0.08 -1.08 1.25 -2.14 -2.12 0.00 0.00 175.29 171.12 1uty s PRO 130 N -3.72 3.34 -1.42 2.91 0.02 -1.26 -3.75 135.00 131.12 1uty s PRO 130 Ca 0.70 1.95 -0.09 0.00 0.02 0.00 0.00 61.00 63.59 1uty s PRO 130 Cb -0.22 -2.23 0.04 0.00 0.02 0.00 0.00 34.50 32.11 1uty s PRO 130 CO 0.35 -0.95 0.97 0.66 -0.33 0.00 0.00 177.00 177.70 1uty n TYR 131 N -0.96 -2.34 -3.44 6.54 4.02 -1.26 -4.95 117.16 114.77 1uty n TYR 131 Ca 0.10 0.92 -0.38 0.00 -0.01 0.00 0.00 57.90 58.53 1uty n TYR 131 Cb 0.47 -4.40 -0.08 0.00 -0.02 0.00 0.00 39.34 35.32 1uty n TYR 131 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 176.86 174.21 1uty s MET 132 N -6.31 4.17 0.33 -0.72 -1.94 -1.25 -5.04 119.30 108.54 1uty s MET 132 Ca 0.45 0.12 -0.28 0.00 -1.71 0.00 0.00 55.69 54.27 1uty s MET 132 Cb -0.22 -3.52 -0.13 0.00 2.01 0.00 0.00 34.83 32.98 1uty s MET 132 CO 0.80 0.01 1.25 0.54 -0.01 0.00 0.00 175.02 177.61 1uty n ARG 133 N 4.33 1.99 -2.07 2.03 1.74 -1.26 -0.84 116.66 122.57 1uty n ARG 133 Ca -0.10 0.70 -0.41 0.00 -0.77 0.00 0.00 57.85 57.27 1uty n ARG 133 Cb 0.51 -2.25 -0.00 0.00 -1.02 0.00 0.00 32.46 29.70 1uty n ARG 133 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1uty n ASN 134 N 0.94 6.53 -3.66 0.55 5.15 0.59 -4.41 115.26 120.96 1uty n ASN 134 Ca 0.06 -3.06 -0.08 0.00 -0.60 0.00 0.00 54.58 50.90 1uty n ASN 134 Cb 0.35 -1.45 -0.02 0.00 -0.53 0.00 0.00 39.78 38.14 1uty n ASN 134 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 1uty s ASP 135 N 0.89 -0.14 -0.12 1.20 -4.77 -1.26 -4.94 116.67 107.53 1uty s ASP 135 Ca 0.48 -0.80 -0.01 0.00 -3.30 0.00 0.00 52.55 48.92 1uty s ASP 135 Cb 0.14 0.73 -0.02 0.00 -1.09 0.00 0.00 42.92 42.68 1uty s ASP 135 CO -0.05 -1.39 -0.07 -0.36 0.70 0.00 0.00 175.17 174.00 1uty s PHE 136 N -3.56 2.94 0.72 2.11 0.08 -1.26 -5.10 117.98 113.92 1uty s PHE 136 Ca 0.14 -0.29 -0.14 0.00 0.12 0.00 0.00 56.93 56.76 1uty s PHE 136 Cb -0.05 -1.85 0.04 0.00 -0.57 0.00 0.00 43.02 40.58 1uty s PHE 136 CO 0.09 0.03 1.17 -0.51 -0.10 0.00 0.00 175.22 175.89 1uty s ASP 137 N 0.01 4.39 0.47 1.36 1.11 -1.26 -4.90 116.67 117.86 1uty s ASP 137 Ca -0.01 2.21 0.15 0.00 0.18 0.00 0.00 52.55 55.08 1uty s ASP 137 Cb -0.14 -2.57 1.13 0.00 1.07 0.00 0.00 42.92 42.41 1uty s ASP 137 CO 0.03 -2.13 2.05 0.03 1.18 0.00 0.00 175.17 176.34 1uty h ARG 138 N -0.36 0.24 0.00 8.23 3.08 -1.99 0.17 114.38 123.75 1uty h ARG 138 Ca -0.47 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1uty h ARG 138 Cb 1.28 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.27 1uty h ARG 138 CO 0.50 0.16 0.00 0.27 -1.07 0.00 0.00 179.97 179.83 1uty n ASN 139 N -4.48 0.31 -0.20 7.04 6.94 -1.26 -3.24 115.26 120.37 1uty n ASN 139 Ca 0.05 0.55 0.10 0.00 -0.02 0.00 0.00 54.58 55.26 1uty n ASN 139 Cb 0.26 -0.63 -0.07 0.00 -2.36 0.00 0.00 39.78 36.99 1uty n ASN 139 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1uty n GLU 140 N -1.81 0.61 -2.25 -3.83 1.02 0.03 -4.98 120.64 109.42 1uty n GLU 140 Ca 0.05 -0.40 -0.41 0.00 -0.02 0.00 0.00 57.16 56.38 1uty n GLU 140 Cb 0.29 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.21 1uty n GLU 140 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1uty s MET 141 N -2.74 4.45 0.49 3.49 -1.94 -1.09 -4.92 119.30 117.03 1uty s MET 141 Ca 0.12 2.05 -0.23 0.00 -1.71 0.00 0.00 55.69 55.92 1uty s MET 141 Cb 0.16 -3.14 -0.06 0.00 2.01 0.00 0.00 34.83 33.80 1uty s MET 141 CO 0.73 -0.08 1.29 -1.25 -0.01 0.00 0.00 175.02 175.70 1uty s PRO 142 N -1.25 3.51 -0.51 2.03 0.04 -1.26 -4.98 135.00 132.57 1uty s PRO 142 Ca 0.50 2.08 -0.26 0.00 0.04 0.00 0.00 61.00 63.36 1uty s PRO 142 Cb -0.37 -2.41 0.03 0.00 0.04 0.00 0.00 34.50 31.80 1uty s PRO 142 CO 0.46 -0.85 0.99 -0.51 0.04 0.00 0.00 177.00 177.13 1uty s ASP 143 N -1.02 6.45 -0.13 6.66 1.01 -1.26 -5.03 116.67 123.34 1uty s ASP 143 Ca 0.66 -0.02 0.01 0.00 0.71 0.00 0.00 52.55 53.91 1uty s ASP 143 Cb -0.36 -2.47 -0.01 0.00 1.01 0.00 0.00 42.92 41.09 1uty s ASP 143 CO 0.44 -1.20 -0.16 -0.76 0.21 0.00 0.00 175.17 173.70 1uty s LEU 144 N 4.07 2.50 0.37 1.23 1.43 -1.26 -5.10 118.68 121.92 1uty s LEU 144 Ca 0.37 -0.42 -0.27 0.00 -1.03 0.00 0.00 54.13 52.78 1uty s LEU 144 Cb -0.10 -1.55 -0.12 0.00 0.03 0.00 0.00 46.19 44.45 1uty s LEU 144 CO 0.24 0.14 1.19 -2.65 0.23 0.00 0.00 176.35 175.51 1uty n PRO 145 N 3.66 1.83 -0.88 1.29 -0.02 -1.26 -1.58 135.00 138.04 1uty n PRO 145 Ca -0.19 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1uty n PRO 145 Cb 0.53 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1uty n PRO 145 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uty n GLY 146 N 0.92 0.00 3.23 -1.23 0.00 -1.26 -4.94 105.19 101.92 1uty n GLY 146 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1uty n GLY 146 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uty s VAL 147 N -0.95 3.82 0.42 1.61 1.01 -0.61 -5.09 120.40 120.61 1uty s VAL 147 Ca 0.00 -1.44 -0.01 0.00 0.00 0.00 0.00 61.98 60.53 1uty s VAL 147 Cb 0.00 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 1uty s VAL 147 CO 0.00 -0.41 0.66 -0.04 0.00 0.00 0.00 175.10 175.30 1uty s MET 148 N 1.35 3.33 0.32 2.72 -1.94 -1.26 -4.61 119.30 119.22 1uty s MET 148 Ca 0.02 -0.25 -0.26 0.00 -1.71 0.00 0.00 55.69 53.48 1uty s MET 148 Cb -0.22 -2.55 -0.10 0.00 2.01 0.00 0.00 34.83 33.98 1uty s MET 148 CO 0.01 -0.10 0.98 1.03 -0.01 0.00 0.00 175.02 176.93 1uty s ARG 149 N -4.52 4.54 0.19 2.03 1.81 -1.26 -5.07 118.95 116.66 1uty s ARG 149 Ca 0.45 1.44 -0.03 0.00 -1.72 0.00 0.00 55.73 55.87 1uty s ARG 149 Cb -0.10 -2.84 -0.05 0.00 -0.45 0.00 0.00 34.95 31.51 1uty s ARG 149 CO 0.39 0.21 0.41 0.45 -0.68 0.00 0.00 175.30 176.08 1uty s SER 150 N -1.48 6.43 0.47 0.23 0.15 -1.26 -5.00 113.70 113.24 1uty s SER 150 Ca 0.50 0.52 0.27 0.00 0.70 0.00 0.00 55.95 57.93 1uty s SER 150 Cb -0.22 -2.06 0.70 0.00 -1.71 0.00 0.00 66.02 62.74 1uty s SER 150 CO 0.27 -0.03 1.74 0.78 1.20 0.00 0.00 173.24 177.21 1uty h ASN 151 N 2.28 0.00 -3.14 5.45 2.35 -2.06 -3.47 115.58 117.00 1uty h ASN 151 Ca -0.47 0.00 -0.48 0.00 -0.55 0.00 0.00 56.30 54.80 1uty h ASN 151 Cb 1.18 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.57 1uty h ASN 151 CO 0.70 0.00 -0.05 -0.31 -1.65 0.00 0.00 177.43 176.12 1uty s TYR 152 N -3.36 3.50 0.78 1.19 2.02 -1.26 -5.10 117.35 115.11 1uty s TYR 152 Ca 0.05 0.54 -0.12 0.00 -0.37 0.00 0.00 57.07 57.17 1uty s TYR 152 Cb 0.07 -2.12 0.06 0.00 -0.40 0.00 0.00 41.96 39.56 1uty s TYR 152 CO 0.62 -0.11 1.11 0.34 -1.57 0.00 0.00 175.55 175.94 1uty s ASP 153 N -4.09 4.68 0.08 2.29 -1.08 -1.26 -4.88 116.67 112.41 1uty s ASP 153 Ca 0.44 1.17 -0.34 0.00 -0.52 0.00 0.00 52.55 53.30 1uty s ASP 153 Cb -0.10 -1.89 -0.17 0.00 -1.46 0.00 0.00 42.92 39.30 1uty s ASP 153 CO 0.40 -1.83 1.60 0.16 0.52 0.00 0.00 175.17 176.02 1uty h ILE 154 N -1.00 0.17 -0.89 4.11 3.07 -1.99 0.22 117.51 121.21 1uty h ILE 154 Ca -0.47 0.00 0.13 0.00 1.55 0.00 0.00 64.86 66.07 1uty h ILE 154 Cb 1.28 0.17 -0.09 0.00 -0.27 0.00 0.00 36.82 37.91 1uty h ILE 154 CO 0.61 0.00 0.51 0.08 -1.05 0.00 0.00 178.15 178.30 1uty h ARG 155 N -0.98 0.75 0.00 0.16 -0.00 -1.95 -1.91 114.38 110.46 1uty h ARG 155 Ca -0.08 -0.04 -0.11 0.00 -0.00 0.00 0.00 59.98 59.75 1uty h ARG 155 Cb 0.80 -0.17 -0.02 0.00 -0.00 0.00 0.00 29.97 30.59 1uty h ARG 155 CO 0.06 0.49 -0.54 0.93 -0.00 0.00 0.00 179.97 180.91 1uty h GLU 156 N 0.77 0.00 -0.18 0.08 5.08 -1.92 -3.20 114.58 115.21 1uty h GLU 156 Ca 0.46 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.66 1uty h GLU 156 Cb 0.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1uty h GLU 156 CO -0.31 0.54 -0.55 1.25 -1.00 0.00 0.00 179.01 178.95 1uty h LEU 157 N 0.00 0.60 -9.12 1.33 5.85 -0.14 -3.40 115.31 110.43 1uty h LEU 157 Ca -0.01 -0.32 -0.56 0.00 0.84 0.00 0.00 57.88 57.83 1uty h LEU 157 Cb 1.09 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 1uty h LEU 157 CO 0.07 1.03 1.07 -0.13 -0.34 0.00 0.00 178.44 180.14 1uty s ARG 158 N -3.99 3.98 -0.05 1.25 0.52 -1.02 -4.84 118.95 114.80 1uty s ARG 158 Ca -0.07 1.79 0.02 0.00 -0.52 0.00 0.00 55.73 56.95 1uty s ARG 158 Cb 0.11 -3.97 0.06 0.00 0.52 0.00 0.00 34.95 31.67 1uty s ARG 158 CO 0.84 -1.06 1.05 0.00 0.02 0.00 0.00 175.30 176.15 1uty n GLN 159 N 7.31 0.20 -0.82 3.54 10.64 -1.26 -4.94 117.38 132.04 1uty n GLN 159 Ca 0.17 -1.00 0.00 0.00 -1.83 0.00 0.00 57.00 54.34 1uty n GLN 159 Cb 0.45 0.49 0.00 0.00 -0.86 0.00 0.00 30.24 30.31 1uty n GLN 159 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40