#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mg2 s ASP 8 N 0.00 6.56 0.45 3.42 3.68 -1.26 -4.95 116.67 124.57 1mg2 s ASP 8 Ca 0.00 0.43 0.18 0.00 2.13 0.00 0.00 52.55 55.29 1mg2 s ASP 8 Cb 0.00 -2.38 1.06 0.00 -1.45 0.00 0.00 42.92 40.15 1mg2 s ASP 8 CO 0.00 -0.65 1.96 1.55 0.13 0.00 0.00 175.17 178.16 1mg2 h PRO 9 N 8.34 0.00 0.00 4.34 0.13 -2.05 -2.91 132.00 139.84 1mg2 h PRO 9 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1mg2 h PRO 9 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1mg2 h PRO 9 CO 0.88 0.22 -0.51 0.54 -0.23 0.00 0.00 178.00 178.90 1mg2 n ARG 10 N -4.00 0.11 -1.62 0.86 1.74 -1.26 -4.93 116.66 107.56 1mg2 n ARG 10 Ca -0.02 0.03 -0.34 0.00 -0.77 0.00 0.00 57.85 56.76 1mg2 n ARG 10 Cb 0.30 -1.57 0.07 0.00 -1.02 0.00 0.00 32.46 30.23 1mg2 n ARG 10 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mg2 s ALA 11 N -3.07 2.32 0.41 7.54 0.00 -1.10 -4.94 121.76 122.92 1mg2 s ALA 11 Ca 0.09 0.69 -0.25 0.00 0.00 0.00 0.00 51.96 52.49 1mg2 s ALA 11 Cb 0.16 -3.38 -0.10 0.00 0.00 0.00 0.00 23.12 19.79 1mg2 s ALA 11 CO 0.69 -1.53 1.20 1.17 0.00 0.00 0.00 175.76 177.30 1mg2 n LYS 12 N -2.53 1.78 -2.17 0.00 4.81 -1.26 -4.89 118.16 113.89 1mg2 n LYS 12 Ca 0.12 0.63 -0.42 0.00 -0.87 0.00 0.00 58.31 57.77 1mg2 n LYS 12 Cb 0.51 -2.27 -0.03 0.00 0.02 0.00 0.00 35.03 33.26 1mg2 n LYS 12 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 1mg2 s TRP 13 N -1.20 3.25 -0.35 5.64 -0.00 -1.26 -4.99 118.94 120.02 1mg2 s TRP 13 Ca 0.61 0.96 0.01 0.00 -0.00 0.00 0.00 56.10 57.68 1mg2 s TRP 13 Cb -0.53 -3.68 0.09 0.00 -0.00 0.00 0.00 33.47 29.35 1mg2 s TRP 13 CO 0.58 -2.37 0.07 0.08 -0.00 0.00 0.00 176.95 175.31 1mg2 s VAL 14 N 1.11 2.61 0.50 5.86 1.01 -1.26 -5.11 120.40 125.12 1mg2 s VAL 14 Ca 0.64 -2.10 -0.21 0.00 0.00 0.00 0.00 61.98 60.32 1mg2 s VAL 14 Cb -0.37 -2.80 -0.07 0.00 0.00 0.00 0.00 36.38 33.14 1mg2 s VAL 14 CO 0.30 -0.52 1.10 -2.16 0.00 0.00 0.00 175.10 173.83 1mg2 s PRO 15 N 1.02 3.62 0.14 2.72 0.04 -1.26 -4.89 135.00 136.39 1mg2 s PRO 15 Ca 0.07 1.55 0.04 0.00 0.04 0.00 0.00 61.00 62.70 1mg2 s PRO 15 Cb -0.20 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 1mg2 s PRO 15 CO -0.06 -0.62 -0.08 1.14 0.04 0.00 0.00 177.00 177.42 1mg2 s GLN 16 N -3.11 1.02 -0.33 4.56 1.03 -0.25 -4.84 119.66 117.75 1mg2 s GLN 16 Ca 0.68 -1.44 0.13 0.00 0.04 0.00 0.00 55.36 54.77 1mg2 s GLN 16 Cb -0.22 -0.49 0.46 0.00 0.03 0.00 0.00 33.01 32.79 1mg2 s GLN 16 CO 0.26 0.03 1.09 -3.47 -2.54 0.00 0.00 175.29 170.66 1mg2 n ASP 17 N -0.17 3.26 0.00 12.60 2.03 -1.26 -0.47 116.55 132.54 1mg2 n ASP 17 Ca -0.10 -3.09 0.00 0.00 0.52 0.00 0.00 54.79 52.12 1mg2 n ASP 17 Cb 0.61 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 1mg2 n ASP 17 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1mg2 n ASN 18 N -0.47 0.36 -3.15 1.67 0.23 -1.26 -5.03 115.26 107.60 1mg2 n ASN 18 Ca 0.26 -1.05 0.04 0.00 -0.53 0.00 0.00 54.58 53.30 1mg2 n ASN 18 Cb 0.81 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.51 1mg2 n ASN 18 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1mg2 s ASP 19 N -0.05 -1.38 0.00 0.53 -1.08 -1.26 -5.03 116.67 108.40 1mg2 s ASP 19 Ca 0.00 0.73 0.25 0.00 -0.52 0.00 0.00 52.55 53.01 1mg2 s ASP 19 Cb 0.00 2.10 1.20 0.00 -1.46 0.00 0.00 42.92 44.77 1mg2 s ASP 19 CO 0.00 -0.26 1.83 2.30 0.52 0.00 0.00 175.17 179.56 1mg2 n ILE 20 N 5.43 0.23 1.28 4.11 -5.35 -1.26 -3.04 119.36 120.76 1mg2 n ILE 20 Ca -0.00 0.06 0.13 0.00 -0.27 0.00 0.00 62.75 62.67 1mg2 n ILE 20 Cb 0.52 -0.64 0.34 0.00 -1.74 0.00 0.00 39.64 38.12 1mg2 n ILE 20 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1mg2 n GLN 21 N -1.35 1.87 -3.88 6.28 6.02 -1.26 -4.87 117.38 120.20 1mg2 n GLN 21 Ca 0.10 -1.32 -0.35 0.00 -0.01 0.00 0.00 57.00 55.42 1mg2 n GLN 21 Cb 0.23 -1.47 -0.05 0.00 1.02 0.00 0.00 30.24 29.96 1mg2 n GLN 21 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1mg2 s ALA 22 N -2.03 3.91 -0.40 -1.58 0.00 -1.17 -4.97 121.76 115.52 1mg2 s ALA 22 Ca 0.33 -0.68 0.19 0.00 0.00 0.00 0.00 51.96 51.80 1mg2 s ALA 22 Cb 0.20 -1.95 0.95 0.00 0.00 0.00 0.00 23.12 22.33 1mg2 s ALA 22 CO 0.34 0.67 1.57 0.00 0.00 0.00 0.00 175.76 178.34 1mg2 n ASP 24 N -2.12 4.23 -4.73 0.00 5.75 -1.26 -4.84 116.55 113.57 1mg2 n ASP 24 Ca -0.00 -2.30 -0.42 0.00 -0.01 0.00 0.00 54.79 52.06 1mg2 n ASP 24 Cb 0.07 -0.53 -0.03 0.00 -1.03 0.00 0.00 41.12 39.61 1mg2 n ASP 24 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1mg2 s TYR 25 N -1.62 3.03 0.37 2.11 5.04 -0.74 -1.09 117.35 124.46 1mg2 s TYR 25 Ca 0.47 0.87 0.14 0.00 -2.44 0.00 0.00 57.07 56.11 1mg2 s TYR 25 Cb 0.29 -3.86 0.99 0.00 0.35 0.00 0.00 41.96 39.72 1mg2 s TYR 25 CO 0.25 -2.97 1.79 0.11 -1.34 0.00 0.00 175.55 173.40 1mg2 h TRP 26 N 5.73 0.76 0.00 4.97 5.08 -1.10 -0.87 115.95 130.52 1mg2 h TRP 26 Ca -0.45 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.55 1mg2 h TRP 26 Cb 1.21 -0.23 0.00 0.00 -3.00 0.00 0.00 29.16 27.15 1mg2 h TRP 26 CO 0.62 0.13 0.00 0.54 -1.28 0.00 0.00 178.44 178.45 1mg2 n ARG 27 N -4.64 0.05 -0.71 0.12 1.74 -1.26 -2.94 116.66 109.01 1mg2 n ARG 27 Ca 0.23 0.13 0.05 0.00 -0.77 0.00 0.00 57.85 57.50 1mg2 n ARG 27 Cb 0.74 -1.50 0.32 0.00 -1.02 0.00 0.00 32.46 31.00 1mg2 n ARG 27 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1mg2 n HIS 28 N -1.47 1.65 0.24 -1.55 8.25 -0.33 -4.59 115.22 117.41 1mg2 n HIS 28 Ca 0.06 -0.57 0.13 0.00 -0.26 0.00 0.00 57.72 57.08 1mg2 n HIS 28 Cb 0.23 -0.43 0.68 0.00 1.12 0.00 0.00 29.99 31.60 1mg2 n HIS 28 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1mg2 n SER 30 N -2.50 0.79 -4.84 0.00 2.88 -1.26 -1.07 113.62 107.62 1mg2 n SER 30 Ca -0.02 -2.04 -0.33 0.00 -1.33 0.00 0.00 58.87 55.15 1mg2 n SER 30 Cb 0.22 -0.21 -0.06 0.00 -0.75 0.00 0.00 64.21 63.41 1mg2 n SER 30 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1mg2 s ILE 31 N -1.97 4.63 -0.15 2.46 2.07 -0.95 -4.81 121.20 122.49 1mg2 s ILE 31 Ca 0.24 1.06 -0.04 0.00 -1.41 0.00 0.00 60.65 60.50 1mg2 s ILE 31 Cb 0.33 -3.65 0.05 0.00 0.13 0.00 0.00 42.46 39.32 1mg2 s ILE 31 CO -0.08 -0.13 0.09 -0.62 -1.91 0.00 0.00 174.94 172.28 1mg2 s ASP 32 N -2.16 2.11 0.00 4.50 2.15 -1.26 -0.96 116.67 121.05 1mg2 s ASP 32 Ca 0.53 -0.48 0.00 0.00 0.43 0.00 0.00 52.55 53.03 1mg2 s ASP 32 Cb -0.11 -0.21 0.00 0.00 -0.30 0.00 0.00 42.92 42.30 1mg2 s ASP 32 CO 0.18 -0.33 0.00 0.61 -0.17 0.00 0.00 175.17 175.46 1mg2 n GLY 33 N 5.28 0.56 3.06 2.66 0.00 -0.44 -4.86 105.19 111.45 1mg2 n GLY 33 Ca -0.06 -0.83 -0.15 0.00 0.00 0.00 0.00 46.02 44.98 1mg2 n GLY 33 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mg2 s ASN 34 N -4.00 0.98 -0.27 1.61 0.01 -1.26 -0.87 114.94 111.14 1mg2 s ASN 34 Ca 0.00 -0.43 -0.29 0.00 -0.71 0.00 0.00 52.86 51.43 1mg2 s ASN 34 Cb 0.00 -0.02 0.01 0.00 0.41 0.00 0.00 41.25 41.65 1mg2 s ASN 34 CO 0.00 -0.09 1.17 -0.63 -1.51 0.00 0.00 177.10 176.04 1mg2 s ILE 35 N -0.99 4.38 0.36 0.60 1.01 -0.89 -0.34 121.20 125.34 1mg2 s ILE 35 Ca -0.05 1.61 0.12 0.00 0.00 0.00 0.00 60.65 62.33 1mg2 s ILE 35 Cb -0.08 -4.24 0.34 0.00 0.01 0.00 0.00 42.46 38.49 1mg2 s ILE 35 CO 0.01 -0.37 1.82 0.00 0.00 0.00 0.00 174.94 176.40 1mg2 h ASP 37 N 0.59 0.00 -0.16 0.00 3.58 -1.77 -0.03 116.42 118.63 1mg2 h ASP 37 Ca 0.52 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.97 1mg2 h ASP 37 Cb 1.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.08 1mg2 h ASP 37 CO -0.27 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.09 1mg2 n SER 39 N 0.62 0.85 0.00 0.00 3.41 -0.07 -4.87 113.62 113.56 1mg2 n SER 39 Ca 0.17 -2.35 0.00 0.00 -0.26 0.00 0.00 58.87 56.43 1mg2 n SER 39 Cb 0.42 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1mg2 n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mg2 n GLY 40 N -0.11 0.65 0.00 5.00 0.00 -1.22 -4.78 105.19 104.72 1mg2 n GLY 40 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1mg2 n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mg2 n GLY 41 N -1.19 1.63 1.57 -0.02 0.00 -0.92 -4.36 105.19 101.90 1mg2 n GLY 41 Ca 0.00 -1.81 -0.08 0.00 0.00 0.00 0.00 46.02 44.13 1mg2 n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1mg2 n SER 42 N 0.00 -0.52 -0.35 1.61 3.41 -0.55 -4.41 113.62 112.81 1mg2 n SER 42 Ca 0.00 -1.96 0.10 0.00 -0.26 0.00 0.00 58.87 56.76 1mg2 n SER 42 Cb 0.00 1.04 0.29 0.00 -0.26 0.00 0.00 64.21 65.29 1mg2 n SER 42 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1mg2 h LEU 43 N 0.00 0.83 -2.65 1.04 6.46 -1.94 -3.14 115.31 115.91 1mg2 h LEU 43 Ca -0.12 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 1mg2 h LEU 43 Cb 0.57 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.40 1mg2 h LEU 43 CO 0.17 0.38 -0.01 0.35 -0.62 0.00 0.00 178.44 178.71 1mg2 n THR 44 N -4.67 0.90 -4.29 1.05 -2.24 -1.26 -1.23 114.28 102.53 1mg2 n THR 44 Ca 0.21 -0.93 -0.21 0.00 -2.27 0.00 0.00 64.05 60.85 1mg2 n THR 44 Cb 0.47 0.51 -0.11 0.00 -2.10 0.00 0.00 70.33 69.10 1mg2 n THR 44 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1mg2 s ASN 45 N -1.01 2.44 0.38 3.42 0.02 -1.19 -4.88 114.94 114.12 1mg2 s ASN 45 Ca 0.03 -0.80 -0.16 0.00 -1.02 0.00 0.00 52.86 50.91 1mg2 s ASN 45 Cb 0.03 -0.13 -0.09 0.00 0.02 0.00 0.00 41.25 41.08 1mg2 s ASN 45 CO 0.00 -0.04 0.82 0.00 0.02 0.00 0.00 177.10 177.90 1mg2 s PRO 47 N -3.25 2.63 0.35 0.00 0.02 -1.26 -4.55 135.00 128.95 1mg2 s PRO 47 Ca 0.56 1.28 -0.28 0.00 0.02 0.00 0.00 61.00 62.59 1mg2 s PRO 47 Cb -0.10 -1.94 -0.12 0.00 0.02 0.00 0.00 34.50 32.37 1mg2 s PRO 47 CO 0.19 -1.37 1.39 -2.30 -0.33 0.00 0.00 177.00 174.58 1mg2 n PRO 48 N -2.83 2.36 0.00 5.54 -0.02 -1.26 -2.43 135.00 136.36 1mg2 n PRO 48 Ca 0.10 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 1mg2 n PRO 48 Cb 0.52 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 1mg2 n PRO 48 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mg2 n GLY 49 N 0.77 2.71 3.96 -1.23 0.00 -1.26 -5.03 105.19 105.10 1mg2 n GLY 49 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 1mg2 n GLY 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mg2 s THR 50 N -2.10 3.06 -0.11 2.61 -4.23 -1.02 -4.94 115.64 108.91 1mg2 s THR 50 Ca 0.00 -0.49 -0.01 0.00 -1.18 0.00 0.00 61.69 60.01 1mg2 s THR 50 Cb 0.00 -3.17 -0.02 0.00 1.34 0.00 0.00 72.50 70.64 1mg2 s THR 50 CO 0.00 -0.14 -0.09 -0.54 -0.54 0.00 0.00 174.62 173.31 1mg2 s LYS 51 N -4.80 3.23 -0.33 3.99 -0.14 0.13 -4.85 119.74 116.96 1mg2 s LYS 51 Ca 0.55 -0.61 -0.22 0.00 -1.36 0.00 0.00 55.97 54.33 1mg2 s LYS 51 Cb -0.10 -2.68 0.00 0.00 -1.68 0.00 0.00 37.83 33.37 1mg2 s LYS 51 CO 0.40 0.37 0.74 -1.17 -0.76 0.00 0.00 175.35 174.93 1mg2 s LEU 52 N -0.03 4.13 0.70 3.17 2.96 -1.26 0.67 118.68 129.02 1mg2 s LEU 52 Ca -0.01 0.45 -0.13 0.00 -0.22 0.00 0.00 54.13 54.21 1mg2 s LEU 52 Cb -0.14 -2.97 0.02 0.00 0.50 0.00 0.00 46.19 43.60 1mg2 s LEU 52 CO 0.03 -0.63 1.09 0.00 -1.32 0.00 0.00 176.35 175.53 1mg2 s ALA 53 N 2.91 2.43 -0.25 5.97 0.00 -0.69 -4.00 121.76 128.13 1mg2 s ALA 53 Ca 0.30 0.39 -0.01 0.00 0.00 0.00 0.00 51.96 52.64 1mg2 s ALA 53 Cb -0.14 -3.28 -0.15 0.00 0.00 0.00 0.00 23.12 19.55 1mg2 s ALA 53 CO 0.14 -1.41 -0.24 0.25 0.00 0.00 0.00 175.76 174.50 1mg2 n THR 54 N -2.85 1.41 -2.16 0.00 -2.24 -0.75 -4.74 114.28 102.95 1mg2 n THR 54 Ca 0.09 -0.51 -0.27 0.00 -2.27 0.00 0.00 64.05 61.10 1mg2 n THR 54 Cb 0.53 -1.46 0.06 0.00 -2.10 0.00 0.00 70.33 67.36 1mg2 n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mg2 s ALA 55 N -2.49 3.08 0.00 6.98 0.00 -1.09 -4.98 121.76 123.25 1mg2 s ALA 55 Ca -0.34 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 50.84 1mg2 s ALA 55 Cb 0.10 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.52 1mg2 s ALA 55 CO 0.55 -1.26 0.00 -1.13 0.00 0.00 0.00 175.76 173.92 1mg2 n SER 56 N -2.93 0.00 -3.37 0.00 3.41 -1.26 -4.56 113.62 104.90 1mg2 n SER 56 Ca 0.07 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.63 1mg2 n SER 56 Cb 0.60 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.55 1mg2 n SER 56 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1mg2 s VAL 58 N 2.17 0.00 -0.22 -3.33 -7.23 -0.67 -4.90 120.40 106.22 1mg2 s VAL 58 Ca 0.00 -0.80 -0.28 0.00 -1.81 0.00 0.00 61.98 59.09 1mg2 s VAL 58 Cb 0.00 -2.57 0.12 0.00 0.56 0.00 0.00 36.38 34.49 1mg2 s VAL 58 CO 0.00 0.00 0.99 0.00 -0.31 0.00 0.00 175.10 175.78 1mg2 s ALA 59 N -2.71 -1.94 -0.31 1.32 0.00 -1.01 -4.59 121.76 112.52 1mg2 s ALA 59 Ca 0.16 1.72 -0.23 0.00 0.00 0.00 0.00 51.96 53.62 1mg2 s ALA 59 Cb -0.04 -1.05 -0.00 0.00 0.00 0.00 0.00 23.12 22.04 1mg2 s ALA 59 CO 0.07 -0.28 0.75 0.45 0.00 0.00 0.00 175.76 176.75 1mg2 s SER 60 N -0.42 6.61 -0.12 0.00 0.15 -1.26 -0.82 113.70 117.83 1mg2 s SER 60 Ca 0.00 0.56 -0.01 0.00 0.70 0.00 0.00 55.95 57.20 1mg2 s SER 60 Cb -0.03 -2.39 -0.02 0.00 -1.71 0.00 0.00 66.02 61.87 1mg2 s SER 60 CO -0.02 -0.59 -0.08 0.00 1.20 0.00 0.00 173.24 173.75 1mg2 s TYR 62 N 0.03 3.56 -0.44 0.00 5.04 -1.26 -0.81 117.35 123.47 1mg2 s TYR 62 Ca -0.02 1.52 -0.16 0.00 -2.44 0.00 0.00 57.07 55.97 1mg2 s TYR 62 Cb -0.14 -3.07 0.04 0.00 0.35 0.00 0.00 41.96 39.15 1mg2 s TYR 62 CO 0.03 -0.09 0.38 1.21 -1.34 0.00 0.00 175.55 175.74 1mg2 s ASN 63 N 1.02 6.15 0.37 4.32 3.84 0.11 -4.85 114.94 125.90 1mg2 s ASN 63 Ca 0.46 -1.01 0.26 0.00 0.21 0.00 0.00 52.86 52.78 1mg2 s ASN 63 Cb -0.19 -2.19 1.31 0.00 -0.55 0.00 0.00 41.25 39.64 1mg2 s ASN 63 CO 0.21 -0.57 1.79 1.55 -2.79 0.00 0.00 177.10 177.28 1mg2 h PRO 64 N 8.72 0.00 -0.02 0.43 0.13 -1.88 0.68 132.00 140.05 1mg2 h PRO 64 Ca -0.27 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.81 1mg2 h PRO 64 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1mg2 h PRO 64 CO 0.81 0.00 -0.16 1.15 -0.23 0.00 0.00 178.00 179.57 1mg2 h THR 65 N 0.00 1.50 -0.15 1.56 2.02 -1.94 -3.37 112.91 112.53 1mg2 h THR 65 Ca 0.00 -1.70 0.00 0.00 0.77 0.00 0.00 66.41 65.48 1mg2 h THR 65 Cb 0.12 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 69.08 1mg2 h THR 65 CO 0.00 0.46 0.00 -0.90 0.37 0.00 0.00 175.52 175.45 1mg2 n ASP 66 N -4.60 2.26 -0.15 4.18 5.68 -1.15 -4.99 116.55 117.78 1mg2 n ASP 66 Ca -0.09 -1.71 -0.02 0.00 -0.50 0.00 0.00 54.79 52.47 1mg2 n ASP 66 Cb 0.42 -0.10 -0.01 0.00 -1.14 0.00 0.00 41.12 40.30 1mg2 n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mg2 n GLY 67 N 0.35 0.31 3.92 6.12 0.00 0.22 -4.98 105.19 111.13 1mg2 n GLY 67 Ca 0.07 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 1mg2 n GLY 67 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mg2 s GLN 68 N -1.73 3.34 -0.13 1.61 -1.52 -1.22 -4.86 119.66 115.14 1mg2 s GLN 68 Ca 0.00 -0.69 -0.03 0.00 -1.95 0.00 0.00 55.36 52.69 1mg2 s GLN 68 Cb 0.00 -2.89 -0.03 0.00 -0.22 0.00 0.00 33.01 29.87 1mg2 s GLN 68 CO 0.00 0.49 -0.03 -1.12 -0.25 0.00 0.00 175.29 174.38 1mg2 s SER 69 N -3.38 4.87 0.08 5.90 0.01 -1.26 -0.71 113.70 119.21 1mg2 s SER 69 Ca 0.34 -0.06 0.09 0.00 1.31 0.00 0.00 55.95 57.63 1mg2 s SER 69 Cb -0.10 -1.63 -0.03 0.00 0.21 0.00 0.00 66.02 64.46 1mg2 s SER 69 CO 0.28 0.24 -0.25 -0.31 0.41 0.00 0.00 173.24 173.60 1mg2 s TYR 70 N -0.05 2.16 -0.25 2.43 1.51 0.01 0.06 117.35 123.22 1mg2 s TYR 70 Ca 0.02 -0.40 -0.24 0.00 -1.01 0.00 0.00 57.07 55.44 1mg2 s TYR 70 Cb -0.13 -1.23 -0.00 0.00 -0.11 0.00 0.00 41.96 40.48 1mg2 s TYR 70 CO 0.02 0.21 0.82 -1.17 -1.11 0.00 0.00 175.55 174.33 1mg2 s LEU 71 N -1.61 4.08 -0.19 -1.29 2.96 0.11 -0.22 118.68 122.52 1mg2 s LEU 71 Ca 0.11 0.98 -0.09 0.00 -0.22 0.00 0.00 54.13 54.91 1mg2 s LEU 71 Cb -0.10 -3.17 -0.05 0.00 0.50 0.00 0.00 46.19 43.37 1mg2 s LEU 71 CO 0.04 -0.53 0.12 -0.63 -1.32 0.00 0.00 176.35 174.03 1mg2 s ILE 72 N 2.87 5.33 -0.52 6.68 -1.09 -0.00 -1.13 121.20 133.33 1mg2 s ILE 72 Ca 0.34 0.16 -0.14 0.00 -2.23 0.00 0.00 60.65 58.78 1mg2 s ILE 72 Cb -0.15 -3.41 0.12 0.00 -1.58 0.00 0.00 42.46 37.44 1mg2 s ILE 72 CO 0.08 0.46 0.45 0.00 -1.23 0.00 0.00 174.94 174.71 1mg2 s ALA 73 N 0.20 3.57 -1.24 9.38 0.00 -0.66 -2.41 121.76 130.59 1mg2 s ALA 73 Ca 0.08 -2.52 -0.18 0.00 0.00 0.00 0.00 51.96 49.34 1mg2 s ALA 73 Cb -0.11 -3.13 -0.00 0.00 0.00 0.00 0.00 23.12 19.87 1mg2 s ALA 73 CO -0.01 -1.97 1.94 0.66 0.00 0.00 0.00 175.76 176.38 1mg2 n TYR 74 N 5.15 3.57 -2.86 0.00 4.01 -1.26 -4.10 117.16 121.66 1mg2 n TYR 74 Ca -0.12 -2.46 -0.33 0.00 -0.16 0.00 0.00 57.90 54.82 1mg2 n TYR 74 Cb 0.40 -2.47 -0.07 0.00 -0.31 0.00 0.00 39.34 36.89 1mg2 n TYR 74 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1mg2 s ARG 75 N 4.49 4.24 0.12 -0.72 0.52 -1.25 -4.71 118.95 121.64 1mg2 s ARG 75 Ca 0.55 1.08 0.04 0.00 -0.52 0.00 0.00 55.73 56.88 1mg2 s ARG 75 Cb 0.07 -2.30 -0.04 0.00 0.52 0.00 0.00 34.95 33.21 1mg2 s ARG 75 CO 0.05 0.04 0.13 -0.51 0.02 0.00 0.00 175.30 175.03 1mg2 s ASP 76 N -2.12 5.66 -0.22 0.23 1.01 -1.06 -1.74 116.67 118.43 1mg2 s ASP 76 Ca 0.59 -0.03 -0.09 0.00 0.71 0.00 0.00 52.55 53.73 1mg2 s ASP 76 Cb -0.10 -1.54 -0.04 0.00 1.01 0.00 0.00 42.92 42.25 1mg2 s ASP 76 CO 0.15 0.11 0.11 0.00 0.21 0.00 0.00 175.17 175.75 1mg2 n GLY 79 N -1.01 0.74 3.06 0.00 0.00 -0.89 0.21 105.19 107.29 1mg2 n GLY 79 Ca -0.10 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 1mg2 n GLY 79 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mg2 s TYR 80 N -2.00 0.51 0.63 1.61 1.51 -1.26 -4.96 117.35 113.38 1mg2 s TYR 80 Ca 0.00 -0.74 -0.16 0.00 -1.01 0.00 0.00 57.07 55.17 1mg2 s TYR 80 Cb 0.00 -0.34 -0.02 0.00 -0.11 0.00 0.00 41.96 41.49 1mg2 s TYR 80 CO 0.00 -0.22 1.09 1.21 -1.11 0.00 0.00 175.55 176.52 1mg2 s ASN 81 N -2.14 5.40 0.10 2.29 2.47 -1.26 -3.62 114.94 118.17 1mg2 s ASN 81 Ca -0.04 1.95 -0.35 0.00 0.42 0.00 0.00 52.86 54.84 1mg2 s ASN 81 Cb -0.02 -2.55 -0.17 0.00 -1.45 0.00 0.00 41.25 37.05 1mg2 s ASN 81 CO -0.04 -1.43 1.08 0.52 -3.72 0.00 0.00 177.10 173.51 1mg2 n VAL 82 N -2.19 0.57 -0.33 -5.21 0.31 -0.99 -4.57 118.33 105.92 1mg2 n VAL 82 Ca 0.10 -0.14 0.01 0.00 -0.01 0.00 0.00 64.34 64.29 1mg2 n VAL 82 Cb 0.52 -0.45 0.18 0.00 -0.91 0.00 0.00 33.84 33.18 1mg2 n VAL 82 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1mg2 h SER 83 N 3.17 1.03 0.00 4.52 4.64 -1.70 -3.46 113.55 121.74 1mg2 h SER 83 Ca -0.45 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1mg2 h SER 83 Cb 1.38 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1mg2 h SER 83 CO 0.68 0.71 0.00 0.61 -0.87 0.00 0.00 176.83 177.96 1mg2 n GLY 84 N -1.39 0.84 3.54 -0.77 0.00 -1.26 -5.02 105.19 101.13 1mg2 n GLY 84 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1mg2 n GLY 84 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mg2 s ARG 85 N -0.10 2.71 -1.05 1.61 0.52 -1.26 -4.76 118.95 116.62 1mg2 s ARG 85 Ca 0.00 -0.60 -0.14 0.00 -0.52 0.00 0.00 55.73 54.47 1mg2 s ARG 85 Cb 0.00 -2.53 -0.02 0.00 0.52 0.00 0.00 34.95 32.92 1mg2 s ARG 85 CO 0.00 0.63 0.79 0.00 0.02 0.00 0.00 175.30 176.74 1mg2 s PRO 87 N -5.28 4.42 -0.01 0.00 0.04 -1.26 -2.09 135.00 130.83 1mg2 s PRO 87 Ca 0.39 1.61 -0.14 0.00 0.04 0.00 0.00 61.00 62.89 1mg2 s PRO 87 Cb -0.12 -2.86 0.02 0.00 0.04 0.00 0.00 34.50 31.58 1mg2 s PRO 87 CO 0.83 0.07 0.29 0.00 0.04 0.00 0.00 177.00 178.23 1mg2 s LEU 89 N -1.38 -0.52 0.16 0.00 2.96 -1.25 -1.33 118.68 117.32 1mg2 s LEU 89 Ca -0.13 -0.16 0.09 0.00 -0.22 0.00 0.00 54.13 53.71 1mg2 s LEU 89 Cb -0.05 0.89 -0.04 0.00 0.50 0.00 0.00 46.19 47.49 1mg2 s LEU 89 CO 0.04 -0.33 -0.19 0.20 -1.32 0.00 0.00 176.35 174.75 1mg2 s ASN 90 N 2.48 2.69 -0.28 3.68 0.01 -0.13 -5.00 114.94 118.39 1mg2 s ASN 90 Ca 0.11 -0.84 0.21 0.00 -0.71 0.00 0.00 52.86 51.63 1mg2 s ASN 90 Cb -0.15 -0.16 0.50 0.00 0.41 0.00 0.00 41.25 41.85 1mg2 s ASN 90 CO -0.22 -0.02 1.07 0.35 -1.51 0.00 0.00 177.10 176.77 1mg2 n THR 91 N 0.37 1.21 -1.85 1.60 -2.24 -1.20 -3.65 114.28 108.53 1mg2 n THR 91 Ca -0.14 -2.98 -0.43 0.00 -2.27 0.00 0.00 64.05 58.24 1mg2 n THR 91 Cb 0.57 1.10 -0.03 0.00 -2.10 0.00 0.00 70.33 69.87 1mg2 n THR 91 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1mg2 s GLU 92 N -3.62 3.40 0.00 -0.78 0.41 -0.24 -1.72 118.70 116.15 1mg2 s GLU 92 Ca 0.27 1.78 0.00 0.00 -0.41 0.00 0.00 54.97 56.61 1mg2 s GLU 92 Cb 0.36 -4.23 0.00 0.00 -1.78 0.00 0.00 34.13 28.48 1mg2 s GLU 92 CO -0.02 -1.79 0.00 0.41 -0.49 0.00 0.00 175.26 173.38 1mg2 n GLY 93 N 5.36 0.47 3.71 -1.39 0.00 -1.26 -4.70 105.19 107.37 1mg2 n GLY 93 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1mg2 n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1mg2 s GLU 94 N -0.49 4.26 0.25 1.61 -6.30 -0.70 -4.98 118.70 112.36 1mg2 s GLU 94 Ca 0.00 2.19 0.09 0.00 -2.50 0.00 0.00 54.97 54.75 1mg2 s GLU 94 Cb 0.00 -3.33 -0.04 0.00 0.00 0.00 0.00 34.13 30.76 1mg2 s GLU 94 CO 0.00 -0.56 0.07 -0.51 0.02 0.00 0.00 175.26 174.28 1mg2 s LEU 95 N 1.57 3.42 1.11 2.70 1.02 -0.87 -5.01 118.68 122.63 1mg2 s LEU 95 Ca 0.68 -0.49 -0.14 0.00 0.02 0.00 0.00 54.13 54.20 1mg2 s LEU 95 Cb -0.39 -1.95 0.20 0.00 0.02 0.00 0.00 46.19 44.07 1mg2 s LEU 95 CO 0.30 -0.01 0.69 -2.65 0.02 0.00 0.00 176.35 174.70 1mg2 n PRO 96 N -0.94 -1.81 0.24 1.29 -0.02 -1.26 -3.81 135.00 128.68 1mg2 n PRO 96 Ca -0.07 -0.50 0.16 0.00 -2.02 0.00 0.00 63.50 61.07 1mg2 n PRO 96 Cb 0.58 -2.03 0.84 0.00 -0.02 0.00 0.00 33.50 32.87 1mg2 n PRO 96 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1mg2 h VAL 97 N -2.33 0.54 0.00 -1.45 3.04 -1.97 -1.37 116.25 112.71 1mg2 h VAL 97 Ca -0.56 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.13 1mg2 h VAL 97 Cb 1.33 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 31.51 1mg2 h VAL 97 CO 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 177.00 1mg2 n TYR 98 N -3.89 0.00 -3.00 3.17 0.18 -1.26 -2.24 117.16 110.11 1mg2 n TYR 98 Ca -0.00 0.00 -0.21 0.00 1.88 0.00 0.00 57.90 59.57 1mg2 n TYR 98 Cb 0.23 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.17 1mg2 n TYR 98 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1mg2 n ARG 99 N -0.93 1.96 -0.38 -3.48 5.12 -0.52 -4.98 116.66 113.45 1mg2 n ARG 99 Ca 0.13 -3.97 0.31 0.00 -1.93 0.00 0.00 57.85 52.39 1mg2 n ARG 99 Cb 0.06 -1.89 0.57 0.00 -1.16 0.00 0.00 32.46 30.05 1mg2 n ARG 99 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1mg2 h PRO 100 N 2.96 0.17 -0.23 5.56 0.13 -1.59 -1.05 132.00 137.95 1mg2 h PRO 100 Ca 0.11 -0.01 0.07 0.00 -0.87 0.00 0.00 66.00 65.29 1mg2 h PRO 100 Cb 0.82 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 1mg2 h PRO 100 CO 0.64 0.11 0.40 1.05 -0.23 0.00 0.00 178.00 179.97 1mg2 h GLU 101 N 0.18 0.00 0.00 0.86 9.09 -1.91 -0.98 114.58 121.81 1mg2 h GLU 101 Ca 0.77 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.18 1mg2 h GLU 101 Cb 2.14 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.24 1mg2 h GLU 101 CO -0.51 0.00 -0.00 1.19 0.05 0.00 0.00 179.01 179.74 1mg2 n PHE 102 N -3.36 0.00 -3.33 2.06 3.72 -0.41 -1.67 117.46 114.47 1mg2 n PHE 102 Ca 0.03 -0.49 -0.38 0.00 -0.05 0.00 0.00 57.45 56.56 1mg2 n PHE 102 Cb 0.52 -0.05 -0.06 0.00 -0.94 0.00 0.00 39.48 38.94 1mg2 n PHE 102 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1mg2 s ALA 103 N -1.05 3.50 -0.57 4.37 0.00 -0.38 -2.06 121.76 125.58 1mg2 s ALA 103 Ca 0.02 -0.26 0.15 0.00 0.00 0.00 0.00 51.96 51.87 1mg2 s ALA 103 Cb 0.02 -2.64 0.48 0.00 0.00 0.00 0.00 23.12 20.97 1mg2 s ALA 103 CO 0.00 -0.07 1.39 0.27 0.00 0.00 0.00 175.76 177.36 1mg2 n ASN 104 N 3.86 3.68 0.02 0.00 2.04 -1.26 -4.27 115.26 119.33 1mg2 n ASN 104 Ca -0.07 -2.57 0.12 0.00 -0.44 0.00 0.00 54.58 51.62 1mg2 n ASN 104 Cb 0.51 -0.43 0.15 0.00 -2.53 0.00 0.00 39.78 37.48 1mg2 n ASN 104 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 1mg2 n ASP 105 N 0.10 0.61 -4.75 0.53 8.00 -1.26 -4.70 116.55 115.08 1mg2 n ASP 105 Ca 0.18 -0.21 -0.40 0.00 0.71 0.00 0.00 54.79 55.07 1mg2 n ASP 105 Cb 0.73 0.43 -0.05 0.00 -0.02 0.00 0.00 41.12 42.21 1mg2 n ASP 105 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1mg2 s ILE 106 N -3.09 3.78 -0.70 0.53 1.01 -1.26 -4.97 121.20 116.49 1mg2 s ILE 106 Ca 0.08 1.68 -0.27 0.00 0.00 0.00 0.00 60.65 62.14 1mg2 s ILE 106 Cb 0.16 -4.07 0.03 0.00 0.01 0.00 0.00 42.46 38.59 1mg2 s ILE 106 CO 0.74 0.36 1.24 -0.63 0.00 0.00 0.00 174.94 176.65 1mg2 s ILE 107 N -0.80 3.82 -1.43 2.92 -1.09 -1.26 -4.92 121.20 118.45 1mg2 s ILE 107 Ca 0.46 0.45 -0.14 0.00 -2.23 0.00 0.00 60.65 59.19 1mg2 s ILE 107 Cb -0.30 -4.87 0.06 0.00 -1.58 0.00 0.00 42.46 35.78 1mg2 s ILE 107 CO 0.37 -1.73 2.15 0.79 -1.23 0.00 0.00 174.94 175.29 1mg2 n TRP 108 N 9.08 3.52 0.44 3.97 7.02 -1.26 -4.48 117.44 135.72 1mg2 n TRP 108 Ca 0.04 -2.95 0.05 0.00 -1.02 0.00 0.00 57.50 53.62 1mg2 n TRP 108 Cb 0.49 -2.48 0.02 0.00 -2.42 0.00 0.00 31.31 26.92 1mg2 n TRP 108 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1mg2 n PHE 110 N 0.18 2.27 -0.16 0.00 3.72 -1.26 -2.09 117.46 120.11 1mg2 n PHE 110 Ca 0.05 0.48 0.00 0.00 -0.05 0.00 0.00 57.45 57.93 1mg2 n PHE 110 Cb 0.23 -2.45 0.00 0.00 -0.94 0.00 0.00 39.48 36.33 1mg2 n PHE 110 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1mg2 n GLY 111 N 1.45 1.28 3.77 1.37 0.00 -1.26 -1.80 105.19 110.00 1mg2 n GLY 111 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1mg2 n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mg2 s ALA 112 N -2.67 2.64 0.63 4.61 0.00 -0.89 -4.22 121.76 121.85 1mg2 s ALA 112 Ca 0.00 0.83 -0.18 0.00 0.00 0.00 0.00 51.96 52.61 1mg2 s ALA 112 Cb 0.00 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 1mg2 s ALA 112 CO 0.00 -0.91 1.29 -1.21 0.00 0.00 0.00 175.76 174.93 1mg2 s GLU 113 N -3.39 2.67 -1.33 0.00 8.01 -1.26 -2.45 118.70 120.96 1mg2 s GLU 113 Ca 0.73 2.04 0.00 0.00 0.01 0.00 0.00 54.97 57.75 1mg2 s GLU 113 Cb -0.25 -1.90 0.00 0.00 -4.31 0.00 0.00 34.13 27.68 1mg2 s GLU 113 CO 0.30 -1.50 0.00 -0.25 0.01 0.00 0.00 175.26 173.82 1mg2 n ASP 114 N -1.77 -5.48 -2.57 -0.19 10.43 -1.26 -2.47 116.55 113.24 1mg2 n ASP 114 Ca 0.15 0.31 -0.19 0.00 2.57 0.00 0.00 54.79 57.63 1mg2 n ASP 114 Cb 0.48 -4.08 -0.00 0.00 1.84 0.00 0.00 41.12 39.36 1mg2 n ASP 114 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1mg2 n ASP 115 N -1.05 -5.39 -4.72 -2.24 8.00 -1.03 -4.91 116.55 105.22 1mg2 n ASP 115 Ca -0.13 -0.04 -0.42 0.00 0.71 0.00 0.00 54.79 54.92 1mg2 n ASP 115 Cb 0.57 -4.48 -0.03 0.00 -0.02 0.00 0.00 41.12 37.17 1mg2 n ASP 115 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mg2 s ALA 116 N -2.97 3.84 0.00 2.24 0.00 -1.03 -4.88 121.76 118.96 1mg2 s ALA 116 Ca 0.08 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.49 1mg2 s ALA 116 Cb -0.04 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1mg2 s ALA 116 CO 0.09 -0.86 0.42 -1.33 0.00 0.00 0.00 175.76 174.09 1mg2 n MET 117 N 4.07 -0.39 -2.95 0.00 2.81 -1.26 -4.63 117.12 114.77 1mg2 n MET 117 Ca 0.15 -0.46 -0.37 0.00 -1.81 0.00 0.00 57.70 55.20 1mg2 n MET 117 Cb 0.37 -0.86 -0.06 0.00 -0.71 0.00 0.00 33.22 31.96 1mg2 n MET 117 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1mg2 s THR 118 N -0.08 4.37 -0.12 2.03 -4.23 -1.26 -4.86 115.64 111.49 1mg2 s THR 118 Ca 0.00 1.61 -0.23 0.00 -1.18 0.00 0.00 61.69 61.89 1mg2 s THR 118 Cb 0.00 -4.01 -0.03 0.00 1.34 0.00 0.00 72.50 69.80 1mg2 s THR 118 CO 0.00 0.29 0.72 -0.47 -0.54 0.00 0.00 174.62 174.62 1mg2 s TYR 119 N -1.43 3.49 -0.05 3.99 5.04 -1.26 -2.09 117.35 125.04 1mg2 s TYR 119 Ca 0.43 1.18 -0.06 0.00 -2.44 0.00 0.00 57.07 56.19 1mg2 s TYR 119 Cb -0.20 -2.86 -0.03 0.00 0.35 0.00 0.00 41.96 39.22 1mg2 s TYR 119 CO 0.24 -0.05 -0.13 1.58 -1.34 0.00 0.00 175.55 175.85 1mg2 n HIS 120 N 4.42 0.00 -3.81 4.97 -0.00 -0.79 -2.34 115.22 117.67 1mg2 n HIS 120 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.67 1mg2 n HIS 120 Cb 0.50 -0.28 -0.00 0.00 -0.00 0.00 0.00 29.99 30.21 1mg2 n HIS 120 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1mg2 s THR 122 N -3.11 1.89 0.27 0.00 2.01 0.54 -0.99 115.64 116.25 1mg2 s THR 122 Ca 0.14 -1.06 0.06 0.00 0.31 0.00 0.00 61.69 61.14 1mg2 s THR 122 Cb -0.03 -1.58 -0.03 0.00 0.01 0.00 0.00 72.50 70.87 1mg2 s THR 122 CO 0.05 0.50 0.33 0.27 -0.69 0.00 0.00 174.62 175.09 1mg2 s ILE 123 N -0.59 4.65 -0.54 1.82 -4.36 -0.71 -2.58 121.20 118.89 1mg2 s ILE 123 Ca 0.09 -1.13 0.07 0.00 -0.26 0.00 0.00 60.65 59.42 1mg2 s ILE 123 Cb -0.09 -3.59 0.32 0.00 1.25 0.00 0.00 42.46 40.35 1mg2 s ILE 123 CO -0.01 -0.29 0.84 -1.20 0.24 0.00 0.00 174.94 174.53 1mg2 n SER 124 N -1.39 3.38 -4.84 4.36 7.64 -0.37 -3.90 113.62 118.51 1mg2 n SER 124 Ca -0.06 -3.45 -0.32 0.00 1.01 0.00 0.00 58.87 56.05 1mg2 n SER 124 Cb 0.58 -0.60 -0.05 0.00 -1.01 0.00 0.00 64.21 63.13 1mg2 n SER 124 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1mg2 s PRO 125 N -2.93 4.04 -0.04 1.43 0.04 -1.26 -4.82 135.00 131.47 1mg2 s PRO 125 Ca 0.45 0.91 -0.20 0.00 0.04 0.00 0.00 61.00 62.20 1mg2 s PRO 125 Cb 0.26 -2.24 -0.05 0.00 0.04 0.00 0.00 34.50 32.51 1mg2 s PRO 125 CO -0.10 -0.08 0.55 0.42 0.04 0.00 0.00 177.00 177.84 1mg2 s ILE 126 N -2.31 5.01 -0.52 0.56 1.01 -1.26 -1.66 121.20 122.02 1mg2 s ILE 126 Ca 0.58 1.15 0.04 0.00 0.00 0.00 0.00 60.65 62.42 1mg2 s ILE 126 Cb -0.10 -3.89 0.04 0.00 0.01 0.00 0.00 42.46 38.52 1mg2 s ILE 126 CO 0.22 0.39 0.67 1.33 0.00 0.00 0.00 174.94 177.55 1mg2 n VAL 127 N 2.98 0.07 0.00 2.92 0.24 -0.29 -4.92 118.33 119.33 1mg2 n VAL 127 Ca -0.07 -0.54 0.00 0.00 -2.04 0.00 0.00 64.34 61.69 1mg2 n VAL 127 Cb 0.51 1.05 0.00 0.00 -1.47 0.00 0.00 33.84 33.93 1mg2 n VAL 127 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1mg2 n GLY 128 N 0.22 1.06 3.86 7.63 0.00 -1.24 -4.98 105.19 111.73 1mg2 n GLY 128 Ca 0.03 -1.16 -0.31 0.00 0.00 0.00 0.00 46.02 44.57 1mg2 n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mg2 s LYS 129 N -2.00 3.89 0.00 1.61 1.02 -1.26 0.09 119.74 123.10 1mg2 s LYS 129 Ca 0.00 0.63 0.00 0.00 0.02 0.00 0.00 55.97 56.62 1mg2 s LYS 129 Cb 0.00 -2.36 0.00 0.00 -0.52 0.00 0.00 37.83 34.95 1mg2 s LYS 129 CO 0.00 -0.01 0.00 0.00 -0.92 0.00 0.00 175.35 174.42 1mg2 n ALA 130 N -1.02 0.00 1.57 5.17 0.00 0.11 -4.51 120.51 121.83 1mg2 n ALA 130 Ca 0.04 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.62 1mg2 n ALA 130 Cb 0.54 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.57 1mg2 n ALA 130 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93