#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m4s s LEU 4 N 0.00 3.62 -0.11 3.14 1.02 -1.26 -4.40 118.68 120.68 3m4s s LEU 4 Ca 0.00 0.06 0.00 0.00 0.02 0.00 0.00 54.13 54.21 3m4s s LEU 4 Cb 0.00 -2.04 0.02 0.00 0.02 0.00 0.00 46.19 44.19 3m4s s LEU 4 CO 0.00 0.30 -0.10 -0.89 0.02 0.00 0.00 176.35 175.68 3m4s s THR 5 N -1.07 1.15 0.19 5.49 2.01 -0.80 -4.96 115.64 117.64 3m4s s THR 5 Ca 0.19 -0.38 -0.30 0.00 0.31 0.00 0.00 61.69 61.51 3m4s s THR 5 Cb -0.12 -1.13 -0.08 0.00 0.01 0.00 0.00 72.50 71.19 3m4s s THR 5 CO 0.10 0.38 1.19 -0.69 -0.69 0.00 0.00 174.62 174.91 3m4s s VAL 6 N 1.50 3.58 -0.16 3.82 1.01 -1.26 -0.19 120.40 128.71 3m4s s VAL 6 Ca 0.02 1.33 -0.05 0.00 0.00 0.00 0.00 61.98 63.28 3m4s s VAL 6 Cb -0.13 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 3m4s s VAL 6 CO -0.07 0.22 0.01 -0.69 0.00 0.00 0.00 175.10 174.57 3m4s s VAL 7 N -0.09 4.33 -0.32 2.92 1.01 -0.89 -4.94 120.40 122.42 3m4s s VAL 7 Ca 0.52 -0.21 -0.02 0.00 0.00 0.00 0.00 61.98 62.28 3m4s s VAL 7 Cb -0.32 -2.91 0.11 0.00 0.00 0.00 0.00 36.38 33.26 3m4s s VAL 7 CO 0.37 0.50 0.15 0.00 0.00 0.00 0.00 175.10 176.11 3m4s s ALA 8 N 0.20 1.05 -0.14 5.51 0.00 -1.26 -3.74 121.76 123.38 3m4s s ALA 8 Ca 0.01 -1.52 -0.25 0.00 0.00 0.00 0.00 51.96 50.20 3m4s s ALA 8 Cb -0.13 -1.54 -0.02 0.00 0.00 0.00 0.00 23.12 21.43 3m4s s ALA 8 CO 0.02 -1.78 0.79 0.45 0.00 0.00 0.00 175.76 175.24 3m4s s SER 9 N 1.62 6.96 0.00 0.00 0.15 -1.26 -4.91 113.70 116.26 3m4s s SER 9 Ca 0.12 1.17 0.21 0.00 0.70 0.00 0.00 55.95 58.15 3m4s s SER 9 Cb -0.18 -2.44 0.95 0.00 -1.71 0.00 0.00 66.02 62.63 3m4s s SER 9 CO -0.23 -0.32 1.67 -0.81 1.20 0.00 0.00 173.24 174.75 3m4s n PRO 10 N 4.84 0.10 0.13 5.44 -0.04 -1.26 -2.53 135.00 141.68 3m4s n PRO 10 Ca 0.03 0.13 0.12 0.00 -0.04 0.00 0.00 63.50 63.73 3m4s n PRO 10 Cb 0.49 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.57 3m4s n PRO 10 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3m4s h LEU 11 N 0.00 0.00-10.19 1.53 3.38 -1.94 -3.46 115.31 104.63 3m4s h LEU 11 Ca 0.00 -0.04 -0.48 0.00 0.09 0.00 0.00 57.88 57.45 3m4s h LEU 11 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3m4s h LEU 11 CO 0.00 0.02 -0.27 0.00 0.09 0.00 0.00 178.44 178.28 3m4s s ALA 12 N -3.26 3.77 -0.06 1.53 0.00 -1.05 -4.51 121.76 118.18 3m4s s ALA 12 Ca 0.04 -0.94 -0.38 0.00 0.00 0.00 0.00 51.96 50.67 3m4s s ALA 12 Cb 0.09 -2.02 -0.16 0.00 0.00 0.00 0.00 23.12 21.03 3m4s s ALA 12 CO 0.73 0.13 1.50 -2.30 0.00 0.00 0.00 175.76 175.82 3m4s n PRO 13 N -1.45 1.15 -1.68 0.00 -0.02 -1.26 -4.78 135.00 126.96 3m4s n PRO 13 Ca -0.05 0.42 -0.45 0.00 -2.02 0.00 0.00 63.50 61.39 3m4s n PRO 13 Cb 0.56 -2.07 -0.04 0.00 -0.02 0.00 0.00 33.50 31.92 3m4s n PRO 13 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3m4s n GLU 14 N 3.65 2.29 -2.04 -0.52 2.13 -1.26 -4.87 120.64 120.01 3m4s n GLU 14 Ca 0.22 0.83 -0.27 0.00 0.66 0.00 0.00 57.16 58.60 3m4s n GLU 14 Cb 0.17 -2.62 -0.05 0.00 0.27 0.00 0.00 31.44 29.20 3m4s n GLU 14 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3m4s s ALA 15 N 1.34 1.67 -0.51 4.31 0.00 -1.26 -4.91 121.76 122.40 3m4s s ALA 15 Ca 0.80 -1.59 -0.17 0.00 0.00 0.00 0.00 51.96 51.00 3m4s s ALA 15 Cb -0.64 -4.57 0.08 0.00 0.00 0.00 0.00 23.12 17.99 3m4s s ALA 15 CO 0.38 -4.90 0.50 0.14 0.00 0.00 0.00 175.76 171.89 3m4s s VAL 16 N 10.30 5.10 -4.64 0.00 -7.23 -1.26 -4.86 120.40 117.80 3m4s s VAL 16 Ca 0.70 -0.99 0.00 0.00 -1.81 0.00 0.00 61.98 59.88 3m4s s VAL 16 Cb -0.06 -4.25 0.00 0.00 0.56 0.00 0.00 36.38 32.64 3m4s s VAL 16 CO 0.01 -0.75 0.00 0.61 -0.31 0.00 0.00 175.10 174.67 3m4s n GLY 17 N 5.21 0.95 2.56 2.32 0.00 -1.26 -4.91 105.19 110.06 3m4s n GLY 17 Ca -0.11 -1.93 -0.31 0.00 0.00 0.00 0.00 46.02 43.68 3m4s n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m4s n ALA 18 N -1.00 6.37 -2.78 4.61 0.00 -1.26 -4.83 120.51 121.62 3m4s n ALA 18 Ca 0.00 -3.29 -0.10 0.00 0.00 0.00 0.00 53.44 50.05 3m4s n ALA 18 Cb 0.00 -2.02 -0.07 0.00 0.00 0.00 0.00 19.45 17.36 3m4s n ALA 18 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3m4s s TYR 19 N -2.56 0.02 0.13 0.00 -0.85 -1.26 -5.16 117.35 107.67 3m4s s TYR 19 Ca 0.55 -0.33 0.08 0.00 -0.52 0.00 0.00 57.07 56.85 3m4s s TYR 19 Cb 0.40 0.03 -0.04 0.00 0.38 0.00 0.00 41.96 42.72 3m4s s TYR 19 CO -0.25 -0.54 -0.12 -1.12 -1.52 0.00 0.00 175.55 172.00 3m4s s SER 20 N -2.54 4.23 0.25 -0.18 0.01 -1.26 -4.73 113.70 109.48 3m4s s SER 20 Ca 0.01 -0.49 -0.04 0.00 1.31 0.00 0.00 55.95 56.74 3m4s s SER 20 Cb 0.02 -0.73 0.44 0.00 0.21 0.00 0.00 66.02 65.96 3m4s s SER 20 CO -0.08 0.15 1.77 1.56 0.41 0.00 0.00 173.24 177.05 3m4s h GLN 21 N 3.42 0.60 -3.21 12.44 4.20 -1.93 -3.41 115.11 127.23 3m4s h GLN 21 Ca -0.48 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.19 3m4s h GLN 21 Cb 1.18 -0.14 -0.09 0.00 0.30 0.00 0.00 27.48 28.73 3m4s h GLN 21 CO 0.51 0.40 0.10 0.00 -0.67 0.00 0.00 178.83 179.17 3m4s s ALA 22 N -6.01 -1.04 -0.02 3.87 0.00 -1.25 -0.63 121.76 116.67 3m4s s ALA 22 Ca -0.12 -0.21 0.03 0.00 0.00 0.00 0.00 51.96 51.66 3m4s s ALA 22 Cb 0.20 0.88 0.00 0.00 0.00 0.00 0.00 23.12 24.20 3m4s s ALA 22 CO 0.77 -0.87 -0.10 0.42 0.00 0.00 0.00 175.76 175.98 3m4s s ILE 23 N -3.88 0.86 -0.08 0.00 -1.09 -0.37 -2.10 121.20 114.55 3m4s s ILE 23 Ca 0.10 -0.41 -0.14 0.00 -2.23 0.00 0.00 60.65 57.96 3m4s s ILE 23 Cb -0.02 -0.76 -0.05 0.00 -1.58 0.00 0.00 42.46 40.05 3m4s s ILE 23 CO -0.01 0.26 0.35 -0.63 -1.23 0.00 0.00 174.94 173.69 3m4s s ILE 24 N 0.11 5.19 -0.20 2.92 1.01 0.74 -1.00 121.20 129.97 3m4s s ILE 24 Ca -0.02 0.69 -0.12 0.00 0.00 0.00 0.00 60.65 61.20 3m4s s ILE 24 Cb -0.08 -3.66 0.06 0.00 0.01 0.00 0.00 42.46 38.79 3m4s s ILE 24 CO 0.00 0.49 0.49 0.00 0.00 0.00 0.00 174.94 175.93 3m4s n ASN 26 N 4.03 -0.00 -0.27 0.00 3.02 -1.26 0.03 115.26 120.81 3m4s n ASN 26 Ca -0.21 -1.20 -0.03 0.00 -0.03 0.00 0.00 54.58 53.11 3m4s n ASN 26 Cb 0.56 -1.99 -0.01 0.00 -0.61 0.00 0.00 39.78 37.72 3m4s n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3m4s n GLY 27 N -2.16 0.64 3.29 7.41 0.00 -1.26 -5.03 105.19 108.09 3m4s n GLY 27 Ca -0.23 -0.50 -0.23 0.00 0.00 0.00 0.00 46.02 45.05 3m4s n GLY 27 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3m4s s MET 28 N -1.74 1.14 -0.25 1.61 -1.94 0.10 -2.47 119.30 115.77 3m4s s MET 28 Ca 0.00 -1.20 0.01 0.00 -1.71 0.00 0.00 55.69 52.79 3m4s s MET 28 Cb 0.00 -1.37 0.04 0.00 2.01 0.00 0.00 34.83 35.52 3m4s s MET 28 CO 0.00 0.31 -0.10 0.08 -0.01 0.00 0.00 175.02 175.30 3m4s s VAL 29 N -1.31 2.43 -0.43 -6.03 1.01 0.36 -0.06 120.40 116.37 3m4s s VAL 29 Ca 0.08 -1.34 -0.15 0.00 0.00 0.00 0.00 61.98 60.57 3m4s s VAL 29 Cb -0.09 -2.31 0.04 0.00 0.00 0.00 0.00 36.38 34.02 3m4s s VAL 29 CO 0.05 0.11 0.34 -0.31 0.00 0.00 0.00 175.10 175.29 3m4s s TYR 30 N 1.21 3.23 -0.11 5.22 2.02 -0.17 0.41 117.35 129.16 3m4s s TYR 30 Ca -0.04 -0.67 -0.13 0.00 -0.37 0.00 0.00 57.07 55.86 3m4s s TYR 30 Cb -0.18 -2.79 -0.05 0.00 -0.40 0.00 0.00 41.96 38.54 3m4s s TYR 30 CO -0.06 -0.66 0.31 0.00 -1.57 0.00 0.00 175.55 173.57 3m4s n SER 32 N 2.90 -1.35 -4.65 0.00 7.64 0.20 -3.28 113.62 115.08 3m4s n SER 32 Ca -0.13 0.41 -0.43 0.00 1.01 0.00 0.00 58.87 59.73 3m4s n SER 32 Cb 0.52 -1.27 -0.02 0.00 -1.01 0.00 0.00 64.21 62.44 3m4s n SER 32 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3m4s s GLY 33 N -1.99 1.59 0.36 0.23 0.00 -1.26 -4.45 107.32 101.79 3m4s s GLY 33 Ca 0.61 0.08 -0.16 0.00 0.00 0.00 0.00 44.72 45.25 3m4s s GLY 33 CO 0.63 2.30 0.79 1.20 0.00 0.00 0.00 173.10 178.02 3m4s s GLN 34 N 3.56 4.04 0.35 2.90 -1.52 0.14 -4.80 119.66 124.33 3m4s s GLN 34 Ca 0.47 0.77 0.09 0.00 -1.95 0.00 0.00 55.36 54.74 3m4s s GLN 34 Cb -0.14 -2.36 -0.06 0.00 -0.22 0.00 0.00 33.01 30.22 3m4s s GLN 34 CO 0.13 0.09 -0.05 0.96 -0.25 0.00 0.00 175.29 176.18 3m4s s ILE 35 N -2.06 2.35 -0.22 1.08 -4.36 -1.26 -1.99 121.20 114.73 3m4s s ILE 35 Ca 0.56 -2.11 -0.05 0.00 -0.26 0.00 0.00 60.65 58.79 3m4s s ILE 35 Cb -0.10 -2.72 -0.19 0.00 1.25 0.00 0.00 42.46 40.70 3m4s s ILE 35 CO 0.17 -0.18 2.89 0.61 0.24 0.00 0.00 174.94 178.67 3m4s n GLY 36 N -0.86 2.77 3.78 6.27 0.00 -1.26 -4.60 105.19 111.29 3m4s n GLY 36 Ca -0.05 -0.99 -0.39 0.00 0.00 0.00 0.00 46.02 44.59 3m4s n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m4s s LEU 37 N 0.02 4.50 -0.35 0.99 1.43 -1.26 0.23 118.68 124.24 3m4s s LEU 37 Ca 0.53 1.35 -0.19 0.00 -1.03 0.00 0.00 54.13 54.79 3m4s s LEU 37 Cb 0.23 -3.05 -0.00 0.00 0.03 0.00 0.00 46.19 43.40 3m4s s LEU 37 CO -0.01 0.17 0.57 -0.62 0.23 0.00 0.00 176.35 176.69 3m4s s ASP 38 N -0.69 6.37 0.55 2.29 -1.08 -0.45 -4.59 116.67 119.07 3m4s s ASP 38 Ca 0.33 0.05 0.38 0.00 -0.52 0.00 0.00 52.55 52.79 3m4s s ASP 38 Cb -0.20 -2.30 1.56 0.00 -1.46 0.00 0.00 42.92 40.53 3m4s s ASP 38 CO 0.21 -0.53 1.76 0.08 0.52 0.00 0.00 175.17 177.21 3m4s h ARG 39 N 8.46 0.00 0.00 4.34 0.11 -1.86 -1.19 114.38 124.23 3m4s h ARG 39 Ca -0.27 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.62 3m4s h ARG 39 Cb 1.12 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.17 3m4s h ARG 39 CO 0.80 0.00 -0.91 0.87 0.10 0.00 0.00 179.97 180.83 3m4s h LYS 40 N 0.00 0.00 0.00 0.08 1.57 -1.92 -3.27 116.57 113.03 3m4s h LYS 40 Ca 0.60 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.38 3m4s h LYS 40 Cb 2.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.77 3m4s h LYS 40 CO -0.01 0.91 -1.20 0.25 -0.57 0.00 0.00 179.45 178.83 3m4s n THR 41 N -3.34 0.06 -1.14 -0.16 -2.24 -0.80 -4.98 114.28 101.69 3m4s n THR 41 Ca 0.00 -0.19 -0.05 0.00 -2.27 0.00 0.00 64.05 61.55 3m4s n THR 41 Cb 0.90 0.49 -0.02 0.00 -2.10 0.00 0.00 70.33 69.60 3m4s n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3m4s n GLY 42 N 1.40 0.66 3.56 3.38 0.00 -0.52 -4.98 105.19 108.69 3m4s n GLY 42 Ca 0.02 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 3m4s n GLY 42 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3m4s s ASP 43 N -2.37 0.62 0.33 1.61 -1.08 -1.24 -4.95 116.67 109.60 3m4s s ASP 43 Ca 0.00 -1.35 -0.29 0.00 -0.52 0.00 0.00 52.55 50.39 3m4s s ASP 43 Cb 0.00 0.68 -0.11 0.00 -1.46 0.00 0.00 42.92 42.03 3m4s s ASP 43 CO 0.00 -1.34 1.52 -0.36 0.52 0.00 0.00 175.17 175.51 3m4s s PHE 44 N -3.07 2.70 0.30 -5.34 0.08 -1.26 -1.34 117.98 110.05 3m4s s PHE 44 Ca 0.27 1.02 0.05 0.00 0.12 0.00 0.00 56.93 58.39 3m4s s PHE 44 Cb -0.01 -4.01 0.72 0.00 -0.57 0.00 0.00 43.02 39.15 3m4s s PHE 44 CO 0.17 -3.15 1.77 0.00 -0.10 0.00 0.00 175.22 173.91 3m4s h ALA 45 N 3.88 1.62 -1.82 5.36 0.00 -0.54 -3.45 119.26 124.31 3m4s h ALA 45 Ca -0.49 0.09 0.31 0.00 0.00 0.00 0.00 54.91 54.81 3m4s h ALA 45 Cb 1.23 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.87 3m4s h ALA 45 CO 0.71 -0.08 0.81 0.20 0.00 0.00 0.00 179.25 180.89 3m4s s GLY 46 N -3.72 -0.26 -0.02 0.00 0.00 -1.26 -5.00 107.32 97.07 3m4s s GLY 46 Ca -0.11 0.35 0.09 0.00 0.00 0.00 0.00 44.72 45.04 3m4s s GLY 46 CO 0.80 2.09 1.19 0.28 0.00 0.00 0.00 173.10 177.46 3m4s n LYS 47 N -0.64 1.87 -4.24 2.90 4.76 -1.26 -4.38 118.16 117.16 3m4s n LYS 47 Ca -0.04 -1.14 -0.27 0.00 -2.87 0.00 0.00 58.31 53.99 3m4s n LYS 47 Cb 0.61 -1.34 -0.08 0.00 -1.84 0.00 0.00 35.03 32.38 3m4s n LYS 47 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3m4s s THR 48 N -1.61 3.51 0.41 -0.18 -4.23 -1.26 -5.02 115.64 107.26 3m4s s THR 48 Ca 0.21 -1.50 0.08 0.00 -1.18 0.00 0.00 61.69 59.29 3m4s s THR 48 Cb 0.12 -2.75 0.28 0.00 1.34 0.00 0.00 72.50 71.48 3m4s s THR 48 CO 0.13 -0.10 2.04 -0.29 -0.54 0.00 0.00 174.62 175.86 3m4s h ILE 49 N 2.60 1.08 -0.20 2.99 6.09 -1.96 -1.22 117.51 126.88 3m4s h ILE 49 Ca -0.47 -0.20 -0.03 0.00 -1.37 0.00 0.00 64.86 62.80 3m4s h ILE 49 Cb 1.20 0.45 -0.01 0.00 0.47 0.00 0.00 36.82 38.94 3m4s h ILE 49 CO 0.56 0.10 0.02 -0.33 -3.07 0.00 0.00 178.15 175.44 3m4s h GLU 50 N 0.57 0.34 0.29 2.19 3.07 -1.96 -0.22 114.58 118.87 3m4s h GLU 50 Ca 0.18 -0.10 -0.01 0.00 -0.50 0.00 0.00 59.36 58.93 3m4s h GLU 50 Cb 0.04 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3m4s h GLU 50 CO -0.04 0.51 -0.14 0.93 -1.40 0.00 0.00 179.01 178.87 3m4s h GLU 51 N 0.13 -0.37 -0.70 2.33 5.08 -1.79 -1.91 114.58 117.34 3m4s h GLU 51 Ca 0.06 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3m4s h GLU 51 Cb 0.34 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 3m4s h GLU 51 CO 0.01 -0.10 0.43 1.96 -1.00 0.00 0.00 179.01 180.30 3m4s h GLN 52 N -0.62 0.94 -0.17 2.33 4.20 -1.17 -0.12 115.11 120.50 3m4s h GLN 52 Ca -0.04 -0.08 -0.10 0.00 0.06 0.00 0.00 58.65 58.50 3m4s h GLN 52 Cb 0.44 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 3m4s h GLN 52 CO 0.07 0.66 -0.27 0.77 -0.67 0.00 0.00 178.83 179.38 3m4s h SER 53 N 0.96 0.54 0.17 1.46 0.02 -0.99 0.25 113.55 115.95 3m4s h SER 53 Ca 0.25 -0.53 -0.00 0.00 -0.84 0.00 0.00 61.79 60.68 3m4s h SER 53 Cb -0.05 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 3m4s h SER 53 CO -0.05 0.96 -0.13 0.11 -1.14 0.00 0.00 176.83 176.58 3m4s h LYS 54 N 0.13 -0.29 -0.95 3.45 1.57 -0.53 0.32 116.57 120.28 3m4s h LYS 54 Ca 0.02 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 58.92 3m4s h LYS 54 Cb 0.85 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 33.15 3m4s h LYS 54 CO 0.06 -0.19 0.61 0.37 -0.57 0.00 0.00 179.45 179.72 3m4s h GLN 55 N -0.30 0.92 -0.11 3.15 5.75 -0.97 -0.19 115.11 123.36 3m4s h GLN 55 Ca -0.01 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 3m4s h GLN 55 Cb 0.27 -0.21 -0.00 0.00 1.07 0.00 0.00 27.48 28.61 3m4s h GLN 55 CO -0.01 0.61 0.04 0.28 -2.65 0.00 0.00 178.83 177.11 3m4s h VAL 56 N 0.95 1.14 -0.00 2.39 2.07 0.50 0.26 116.25 123.56 3m4s h VAL 56 Ca 0.45 -0.42 -0.09 0.00 0.82 0.00 0.00 66.70 67.46 3m4s h VAL 56 Cb 0.43 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 3m4s h VAL 56 CO -0.21 0.12 -0.44 0.24 0.02 0.00 0.00 177.57 177.30 3m4s h MET 57 N 0.02 0.01 -0.22 1.57 2.86 -0.51 -0.96 114.93 117.70 3m4s h MET 57 Ca 0.04 -0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.54 3m4s h MET 57 Cb 0.16 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.82 3m4s h MET 57 CO -0.00 0.45 -0.38 1.15 1.06 0.00 0.00 176.91 179.18 3m4s h THR 58 N 0.00 1.32 -0.43 2.22 2.02 -0.86 -1.63 112.91 115.56 3m4s h THR 58 Ca -0.00 -1.60 0.04 0.00 0.77 0.00 0.00 66.41 65.62 3m4s h THR 58 Cb 0.79 1.80 -0.04 0.00 -1.74 0.00 0.00 68.15 68.96 3m4s h THR 58 CO 0.06 0.50 0.20 0.78 0.37 0.00 0.00 175.52 177.43 3m4s h ASN 59 N 0.34 0.27 -0.81 4.18 2.35 0.27 -1.12 115.58 121.06 3m4s h ASN 59 Ca 0.01 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 3m4s h ASN 59 Cb 0.98 -0.02 -0.04 0.00 0.05 0.00 0.00 38.32 39.29 3m4s h ASN 59 CO 0.09 0.20 0.35 -0.07 -1.65 0.00 0.00 177.43 176.34 3m4s h LEU 60 N 0.40 1.10 0.00 1.61 3.38 -1.20 -0.81 115.31 119.80 3m4s h LEU 60 Ca 0.19 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.03 3m4s h LEU 60 Cb 0.12 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 3m4s h LEU 60 CO -0.15 0.95 -0.23 0.50 0.09 0.00 0.00 178.44 179.61 3m4s h LYS 61 N 1.17 -0.35 -0.74 1.13 3.64 -0.81 0.13 116.57 120.75 3m4s h LYS 61 Ca 0.27 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 3m4s h LYS 61 Cb 0.18 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.05 3m4s h LYS 61 CO -0.03 -0.23 0.41 1.88 -2.27 0.00 0.00 179.45 179.22 3m4s h TYR 62 N -0.36 0.99 -0.40 1.91 0.05 -0.82 -0.47 116.97 117.87 3m4s h TYR 62 Ca 0.06 -0.01 -0.11 0.00 0.05 0.00 0.00 58.73 58.72 3m4s h TYR 62 Cb 0.44 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 37.85 3m4s h TYR 62 CO -0.27 0.68 -0.17 0.28 -1.05 0.00 0.00 178.16 177.64 3m4s h VAL 63 N 1.03 1.28 -0.27 -2.88 2.07 -0.31 -0.80 116.25 116.37 3m4s h VAL 63 Ca 0.26 -1.30 -0.00 0.00 0.82 0.00 0.00 66.70 66.48 3m4s h VAL 63 Cb 0.01 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3m4s h VAL 63 CO -0.04 0.43 0.15 -0.07 0.02 0.00 0.00 177.57 178.06 3m4s h LEU 64 N 0.64 0.33 -0.59 2.57 3.38 -0.33 -1.55 115.31 119.76 3m4s h LEU 64 Ca 0.09 -0.08 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 3m4s h LEU 64 Cb 0.72 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3m4s h LEU 64 CO 0.05 0.31 -0.47 -0.33 0.09 0.00 0.00 178.44 178.10 3m4s h GLU 65 N 0.33 0.58 -0.83 1.13 5.08 -0.92 0.15 114.58 120.09 3m4s h GLU 65 Ca 0.10 -0.32 0.07 0.00 -1.00 0.00 0.00 59.36 58.20 3m4s h GLU 65 Cb 0.05 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 3m4s h GLU 65 CO -0.02 0.92 0.54 1.49 -1.00 0.00 0.00 179.01 180.95 3m4s h GLU 66 N 0.46 0.88 0.00 2.33 4.57 -0.84 -0.52 114.58 121.47 3m4s h GLU 66 Ca 0.03 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3m4s h GLU 66 Cb 0.99 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.38 3m4s h GLU 66 CO 0.09 0.58 0.00 0.00 -1.18 0.00 0.00 179.01 178.50 3m4s n ALA 67 N -2.42 1.83 -0.16 2.92 0.00 -0.59 -4.84 120.51 117.25 3m4s n ALA 67 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3m4s n ALA 67 Cb 0.22 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3m4s n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m4s n GLY 68 N 0.36 0.59 0.00 0.00 0.00 -0.20 -5.03 105.19 100.91 3m4s n GLY 68 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3m4s n GLY 68 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3m4s n SER 69 N 0.00 0.00 -3.46 1.61 2.88 0.44 -4.88 113.62 110.21 3m4s n SER 69 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 3m4s n SER 69 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3m4s n SER 69 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3m4s s SER 70 N -1.00 -0.09 0.27 -3.46 1.04 -1.26 -3.71 113.70 105.50 3m4s s SER 70 Ca 0.00 -0.68 -0.02 0.00 0.48 0.00 0.00 55.95 55.73 3m4s s SER 70 Cb 0.00 0.60 0.37 0.00 0.10 0.00 0.00 66.02 67.09 3m4s s SER 70 CO 0.00 -1.15 1.84 0.24 0.98 0.00 0.00 173.24 175.15 3m4s h MET 71 N 2.00 0.91 0.00 4.02 2.86 -1.94 -1.99 114.93 120.80 3m4s h MET 71 Ca -0.26 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.21 3m4s h MET 71 Cb 1.23 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.74 3m4s h MET 71 CO 0.32 0.77 -0.02 -0.44 1.06 0.00 0.00 176.91 178.60 3m4s h ASP 72 N 0.89 0.00 -0.59 1.22 3.32 -1.95 -2.16 116.42 117.15 3m4s h ASP 72 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3m4s h ASP 72 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3m4s h ASP 72 CO -0.01 0.02 0.00 0.29 -1.72 0.00 0.00 179.24 177.81 3m4s n LYS 73 N -3.19 3.41 -2.46 3.56 5.02 -0.75 -4.94 118.16 118.81 3m4s n LYS 73 Ca -0.02 -2.74 -0.42 0.00 -2.02 0.00 0.00 58.31 53.10 3m4s n LYS 73 Cb 0.16 -1.76 -0.03 0.00 -0.02 0.00 0.00 35.03 33.39 3m4s n LYS 73 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3m4s s VAL 74 N -1.69 4.27 -0.13 -0.18 1.01 -0.81 -1.17 120.40 121.70 3m4s s VAL 74 Ca 0.46 1.58 0.06 0.00 0.00 0.00 0.00 61.98 64.09 3m4s s VAL 74 Cb 0.29 -4.02 -0.23 0.00 0.00 0.00 0.00 36.38 32.42 3m4s s VAL 74 CO 0.24 -0.03 0.31 0.52 0.00 0.00 0.00 175.10 176.14 3m4s n VAL 75 N 4.74 1.60 -3.65 2.92 0.31 0.06 -4.42 118.33 119.89 3m4s n VAL 75 Ca 0.11 -0.73 -0.14 0.00 -0.01 0.00 0.00 64.34 63.57 3m4s n VAL 75 Cb 0.46 -1.19 -0.08 0.00 -0.91 0.00 0.00 33.84 32.12 3m4s n VAL 75 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3m4s s LYS 76 N -2.55 0.78 0.20 5.55 2.47 -1.07 -1.62 119.74 123.49 3m4s s LYS 76 Ca -0.16 0.67 0.06 0.00 -1.56 0.00 0.00 55.97 54.98 3m4s s LYS 76 Cb 0.07 0.37 -0.05 0.00 -1.46 0.00 0.00 37.83 36.77 3m4s s LYS 76 CO 0.77 -0.14 -0.11 0.95 0.16 0.00 0.00 175.35 176.98 3m4s s THR 77 N -0.07 1.52 -0.13 3.43 -4.23 0.06 -0.27 115.64 115.94 3m4s s THR 77 Ca -0.03 -2.15 -0.00 0.00 -1.18 0.00 0.00 61.69 58.33 3m4s s THR 77 Cb -0.04 -2.05 0.03 0.00 1.34 0.00 0.00 72.50 71.78 3m4s s THR 77 CO 0.03 -0.59 -0.08 -0.89 -0.54 0.00 0.00 174.62 172.55 3m4s s THR 78 N -3.11 1.12 -0.24 3.99 2.01 -0.60 -1.86 115.64 116.95 3m4s s THR 78 Ca 0.22 -0.44 -0.08 0.00 0.31 0.00 0.00 61.69 61.70 3m4s s THR 78 Cb 0.01 -1.17 -0.04 0.00 0.01 0.00 0.00 72.50 71.31 3m4s s THR 78 CO 0.06 0.30 0.10 0.00 -0.69 0.00 0.00 174.62 174.39 3m4s s LEU 80 N 1.34 2.76 0.03 0.00 1.02 0.34 -2.63 118.68 121.53 3m4s s LEU 80 Ca 0.06 -0.30 0.05 0.00 0.02 0.00 0.00 54.13 53.96 3m4s s LEU 80 Cb -0.15 -1.62 -0.03 0.00 0.02 0.00 0.00 46.19 44.41 3m4s s LEU 80 CO 0.05 0.19 -0.10 -0.76 0.02 0.00 0.00 176.35 175.74 3m4s s LEU 81 N 0.22 3.00 0.32 1.79 1.43 -0.24 -0.51 118.68 124.69 3m4s s LEU 81 Ca -0.08 -0.26 0.10 0.00 -1.03 0.00 0.00 54.13 52.86 3m4s s LEU 81 Cb -0.15 -1.75 0.54 0.00 0.03 0.00 0.00 46.19 44.86 3m4s s LEU 81 CO 0.05 0.26 1.73 0.00 0.23 0.00 0.00 176.35 178.62 3m4s h ALA 82 N 4.37 1.19 -3.37 4.21 0.00 -1.38 0.15 119.26 124.44 3m4s h ALA 82 Ca -0.48 -0.42 -0.40 0.00 0.00 0.00 0.00 54.91 53.61 3m4s h ALA 82 Cb 1.16 -0.08 -0.36 0.00 0.00 0.00 0.00 17.79 18.51 3m4s h ALA 82 CO 0.52 0.58 -0.76 0.34 0.00 0.00 0.00 179.25 179.93 3m4s s ASP 83 N -6.90 1.12 0.38 0.00 -1.08 -1.26 -4.64 116.67 104.28 3m4s s ASP 83 Ca -0.03 -0.07 0.18 0.00 -0.52 0.00 0.00 52.55 52.10 3m4s s ASP 83 Cb 0.14 -0.37 0.73 0.00 -1.46 0.00 0.00 42.92 41.95 3m4s s ASP 83 CO 0.75 -0.14 1.77 -0.29 0.52 0.00 0.00 175.17 177.78 3m4s h ILE 84 N 6.26 0.98 0.00 4.11 6.09 -1.94 -2.13 117.51 130.88 3m4s h ILE 84 Ca -0.29 -1.45 0.00 0.00 -1.37 0.00 0.00 64.86 61.75 3m4s h ILE 84 Cb 1.13 1.85 0.00 0.00 0.47 0.00 0.00 36.82 40.28 3m4s h ILE 84 CO 0.36 0.37 0.00 0.29 -3.07 0.00 0.00 178.15 176.10 3m4s n LYS 85 N -3.67 0.06 -0.03 2.19 4.76 -1.26 -1.45 118.16 118.77 3m4s n LYS 85 Ca -0.01 0.26 0.11 0.00 -2.87 0.00 0.00 58.31 55.80 3m4s n LYS 85 Cb 0.48 -1.50 0.54 0.00 -1.84 0.00 0.00 35.03 32.71 3m4s n LYS 85 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3m4s n ASP 86 N -1.42 0.80 -0.22 4.39 8.00 -0.80 -4.46 116.55 122.85 3m4s n ASP 86 Ca 0.04 -1.47 -0.01 0.00 0.71 0.00 0.00 54.79 54.05 3m4s n ASP 86 Cb 0.11 -0.04 0.10 0.00 -0.02 0.00 0.00 41.12 41.28 3m4s n ASP 86 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3m4s h PHE 87 N 1.12 0.60 0.05 1.24 3.57 -1.44 0.08 116.94 122.17 3m4s h PHE 87 Ca 0.00 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 3m4s h PHE 87 Cb 0.24 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.81 3m4s h PHE 87 CO 0.04 0.26 -0.02 0.78 -2.23 0.00 0.00 178.31 177.13 3m4s h GLY 88 N 0.60 -0.07 0.18 2.40 0.00 -1.85 0.12 103.07 104.45 3m4s h GLY 88 Ca 0.30 0.03 0.07 0.00 0.00 0.00 0.00 47.33 47.72 3m4s h GLY 88 CO -0.21 -0.03 -0.19 -2.08 0.00 0.00 0.00 176.54 174.04 3m4s h VAL 89 N -0.54 0.47 -0.60 4.60 2.07 -1.84 -1.28 116.25 119.14 3m4s h VAL 89 Ca -0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 3m4s h VAL 89 Cb 0.48 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 3m4s h VAL 89 CO 0.01 0.00 0.31 0.15 0.02 0.00 0.00 177.57 178.06 3m4s h PHE 90 N -0.15 0.84 -0.34 1.57 3.57 -0.85 -2.56 116.94 119.00 3m4s h PHE 90 Ca 0.16 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3m4s h PHE 90 Cb 0.39 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 3m4s h PHE 90 CO -0.38 0.62 0.19 -0.97 -2.23 0.00 0.00 178.31 175.54 3m4s h ASN 91 N 0.81 0.43 -0.71 0.41 -0.73 -0.31 0.23 115.58 115.72 3m4s h ASN 91 Ca 0.21 -0.09 0.15 0.00 1.87 0.00 0.00 56.30 58.44 3m4s h ASN 91 Cb 0.08 -0.11 -0.11 0.00 0.27 0.00 0.00 38.32 38.45 3m4s h ASN 91 CO -0.03 0.39 0.15 1.23 -0.37 0.00 0.00 177.43 178.80 3m4s h GLY 92 N 0.43 0.95 1.07 1.57 0.00 -1.03 0.59 103.07 106.64 3m4s h GLY 92 Ca 0.12 -0.02 -0.14 0.00 0.00 0.00 0.00 47.33 47.29 3m4s h GLY 92 CO -0.02 -0.19 -0.29 -2.22 0.00 0.00 0.00 176.54 173.82 3m4s h ILE 93 N 0.25 1.28 -0.85 2.60 2.04 -0.89 -1.23 117.51 120.70 3m4s h ILE 93 Ca 0.39 -1.45 0.01 0.00 1.00 0.00 0.00 64.86 64.81 3m4s h ILE 93 Cb 0.66 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 38.04 3m4s h ILE 93 CO -0.50 0.49 0.57 0.22 0.00 0.00 0.00 178.15 178.92 3m4s h TYR 94 N 0.70 1.07 0.25 1.37 3.20 0.13 -2.13 116.97 121.57 3m4s h TYR 94 Ca 0.07 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 3m4s h TYR 94 Cb 0.87 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.78 3m4s h TYR 94 CO 0.06 0.67 -0.12 0.00 -1.64 0.00 0.00 178.16 177.13 3m4s h ALA 95 N 1.32 -0.34 -0.88 1.82 0.00 0.55 -2.09 119.26 119.63 3m4s h ALA 95 Ca 0.32 -0.15 0.21 0.00 0.00 0.00 0.00 54.91 55.28 3m4s h ALA 95 Cb -0.12 0.13 -0.12 0.00 0.00 0.00 0.00 17.79 17.68 3m4s h ALA 95 CO -0.07 -0.59 0.39 0.93 0.00 0.00 0.00 179.25 179.91 3m4s h GLU 96 N -0.55 0.42 -0.17 0.00 5.08 -1.19 0.47 114.58 118.63 3m4s h GLU 96 Ca -0.03 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3m4s h GLU 96 Cb 0.41 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3m4s h GLU 96 CO 0.06 0.27 0.10 0.00 -1.00 0.00 0.00 179.01 178.44 3m4s h ALA 97 N 1.68 0.22 0.00 3.43 0.00 -0.95 -3.28 119.26 120.36 3m4s h ALA 97 Ca 0.54 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.40 3m4s h ALA 97 Cb 0.98 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3m4s h ALA 97 CO -0.50 -0.26 -1.17 1.19 0.00 0.00 0.00 179.25 178.51 3m4s n PHE 98 N -4.93 0.41 0.00 0.00 3.72 -0.83 -5.02 117.46 110.82 3m4s n PHE 98 Ca -0.04 0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 3m4s n PHE 98 Cb 0.06 -0.59 0.00 0.00 -0.94 0.00 0.00 39.48 38.02 3m4s n PHE 98 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3m4s n GLY 99 N 1.30 3.64 0.46 1.37 0.00 0.16 -0.50 105.19 111.62 3m4s n GLY 99 Ca 0.00 0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.37 3m4s n GLY 99 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3m4s n ASN 100 N 9.26 1.70 -4.74 1.61 3.02 -1.26 -4.78 115.26 120.07 3m4s n ASN 100 Ca 0.00 -1.35 -0.41 0.00 -0.03 0.00 0.00 54.58 52.79 3m4s n ASN 100 Cb 0.00 0.20 -0.04 0.00 -0.61 0.00 0.00 39.78 39.33 3m4s n ASN 100 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3m4s s HIS 101 N -2.34 3.67 -0.36 3.10 2.46 0.34 -5.01 115.29 117.15 3m4s s HIS 101 Ca 0.25 1.67 0.00 0.00 0.47 0.00 0.00 55.06 57.46 3m4s s HIS 101 Cb 0.19 -3.21 0.14 0.00 -0.13 0.00 0.00 32.58 29.58 3m4s s HIS 101 CO 0.47 -0.36 0.22 0.15 -2.47 0.00 0.00 174.74 172.75 3m4s s LYS 102 N -0.40 0.61 0.95 2.88 1.02 -1.26 -4.71 119.74 118.82 3m4s s LYS 102 Ca 0.48 -1.41 -0.12 0.00 0.02 0.00 0.00 55.97 54.94 3m4s s LYS 102 Cb -0.28 -1.36 0.16 0.00 -0.52 0.00 0.00 37.83 35.84 3m4s s LYS 102 CO 0.34 -1.22 1.09 -2.14 -0.92 0.00 0.00 175.35 172.50 3m4s s PRO 103 N 0.97 0.78 0.57 -1.68 0.02 -1.26 -5.00 135.00 129.40 3m4s s PRO 103 Ca 0.19 0.82 -0.18 0.00 0.02 0.00 0.00 61.00 61.85 3m4s s PRO 103 Cb -0.21 -1.75 -0.05 0.00 0.02 0.00 0.00 34.50 32.51 3m4s s PRO 103 CO -0.00 -2.57 1.12 0.00 -0.33 0.00 0.00 177.00 175.22 3m4s s ALA 104 N -2.85 2.65 -0.02 -1.55 0.00 -0.64 -4.88 121.76 114.47 3m4s s ALA 104 Ca 0.65 0.75 -0.04 0.00 0.00 0.00 0.00 51.96 53.31 3m4s s ALA 104 Cb -0.19 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.58 3m4s s ALA 104 CO 0.58 -0.87 0.09 0.50 0.00 0.00 0.00 175.76 176.06 3m4s s ARG 105 N -3.48 0.27 0.04 0.00 3.52 -1.26 -0.77 118.95 117.27 3m4s s ARG 105 Ca 0.71 -0.16 0.08 0.00 -0.13 0.00 0.00 55.73 56.24 3m4s s ARG 105 Cb -0.23 0.11 -0.03 0.00 -1.56 0.00 0.00 34.95 33.25 3m4s s ARG 105 CO 0.30 -0.05 -0.24 0.00 -0.81 0.00 0.00 175.30 174.50 3m4s s ALA 106 N -0.66 2.06 -0.11 6.12 0.00 -0.78 -4.96 121.76 123.43 3m4s s ALA 106 Ca -0.07 -1.18 -0.08 0.00 0.00 0.00 0.00 51.96 50.62 3m4s s ALA 106 Cb -0.05 -0.43 0.04 0.00 0.00 0.00 0.00 23.12 22.68 3m4s s ALA 106 CO 0.00 0.48 0.29 0.00 0.00 0.00 0.00 175.76 176.53 3m4s s PHE 108 N 0.68 -0.35 -0.07 0.00 -0.12 -1.08 -5.02 117.98 112.03 3m4s s PHE 108 Ca -0.04 0.02 -0.17 0.00 -0.05 0.00 0.00 56.93 56.69 3m4s s PHE 108 Cb -0.06 0.64 -0.05 0.00 -0.63 0.00 0.00 43.02 42.92 3m4s s PHE 108 CO -0.04 -1.04 0.44 0.00 -0.05 0.00 0.00 175.22 174.53 3m4s s ALA 109 N -3.81 3.57 0.31 1.99 0.00 -1.26 -1.08 121.76 121.48 3m4s s ALA 109 Ca 0.06 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 51.81 3m4s s ALA 109 Cb -0.03 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.53 3m4s s ALA 109 CO -0.03 0.21 0.50 0.00 0.00 0.00 0.00 175.76 176.44 3m4s s ALA 110 N -0.11 3.74 0.34 0.00 0.00 0.53 -4.89 121.76 121.38 3m4s s ALA 110 Ca 0.24 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.32 3m4s s ALA 110 Cb -0.16 -2.06 0.61 0.00 0.00 0.00 0.00 23.12 21.52 3m4s s ALA 110 CO 0.11 0.10 1.92 0.00 0.00 0.00 0.00 175.76 177.89 3m4s h ALA 111 N 1.05 1.43 -1.48 0.00 0.00 -1.89 -3.43 119.26 114.93 3m4s h ALA 111 Ca -0.50 -0.15 0.19 0.00 0.00 0.00 0.00 54.91 54.46 3m4s h ALA 111 Cb 1.21 -0.18 -0.21 0.00 0.00 0.00 0.00 17.79 18.61 3m4s h ALA 111 CO 0.63 0.43 0.75 0.00 0.00 0.00 0.00 179.25 181.05 3m4s s ALA 112 N -5.23 -2.02 0.26 0.00 0.00 -1.26 -5.05 121.76 108.45 3m4s s ALA 112 Ca -0.09 1.61 0.12 0.00 0.00 0.00 0.00 51.96 53.60 3m4s s ALA 112 Cb 0.16 -0.53 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 3m4s s ALA 112 CO 0.77 -0.45 -0.20 -0.51 0.00 0.00 0.00 175.76 175.36 3m4s s LEU 113 N -1.67 2.56 0.25 0.00 1.43 -1.26 -5.05 118.68 114.93 3m4s s LEU 113 Ca 0.06 -1.00 -0.30 0.00 -1.03 0.00 0.00 54.13 51.86 3m4s s LEU 113 Cb -0.01 -1.08 -0.14 0.00 0.03 0.00 0.00 46.19 44.99 3m4s s LEU 113 CO -0.04 0.04 1.17 -2.65 0.23 0.00 0.00 176.35 175.09 3m4s n PRO 114 N -0.44 1.51 -1.71 1.29 -0.02 -1.26 -2.30 135.00 132.08 3m4s n PRO 114 Ca -0.07 0.54 -0.14 0.00 -2.02 0.00 0.00 63.50 61.81 3m4s n PRO 114 Cb 0.59 -2.02 -0.04 0.00 -0.02 0.00 0.00 33.50 32.01 3m4s n PRO 114 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3m4s n LYS 115 N 1.29 -1.03 -1.98 -0.52 5.02 -1.26 -1.29 118.16 118.39 3m4s n LYS 115 Ca 0.11 0.89 -0.18 0.00 -2.02 0.00 0.00 58.31 57.12 3m4s n LYS 115 Cb 0.30 -5.05 -0.04 0.00 -0.02 0.00 0.00 35.03 30.22 3m4s n LYS 115 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3m4s n GLY 116 N -1.17 0.54 3.75 0.72 0.00 -0.97 -4.98 105.19 103.09 3m4s n GLY 116 Ca -0.15 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 3m4s n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m4s s ALA 117 N -2.78 2.96 -0.63 4.61 0.00 -0.41 -4.91 121.76 120.60 3m4s s ALA 117 Ca 0.00 1.40 0.24 0.00 0.00 0.00 0.00 51.96 53.60 3m4s s ALA 117 Cb 0.00 -3.58 0.33 0.00 0.00 0.00 0.00 23.12 19.87 3m4s s ALA 117 CO 0.00 -1.34 1.31 -0.07 0.00 0.00 0.00 175.76 175.66 3m4s h LEU 118 N 1.73 0.00 -7.08 0.00 3.38 -1.93 -3.40 115.31 108.01 3m4s h LEU 118 Ca -0.51 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.19 3m4s h LEU 118 Cb 1.29 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.83 3m4s h LEU 118 CO 0.58 0.10 0.07 0.54 0.09 0.00 0.00 178.44 179.83 3m4s s VAL 119 N -3.17 0.00 -0.03 1.22 0.11 -1.26 -1.20 120.40 116.07 3m4s s VAL 119 Ca 0.06 -0.04 -0.02 0.00 -2.93 0.00 0.00 61.98 59.05 3m4s s VAL 119 Cb 0.13 -0.91 0.02 0.00 -1.53 0.00 0.00 36.38 34.09 3m4s s VAL 119 CO 0.72 -0.02 0.08 -0.70 -3.33 0.00 0.00 175.10 171.85 3m4s s GLU 120 N -0.31 0.05 -0.04 1.54 2.12 0.33 -4.29 118.70 118.10 3m4s s GLU 120 Ca -0.05 0.19 0.02 0.00 0.36 0.00 0.00 54.97 55.50 3m4s s GLU 120 Cb -0.03 -0.09 0.01 0.00 0.26 0.00 0.00 34.13 34.27 3m4s s GLU 120 CO 0.04 -0.09 -0.11 0.08 -0.54 0.00 0.00 175.26 174.64 3m4s s VAL 121 N 0.60 0.96 0.36 3.70 1.01 -0.84 0.13 120.40 126.32 3m4s s VAL 121 Ca -0.05 -0.42 0.09 0.00 0.00 0.00 0.00 61.98 61.60 3m4s s VAL 121 Cb -0.07 -0.87 -0.06 0.00 0.00 0.00 0.00 36.38 35.38 3m4s s VAL 121 CO -0.02 0.30 -0.00 -1.83 0.00 0.00 0.00 175.10 173.55 3m4s s GLU 122 N 0.41 1.99 0.22 2.72 -1.05 -0.47 0.27 118.70 122.80 3m4s s GLU 122 Ca -0.08 -1.89 -0.22 0.00 -0.15 0.00 0.00 54.97 52.63 3m4s s GLU 122 Cb -0.12 -1.81 0.04 0.00 -0.44 0.00 0.00 34.13 31.80 3m4s s GLU 122 CO 0.02 0.07 0.66 0.00 0.95 0.00 0.00 175.26 176.96 3m4s s ILE 124 N -3.84 3.39 0.21 0.00 1.01 0.63 -0.12 121.20 122.47 3m4s s ILE 124 Ca 0.07 -1.08 -0.09 0.00 0.00 0.00 0.00 60.65 59.55 3m4s s ILE 124 Cb -0.04 -2.53 -0.02 0.00 0.01 0.00 0.00 42.46 39.89 3m4s s ILE 124 CO -0.02 0.24 0.33 0.00 0.00 0.00 0.00 174.94 175.50 3m4s s ALA 125 N -1.10 0.20 0.20 9.38 0.00 0.16 -0.76 121.76 129.85 3m4s s ALA 125 Ca 0.19 -1.10 0.09 0.00 0.00 0.00 0.00 51.96 51.14 3m4s s ALA 125 Cb -0.11 1.10 -0.04 0.00 0.00 0.00 0.00 23.12 24.07 3m4s s ALA 125 CO 0.10 -0.73 -0.07 -0.08 0.00 0.00 0.00 175.76 174.98 3m4s s THR 126 N -4.04 3.26 -2.37 0.00 -1.32 -0.31 0.14 115.64 110.99 3m4s s THR 126 Ca 0.25 -1.71 0.29 0.00 -1.21 0.00 0.00 61.69 59.31 3m4s s THR 126 Cb 0.02 -2.65 0.64 0.00 -1.51 0.00 0.00 72.50 69.01 3m4s s THR 126 CO 0.07 -0.17 1.87 0.18 -2.21 0.00 0.00 174.62 174.36