#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 0.43 3.42 3.68 -1.26 -4.95 116.67 124.55 1mg2 s ASP 8 Ca 0.00 0.46 0.17 0.00 2.13 0.00 0.00 52.55 55.31 1mg2 s ASP 8 Cb 0.00 -2.38 0.97 0.00 -1.45 0.00 0.00 42.92 40.07 1mg2 s ASP 8 CO 0.00 -0.61 1.93 1.55 0.13 0.00 0.00 175.17 178.17 1mg2 h PRO 9 N 8.27 0.00 0.00 4.34 0.13 -2.05 -2.94 132.00 139.75 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 0.87 0.26 -0.45 0.54 -0.23 0.00 0.00 178.00 178.98 1mg2 n ARG 10 N -4.03 0.05 -1.70 0.86 1.74 -1.26 -4.93 116.66 107.40 1mg2 n ARG 10 Ca -0.02 0.01 -0.34 0.00 -0.77 0.00 0.00 57.85 56.74 1mg2 n ARG 10 Cb 0.32 -1.53 0.06 0.00 -1.02 0.00 0.00 32.46 30.29 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 -3.03 2.37 0.42 7.54 0.00 -1.11 -4.94 121.76 123.02 1mg2 s ALA 11 Ca 0.11 0.69 -0.25 0.00 0.00 0.00 0.00 51.96 52.51 1mg2 s ALA 11 Cb 0.17 -3.37 -0.10 0.00 0.00 0.00 0.00 23.12 19.82 1mg2 s ALA 11 CO 0.68 -1.43 1.14 1.17 0.00 0.00 0.00 175.76 177.32 1mg2 n LYS 12 N -2.40 1.62 -2.23 0.00 4.81 -1.26 -4.89 118.16 113.81 1mg2 n LYS 12 Ca 0.12 0.58 -0.42 0.00 -0.87 0.00 0.00 58.31 57.71 1mg2 n LYS 12 Cb 0.51 -2.21 -0.03 0.00 0.02 0.00 0.00 35.03 33.32 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 -1.24 3.28 -0.35 5.64 -0.00 -1.26 -5.00 118.94 120.01 1mg2 s TRP 13 Ca 0.63 1.03 0.01 0.00 -0.00 0.00 0.00 56.10 57.77 1mg2 s TRP 13 Cb -0.53 -3.62 0.10 0.00 -0.00 0.00 0.00 33.47 29.41 1mg2 s TRP 13 CO 0.57 -2.14 0.08 0.08 -0.00 0.00 0.00 176.95 175.55 1mg2 s VAL 14 N 1.11 2.66 0.49 5.86 1.01 -1.26 -5.11 120.40 125.17 1mg2 s VAL 14 Ca 0.63 -2.12 -0.21 0.00 0.00 0.00 0.00 61.98 60.29 1mg2 s VAL 14 Cb -0.35 -2.85 -0.07 0.00 0.00 0.00 0.00 36.38 33.11 1mg2 s VAL 14 CO 0.30 -0.54 1.11 -2.16 0.00 0.00 0.00 175.10 173.81 1mg2 s PRO 15 N 1.03 3.64 0.14 2.72 0.04 -1.26 -4.88 135.00 136.43 1mg2 s PRO 15 Ca 0.07 1.60 0.04 0.00 0.04 0.00 0.00 61.00 62.75 1mg2 s PRO 15 Cb -0.20 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 1mg2 s PRO 15 CO -0.06 -0.61 -0.09 1.14 0.04 0.00 0.00 177.00 177.43 1mg2 s GLN 16 N -3.02 1.04 -0.33 4.56 1.03 -0.20 -4.84 119.66 117.90 1mg2 s GLN 16 Ca 0.67 -1.44 0.12 0.00 0.04 0.00 0.00 55.36 54.75 1mg2 s GLN 16 Cb -0.23 -0.55 0.46 0.00 0.03 0.00 0.00 33.01 32.71 1mg2 s GLN 16 CO 0.28 0.05 1.10 -3.47 -2.54 0.00 0.00 175.29 170.71 1mg2 n ASP 17 N -0.18 3.38 0.00 12.60 2.03 -1.26 -0.47 116.55 132.65 1mg2 n ASP 17 Ca -0.10 -3.13 0.00 0.00 0.52 0.00 0.00 54.79 52.08 1mg2 n ASP 17 Cb 0.61 -0.44 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 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 -0.49 0.32 -3.16 1.67 0.23 -1.26 -5.03 115.26 107.53 1mg2 n ASN 18 Ca 0.27 -0.99 0.03 0.00 -0.53 0.00 0.00 54.58 53.37 1mg2 n ASN 18 Cb 0.82 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 -0.00 -1.33 0.00 0.53 -1.08 -1.26 -5.03 116.67 108.49 1mg2 s ASP 19 Ca 0.00 0.74 0.25 0.00 -0.52 0.00 0.00 52.55 53.02 1mg2 s ASP 19 Cb 0.00 2.09 1.20 0.00 -1.46 0.00 0.00 42.92 44.75 1mg2 s ASP 19 CO 0.00 -0.27 1.84 2.30 0.52 0.00 0.00 175.17 179.56 1mg2 n ILE 20 N 5.42 0.22 1.30 4.11 -5.35 -1.26 -3.01 119.36 120.81 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 0.51 -0.63 0.36 0.00 -1.74 0.00 0.00 39.64 38.14 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 -1.38 1.82 -3.85 6.28 6.02 -1.26 -4.86 117.38 120.15 1mg2 n GLN 21 Ca 0.10 -1.25 -0.36 0.00 -0.01 0.00 0.00 57.00 55.48 1mg2 n GLN 21 Cb 0.24 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 29.97 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 -2.05 3.89 -0.10 -1.58 0.00 -1.16 -4.97 121.76 115.79 1mg2 s ALA 22 Ca 0.33 -0.64 0.26 0.00 0.00 0.00 0.00 51.96 51.91 1mg2 s ALA 22 Cb 0.20 -1.98 1.34 0.00 0.00 0.00 0.00 23.12 22.68 1mg2 s ALA 22 CO 0.34 0.66 1.79 0.00 0.00 0.00 0.00 175.76 178.55 1mg2 n ASP 24 N -2.41 3.69 -4.73 0.00 5.75 -1.26 -4.83 116.55 112.76 1mg2 n ASP 24 Ca -0.01 -2.21 -0.42 0.00 -0.01 0.00 0.00 54.79 52.14 1mg2 n ASP 24 Cb 0.08 -0.47 -0.03 0.00 -1.03 0.00 0.00 41.12 39.67 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 -1.54 3.01 0.39 2.11 5.04 -0.74 -1.03 117.35 124.59 1mg2 s TYR 25 Ca 0.42 0.79 0.17 0.00 -2.44 0.00 0.00 57.07 56.01 1mg2 s TYR 25 Cb 0.25 -3.90 1.06 0.00 0.35 0.00 0.00 41.96 39.71 1mg2 s TYR 25 CO 0.23 -3.16 1.80 0.11 -1.34 0.00 0.00 175.55 173.19 1mg2 h TRP 26 N 5.91 0.67 0.00 4.97 5.08 -1.10 -0.71 115.95 130.76 1mg2 h TRP 26 Ca -0.44 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.55 1mg2 h TRP 26 Cb 1.21 -0.20 0.00 0.00 -3.00 0.00 0.00 29.16 27.17 1mg2 h TRP 26 CO 0.62 0.11 0.00 0.54 -1.28 0.00 0.00 178.44 178.43 1mg2 n ARG 27 N -4.60 0.02 -0.63 0.12 1.74 -1.26 -2.98 116.66 109.06 1mg2 n ARG 27 Ca 0.23 0.14 0.06 0.00 -0.77 0.00 0.00 57.85 57.51 1mg2 n ARG 27 Cb 0.79 -1.53 0.30 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 -1.56 1.47 0.25 -1.55 8.25 -0.27 -4.59 115.22 117.22 1mg2 n HIS 28 Ca 0.05 -0.52 0.12 0.00 -0.26 0.00 0.00 57.72 57.11 1mg2 n HIS 28 Cb 0.26 -0.37 0.66 0.00 1.12 0.00 0.00 29.99 31.66 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 -2.51 0.76 -4.84 0.00 2.88 -1.26 -1.09 113.62 107.56 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 0.28 -0.20 -0.06 0.00 -0.75 0.00 0.00 64.21 63.48 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 -1.89 4.61 -0.14 2.46 2.07 -0.91 -4.81 121.20 122.59 1mg2 s ILE 31 Ca 0.24 1.10 -0.04 0.00 -1.41 0.00 0.00 60.65 60.54 1mg2 s ILE 31 Cb 0.33 -3.67 0.05 0.00 0.13 0.00 0.00 42.46 39.31 1mg2 s ILE 31 CO -0.09 -0.12 0.08 -0.62 -1.91 0.00 0.00 174.94 172.28 1mg2 s ASP 32 N -2.13 2.08 0.00 4.50 2.15 -1.26 -1.04 116.67 120.98 1mg2 s ASP 32 Ca 0.53 -0.45 0.00 0.00 0.43 0.00 0.00 52.55 53.06 1mg2 s ASP 32 Cb -0.11 -0.25 0.00 0.00 -0.30 0.00 0.00 42.92 42.26 1mg2 s ASP 32 CO 0.18 -0.32 0.00 0.61 -0.17 0.00 0.00 175.17 175.47 1mg2 n GLY 33 N 5.27 0.57 3.04 2.66 0.00 -0.46 -4.86 105.19 111.41 1mg2 n GLY 33 Ca -0.06 -0.82 -0.14 0.00 0.00 0.00 0.00 46.02 44.99 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 0.86 -0.27 1.61 0.01 -1.26 -0.91 114.94 110.99 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 -0.00 0.01 0.00 0.41 0.00 0.00 41.25 41.67 1mg2 s ASN 34 CO 0.00 -0.12 1.15 -0.63 -1.51 0.00 0.00 177.10 175.99 1mg2 s ILE 35 N -1.03 4.43 0.38 0.60 1.01 -0.91 -0.50 121.20 125.18 1mg2 s ILE 35 Ca -0.06 1.68 0.13 0.00 0.00 0.00 0.00 60.65 62.40 1mg2 s ILE 35 Cb -0.08 -4.27 0.35 0.00 0.01 0.00 0.00 42.46 38.47 1mg2 s ILE 35 CO 0.00 -0.35 1.84 0.00 0.00 0.00 0.00 174.94 176.43 1mg2 h ASP 37 N 0.56 0.00 -0.17 0.00 3.58 -1.77 -0.21 116.42 118.41 1mg2 h ASP 37 Ca 0.49 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.94 1mg2 h ASP 37 Cb 1.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.05 1mg2 h ASP 37 CO -0.23 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.13 1mg2 n SER 39 N 0.61 0.79 0.00 0.00 3.41 -0.14 -4.87 113.62 113.42 1mg2 n SER 39 Ca 0.17 -2.31 0.00 0.00 -0.26 0.00 0.00 58.87 56.47 1mg2 n SER 39 Cb 0.41 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 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 -0.10 0.65 0.00 5.00 0.00 -1.23 -4.79 105.19 104.73 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 -1.20 1.64 1.50 -0.02 0.00 -0.92 -4.35 105.19 101.84 1mg2 n GLY 41 Ca 0.00 -1.81 -0.07 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.51 -0.34 1.61 3.41 -0.54 -4.42 113.62 112.83 1mg2 n SER 42 Ca 0.00 -1.91 0.09 0.00 -0.26 0.00 0.00 58.87 56.79 1mg2 n SER 42 Cb 0.00 1.01 0.25 0.00 -0.26 0.00 0.00 64.21 65.21 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 0.76 -2.73 1.04 6.46 -1.94 -3.16 115.31 115.73 1mg2 h LEU 43 Ca -0.12 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 1mg2 h LEU 43 Cb 0.54 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.41 1mg2 h LEU 43 CO 0.16 0.35 -0.01 0.35 -0.62 0.00 0.00 178.44 178.67 1mg2 n THR 44 N -4.74 0.95 -4.29 1.05 -2.24 -1.26 -1.26 114.28 102.49 1mg2 n THR 44 Ca 0.19 -1.00 -0.21 0.00 -2.27 0.00 0.00 64.05 60.76 1mg2 n THR 44 Cb 0.44 0.48 -0.12 0.00 -2.10 0.00 0.00 70.33 69.03 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 -1.08 2.44 0.37 3.42 0.02 -1.19 -4.88 114.94 114.04 1mg2 s ASN 45 Ca 0.03 -0.78 -0.17 0.00 -1.02 0.00 0.00 52.86 50.93 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 -0.03 0.82 0.00 0.02 0.00 0.00 177.10 177.91 1mg2 s PRO 47 N -3.17 2.48 0.35 0.00 0.02 -1.26 -4.56 135.00 128.86 1mg2 s PRO 47 Ca 0.57 1.30 -0.28 0.00 0.02 0.00 0.00 61.00 62.60 1mg2 s PRO 47 Cb -0.10 -1.92 -0.12 0.00 0.02 0.00 0.00 34.50 32.39 1mg2 s PRO 47 CO 0.18 -1.49 1.43 -2.30 -0.33 0.00 0.00 177.00 174.49 1mg2 n PRO 48 N -3.00 2.48 0.00 5.54 -0.02 -1.26 -2.46 135.00 136.28 1mg2 n PRO 48 Ca 0.10 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 1mg2 n PRO 48 Cb 0.52 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 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 0.82 2.60 3.96 -1.23 0.00 -1.26 -5.04 105.19 105.04 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 -2.16 3.25 -0.11 2.61 -4.23 -1.03 -4.93 115.64 109.03 1mg2 s THR 50 Ca 0.00 -0.51 -0.01 0.00 -1.18 0.00 0.00 61.69 59.99 1mg2 s THR 50 Cb 0.00 -3.23 -0.03 0.00 1.34 0.00 0.00 72.50 70.59 1mg2 s THR 50 CO 0.00 -0.17 -0.07 -0.54 -0.54 0.00 0.00 174.62 173.29 1mg2 s LYS 51 N -4.74 3.23 -0.32 3.99 -0.14 0.13 -4.85 119.74 117.03 1mg2 s LYS 51 Ca 0.54 -0.58 -0.22 0.00 -1.36 0.00 0.00 55.97 54.35 1mg2 s LYS 51 Cb -0.10 -2.71 -0.00 0.00 -1.68 0.00 0.00 37.83 33.34 1mg2 s LYS 51 CO 0.39 0.40 0.71 -1.17 -0.76 0.00 0.00 175.35 174.93 1mg2 s LEU 52 N -0.11 4.14 0.70 3.17 2.96 -1.26 0.53 118.68 128.80 1mg2 s LEU 52 Ca 0.01 0.46 -0.13 0.00 -0.22 0.00 0.00 54.13 54.24 1mg2 s LEU 52 Cb -0.13 -2.94 0.02 0.00 0.50 0.00 0.00 46.19 43.63 1mg2 s LEU 52 CO 0.03 -0.59 1.09 0.00 -1.32 0.00 0.00 176.35 175.56 1mg2 s ALA 53 N 2.84 2.44 -0.25 5.97 0.00 -0.72 -4.00 121.76 128.03 1mg2 s ALA 53 Ca 0.29 0.39 -0.00 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 19.54 1mg2 s ALA 53 CO 0.13 -1.40 -0.23 0.25 0.00 0.00 0.00 175.76 174.51 1mg2 n THR 54 N -2.83 1.41 -2.21 0.00 -2.24 -0.75 -4.75 114.28 102.91 1mg2 n THR 54 Ca 0.09 -0.51 -0.26 0.00 -2.27 0.00 0.00 64.05 61.10 1mg2 n THR 54 Cb 0.53 -1.43 0.06 0.00 -2.10 0.00 0.00 70.33 67.38 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 3.14 0.00 6.98 0.00 -1.10 -4.98 121.76 123.31 1mg2 s ALA 55 Ca -0.33 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 50.79 1mg2 s ALA 55 Cb 0.09 -2.65 0.00 0.00 0.00 0.00 0.00 23.12 20.57 1mg2 s ALA 55 CO 0.55 -1.21 0.00 -1.13 0.00 0.00 0.00 175.76 173.97 1mg2 n SER 56 N -2.88 0.00 -3.42 0.00 3.41 -1.26 -4.56 113.62 104.91 1mg2 n SER 56 Ca 0.07 0.00 -0.05 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 -0.21 -3.33 -7.23 -0.66 -4.90 120.40 106.23 1mg2 s VAL 58 Ca 0.00 -0.79 -0.28 0.00 -1.81 0.00 0.00 61.98 59.10 1mg2 s VAL 58 Cb 0.00 -2.51 0.12 0.00 0.56 0.00 0.00 36.38 34.55 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 -2.78 -1.94 -0.30 1.32 0.00 -1.02 -4.58 121.76 112.46 1mg2 s ALA 59 Ca 0.16 1.72 -0.22 0.00 0.00 0.00 0.00 51.96 53.61 1mg2 s ALA 59 Cb -0.04 -1.02 -0.00 0.00 0.00 0.00 0.00 23.12 22.06 1mg2 s ALA 59 CO 0.07 -0.28 0.73 0.45 0.00 0.00 0.00 175.76 176.73 1mg2 s SER 60 N -0.45 6.62 -0.11 0.00 0.15 -1.26 -0.80 113.70 117.84 1mg2 s SER 60 Ca 0.00 0.62 -0.00 0.00 0.70 0.00 0.00 55.95 57.26 1mg2 s SER 60 Cb -0.03 -2.38 -0.02 0.00 -1.71 0.00 0.00 66.02 61.88 1mg2 s SER 60 CO -0.02 -0.55 -0.10 0.00 1.20 0.00 0.00 173.24 173.77 1mg2 s TYR 62 N -0.01 3.58 -0.44 0.00 5.04 -1.26 -0.70 117.35 123.57 1mg2 s TYR 62 Ca -0.02 1.55 -0.15 0.00 -2.44 0.00 0.00 57.07 56.00 1mg2 s TYR 62 Cb -0.14 -3.07 0.04 0.00 0.35 0.00 0.00 41.96 39.14 1mg2 s TYR 62 CO 0.04 -0.08 0.35 1.21 -1.34 0.00 0.00 175.55 175.73 1mg2 s ASN 63 N 1.01 6.13 0.43 4.32 3.84 0.09 -4.84 114.94 125.92 1mg2 s ASN 63 Ca 0.47 -1.05 0.29 0.00 0.21 0.00 0.00 52.86 52.79 1mg2 s ASN 63 Cb -0.19 -2.17 1.51 0.00 -0.55 0.00 0.00 41.25 39.84 1mg2 s ASN 63 CO 0.22 -0.54 1.89 1.55 -2.79 0.00 0.00 177.10 177.43 1mg2 h PRO 64 N 8.69 0.00 -0.04 0.43 0.13 -1.88 0.65 132.00 139.98 1mg2 h PRO 64 Ca -0.28 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.81 1mg2 h PRO 64 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1mg2 h PRO 64 CO 0.79 0.00 -0.17 1.15 -0.23 0.00 0.00 178.00 179.54 1mg2 h THR 65 N 0.00 1.47 -0.14 1.56 2.02 -1.94 -3.36 112.91 112.52 1mg2 h THR 65 Ca 0.00 -1.64 0.00 0.00 0.77 0.00 0.00 66.41 65.54 1mg2 h THR 65 Cb 0.10 2.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.96 1mg2 h THR 65 CO 0.00 0.45 0.00 -0.90 0.37 0.00 0.00 175.52 175.44 1mg2 n ASP 66 N -4.59 2.20 -0.24 4.18 5.68 -1.15 -4.99 116.55 117.66 1mg2 n ASP 66 Ca -0.09 -1.69 -0.03 0.00 -0.50 0.00 0.00 54.79 52.48 1mg2 n ASP 66 Cb 0.42 -0.09 -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 0.32 0.42 3.89 6.12 0.00 0.21 -4.98 105.19 111.17 1mg2 n GLY 67 Ca 0.07 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.85 3.25 -0.14 1.61 -1.52 -1.22 -4.86 119.66 114.93 1mg2 s GLN 68 Ca 0.00 -0.69 -0.04 0.00 -1.95 0.00 0.00 55.36 52.68 1mg2 s GLN 68 Cb 0.00 -2.86 -0.03 0.00 -0.22 0.00 0.00 33.01 29.90 1mg2 s GLN 68 CO 0.00 0.51 -0.01 -1.12 -0.25 0.00 0.00 175.29 174.42 1mg2 s SER 69 N -3.18 5.10 0.08 5.90 0.01 -1.26 -0.73 113.70 119.62 1mg2 s SER 69 Ca 0.33 0.00 0.09 0.00 1.31 0.00 0.00 55.95 57.69 1mg2 s SER 69 Cb -0.11 -1.71 -0.03 0.00 0.21 0.00 0.00 66.02 64.38 1mg2 s SER 69 CO 0.27 0.24 -0.25 -0.31 0.41 0.00 0.00 173.24 173.60 1mg2 s TYR 70 N -0.04 2.14 -0.25 2.43 1.51 0.13 0.04 117.35 123.30 1mg2 s TYR 70 Ca 0.03 -0.40 -0.25 0.00 -1.01 0.00 0.00 57.07 55.45 1mg2 s TYR 70 Cb -0.13 -1.23 -0.00 0.00 -0.11 0.00 0.00 41.96 40.49 1mg2 s TYR 70 CO 0.02 0.19 0.85 -1.17 -1.11 0.00 0.00 175.55 174.33 1mg2 s LEU 71 N -1.56 4.08 -0.19 -1.29 2.96 0.13 -0.19 118.68 122.62 1mg2 s LEU 71 Ca 0.11 1.03 -0.09 0.00 -0.22 0.00 0.00 54.13 54.96 1mg2 s LEU 71 Cb -0.10 -3.21 -0.05 0.00 0.50 0.00 0.00 46.19 43.34 1mg2 s LEU 71 CO 0.03 -0.54 0.11 -0.63 -1.32 0.00 0.00 176.35 174.01 1mg2 s ILE 72 N 2.89 5.27 -0.53 6.68 -1.09 0.02 -1.15 121.20 133.30 1mg2 s ILE 72 Ca 0.35 0.14 -0.14 0.00 -2.23 0.00 0.00 60.65 58.77 1mg2 s ILE 72 Cb -0.15 -3.39 0.13 0.00 -1.58 0.00 0.00 42.46 37.47 1mg2 s ILE 72 CO 0.08 0.46 0.46 0.00 -1.23 0.00 0.00 174.94 174.71 1mg2 s ALA 73 N 0.23 3.59 -1.22 9.38 0.00 -0.66 -2.45 121.76 130.63 1mg2 s ALA 73 Ca 0.08 -2.55 -0.19 0.00 0.00 0.00 0.00 51.96 49.30 1mg2 s ALA 73 Cb -0.11 -3.16 -0.01 0.00 0.00 0.00 0.00 23.12 19.83 1mg2 s ALA 73 CO -0.01 -1.99 1.94 0.66 0.00 0.00 0.00 175.76 176.35 1mg2 n TYR 74 N 5.15 3.46 -2.87 0.00 4.01 -1.26 -4.10 117.16 121.55 1mg2 n TYR 74 Ca -0.12 -2.39 -0.34 0.00 -0.16 0.00 0.00 57.90 54.89 1mg2 n TYR 74 Cb 0.40 -2.45 -0.07 0.00 -0.31 0.00 0.00 39.34 36.92 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 4.59 4.29 0.12 -0.72 0.52 -1.25 -4.71 118.95 121.80 1mg2 s ARG 75 Ca 0.56 1.10 0.03 0.00 -0.52 0.00 0.00 55.73 56.90 1mg2 s ARG 75 Cb 0.07 -2.40 -0.04 0.00 0.52 0.00 0.00 34.95 33.10 1mg2 s ARG 75 CO 0.06 0.09 0.17 -0.51 0.02 0.00 0.00 175.30 175.12 1mg2 s ASP 76 N -2.02 5.84 -0.22 0.23 1.01 -1.06 -1.76 116.67 118.69 1mg2 s ASP 76 Ca 0.57 0.04 -0.09 0.00 0.71 0.00 0.00 52.55 53.78 1mg2 s ASP 76 Cb -0.12 -1.64 -0.04 0.00 1.01 0.00 0.00 42.92 42.12 1mg2 s ASP 76 CO 0.17 0.11 0.11 0.00 0.21 0.00 0.00 175.17 175.77 1mg2 n GLY 79 N -1.00 0.77 3.06 0.00 0.00 -0.90 0.19 105.19 107.32 1mg2 n GLY 79 Ca -0.10 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 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 0.57 0.66 1.61 1.51 -1.26 -4.96 117.35 113.48 1mg2 s TYR 80 Ca 0.00 -0.69 -0.15 0.00 -1.01 0.00 0.00 57.07 55.22 1mg2 s TYR 80 Cb 0.00 -0.36 -0.00 0.00 -0.11 0.00 0.00 41.96 41.49 1mg2 s TYR 80 CO 0.00 -0.18 1.10 1.21 -1.11 0.00 0.00 175.55 176.57 1mg2 s ASN 81 N -2.08 5.14 0.12 2.29 2.47 -1.26 -3.58 114.94 118.05 1mg2 s ASN 81 Ca -0.04 1.97 -0.35 0.00 0.42 0.00 0.00 52.86 54.86 1mg2 s ASN 81 Cb -0.04 -2.55 -0.17 0.00 -1.45 0.00 0.00 41.25 37.05 1mg2 s ASN 81 CO -0.03 -1.61 1.11 0.52 -3.72 0.00 0.00 177.10 173.37 1mg2 n VAL 82 N -2.45 0.64 -0.26 -5.21 0.31 -0.99 -4.57 118.33 105.80 1mg2 n VAL 82 Ca 0.10 -0.16 0.01 0.00 -0.01 0.00 0.00 64.34 64.28 1mg2 n VAL 82 Cb 0.52 -0.56 0.23 0.00 -0.91 0.00 0.00 33.84 33.12 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 3.26 0.91 0.00 4.52 4.64 -1.69 -3.46 113.55 121.73 1mg2 h SER 83 Ca -0.44 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1mg2 h SER 83 Cb 1.37 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1mg2 h SER 83 CO 0.69 0.64 0.00 0.61 -0.87 0.00 0.00 176.83 177.90 1mg2 n GLY 84 N -1.41 0.87 3.54 -0.77 0.00 -1.26 -5.02 105.19 101.13 1mg2 n GLY 84 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.03 2.78 -1.07 1.61 0.52 -1.26 -4.76 118.95 116.74 1mg2 s ARG 85 Ca 0.00 -0.59 -0.14 0.00 -0.52 0.00 0.00 55.73 54.47 1mg2 s ARG 85 Cb 0.00 -2.56 -0.03 0.00 0.52 0.00 0.00 34.95 32.89 1mg2 s ARG 85 CO 0.00 0.60 0.82 0.00 0.02 0.00 0.00 175.30 176.74 1mg2 s PRO 87 N -5.27 4.53 0.01 0.00 0.04 -1.26 -2.13 135.00 130.91 1mg2 s PRO 87 Ca 0.42 1.66 -0.11 0.00 0.04 0.00 0.00 61.00 63.00 1mg2 s PRO 87 Cb -0.12 -2.99 0.01 0.00 0.04 0.00 0.00 34.50 31.44 1mg2 s PRO 87 CO 0.82 0.15 0.23 0.00 0.04 0.00 0.00 177.00 178.24 1mg2 s LEU 89 N -1.55 -0.62 0.16 0.00 2.96 -1.25 -1.36 118.68 117.01 1mg2 s LEU 89 Ca -0.12 -0.10 0.09 0.00 -0.22 0.00 0.00 54.13 53.78 1mg2 s LEU 89 Cb -0.05 1.02 -0.04 0.00 0.50 0.00 0.00 46.19 47.62 1mg2 s LEU 89 CO 0.01 -0.33 -0.19 0.20 -1.32 0.00 0.00 176.35 174.73 1mg2 s ASN 90 N 2.52 2.68 -0.27 3.68 0.01 -0.21 -5.00 114.94 118.35 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 -0.14 -0.16 0.50 0.00 0.41 0.00 0.00 41.25 41.86 1mg2 s ASN 90 CO -0.22 -0.02 1.08 0.35 -1.51 0.00 0.00 177.10 176.77 1mg2 n THR 91 N 0.37 1.25 -1.79 1.60 -2.24 -1.20 -3.65 114.28 108.63 1mg2 n THR 91 Ca -0.14 -2.99 -0.43 0.00 -2.27 0.00 0.00 64.05 58.22 1mg2 n THR 91 Cb 0.57 1.11 -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 -3.66 3.35 0.00 -0.78 0.41 -0.25 -1.61 118.70 116.16 1mg2 s GLU 92 Ca 0.28 1.86 0.00 0.00 -0.41 0.00 0.00 54.97 56.70 1mg2 s GLU 92 Cb 0.35 -4.27 0.00 0.00 -1.78 0.00 0.00 34.13 28.44 1mg2 s GLU 92 CO -0.02 -1.84 0.00 0.41 -0.49 0.00 0.00 175.26 173.31 1mg2 n GLY 93 N 5.44 0.51 3.70 -1.39 0.00 -1.26 -4.70 105.19 107.49 1mg2 n GLY 93 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.42 4.25 0.25 1.61 -6.30 -0.63 -4.98 118.70 112.48 1mg2 s GLU 94 Ca 0.00 2.21 0.08 0.00 -2.50 0.00 0.00 54.97 54.76 1mg2 s GLU 94 Cb 0.00 -3.38 -0.04 0.00 0.00 0.00 0.00 34.13 30.71 1mg2 s GLU 94 CO 0.00 -0.60 0.09 -0.51 0.02 0.00 0.00 175.26 174.26 1mg2 s LEU 95 N 1.80 3.49 1.11 2.70 1.02 -0.83 -5.01 118.68 122.96 1mg2 s LEU 95 Ca 0.69 -0.45 -0.14 0.00 0.02 0.00 0.00 54.13 54.25 1mg2 s LEU 95 Cb -0.39 -2.02 0.20 0.00 0.02 0.00 0.00 46.19 44.00 1mg2 s LEU 95 CO 0.30 -0.01 0.70 -2.65 0.02 0.00 0.00 176.35 174.72 1mg2 n PRO 96 N -0.98 -1.80 0.26 1.29 -0.02 -1.26 -3.81 135.00 128.68 1mg2 n PRO 96 Ca -0.07 -0.49 0.16 0.00 -2.02 0.00 0.00 63.50 61.08 1mg2 n PRO 96 Cb 0.58 -2.04 0.89 0.00 -0.02 0.00 0.00 33.50 32.92 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 0.46 0.00 -1.45 3.04 -1.97 -1.38 116.25 112.63 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 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 31.53 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 -3.76 0.00 -3.03 3.17 0.18 -1.26 -2.37 117.16 110.09 1mg2 n TYR 98 Ca -0.01 0.00 -0.22 0.00 1.88 0.00 0.00 57.90 59.55 1mg2 n TYR 98 Cb 0.19 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.12 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 -0.96 2.04 -0.37 -3.48 5.12 -0.52 -4.98 116.66 113.50 1mg2 n ARG 99 Ca 0.15 -4.05 0.29 0.00 -1.93 0.00 0.00 57.85 52.32 1mg2 n ARG 99 Cb 0.07 -1.93 0.55 0.00 -1.16 0.00 0.00 32.46 29.99 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 2.97 0.22 -0.15 5.56 0.13 -1.61 -1.17 132.00 137.95 1mg2 h PRO 100 Ca 0.11 -0.01 0.04 0.00 -0.87 0.00 0.00 66.00 65.27 1mg2 h PRO 100 Cb 0.78 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 1mg2 h PRO 100 CO 0.65 0.14 0.38 1.05 -0.23 0.00 0.00 178.00 179.99 1mg2 h GLU 101 N 0.22 0.00 0.00 0.86 9.09 -1.91 -1.03 114.58 121.81 1mg2 h GLU 101 Ca 0.75 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.16 1mg2 h GLU 101 Cb 2.02 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.12 1mg2 h GLU 101 CO -0.50 0.00 -0.01 1.19 0.05 0.00 0.00 179.01 179.74 1mg2 n PHE 102 N -3.18 0.00 -3.34 2.06 3.72 -0.45 -1.66 117.46 114.61 1mg2 n PHE 102 Ca 0.01 -0.47 -0.38 0.00 -0.05 0.00 0.00 57.45 56.56 1mg2 n PHE 102 Cb 0.47 -0.05 -0.06 0.00 -0.94 0.00 0.00 39.48 38.90 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 -1.03 3.51 -0.56 4.37 0.00 -0.39 -1.96 121.76 125.70 1mg2 s ALA 103 Ca 0.03 -0.31 0.15 0.00 0.00 0.00 0.00 51.96 51.83 1mg2 s ALA 103 Cb 0.03 -2.64 0.48 0.00 0.00 0.00 0.00 23.12 20.99 1mg2 s ALA 103 CO 0.00 -0.10 1.39 0.27 0.00 0.00 0.00 175.76 177.32 1mg2 n ASN 104 N 3.96 3.68 0.03 0.00 2.04 -1.26 -4.27 115.26 119.44 1mg2 n ASN 104 Ca -0.07 -2.58 0.12 0.00 -0.44 0.00 0.00 54.58 51.61 1mg2 n ASN 104 Cb 0.51 -0.44 0.13 0.00 -2.53 0.00 0.00 39.78 37.45 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 0.08 0.62 -4.75 0.53 8.00 -1.26 -4.70 116.55 115.07 1mg2 n ASP 105 Ca 0.18 -0.14 -0.40 0.00 0.71 0.00 0.00 54.79 55.14 1mg2 n ASP 105 Cb 0.73 0.45 -0.04 0.00 -0.02 0.00 0.00 41.12 42.23 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 -3.13 3.56 -0.68 0.53 1.01 -1.26 -4.97 121.20 116.26 1mg2 s ILE 106 Ca 0.07 1.50 -0.26 0.00 0.00 0.00 0.00 60.65 61.95 1mg2 s ILE 106 Cb 0.15 -3.96 0.04 0.00 0.01 0.00 0.00 42.46 38.70 1mg2 s ILE 106 CO 0.75 0.33 1.19 -0.63 0.00 0.00 0.00 174.94 176.58 1mg2 s ILE 107 N -0.89 3.91 -1.43 2.92 -1.09 -1.26 -4.92 121.20 118.45 1mg2 s ILE 107 Ca 0.46 0.41 -0.13 0.00 -2.23 0.00 0.00 60.65 59.16 1mg2 s ILE 107 Cb -0.32 -4.82 0.06 0.00 -1.58 0.00 0.00 42.46 35.81 1mg2 s ILE 107 CO 0.40 -1.64 2.17 0.79 -1.23 0.00 0.00 174.94 175.43 1mg2 n TRP 108 N 8.81 3.45 0.48 3.97 7.02 -1.26 -4.49 117.44 135.41 1mg2 n TRP 108 Ca 0.03 -2.95 0.06 0.00 -1.02 0.00 0.00 57.50 53.62 1mg2 n TRP 108 Cb 0.48 -2.46 0.02 0.00 -2.42 0.00 0.00 31.31 26.94 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 0.20 2.31 -0.12 0.00 3.72 -1.26 -2.06 117.46 120.25 1mg2 n PHE 110 Ca 0.06 0.47 0.00 0.00 -0.05 0.00 0.00 57.45 57.92 1mg2 n PHE 110 Cb 0.26 -2.46 0.00 0.00 -0.94 0.00 0.00 39.48 36.34 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 1.50 1.28 3.77 1.37 0.00 -1.26 -1.81 105.19 110.04 1mg2 n GLY 111 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.60 2.68 0.63 4.61 0.00 -0.87 -4.26 121.76 121.96 1mg2 s ALA 112 Ca 0.00 0.89 -0.19 0.00 0.00 0.00 0.00 51.96 52.67 1mg2 s ALA 112 Cb 0.00 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 1mg2 s ALA 112 CO 0.00 -0.87 1.30 -1.21 0.00 0.00 0.00 175.76 174.98 1mg2 s GLU 113 N -3.24 2.63 -1.49 0.00 8.01 -1.26 -2.41 118.70 120.93 1mg2 s GLU 113 Ca 0.73 2.09 0.00 0.00 0.01 0.00 0.00 54.97 57.80 1mg2 s GLU 113 Cb -0.26 -1.90 0.00 0.00 -4.31 0.00 0.00 34.13 27.66 1mg2 s GLU 113 CO 0.29 -1.55 0.00 -0.25 0.01 0.00 0.00 175.26 173.77 1mg2 n ASP 114 N -1.79 -5.53 -2.60 -0.19 10.43 -1.26 -2.49 116.55 113.12 1mg2 n ASP 114 Ca 0.15 0.35 -0.19 0.00 2.57 0.00 0.00 54.79 57.67 1mg2 n ASP 114 Cb 0.48 -4.26 0.00 0.00 1.84 0.00 0.00 41.12 39.17 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 -1.13 -5.36 -4.72 -2.24 8.00 -1.01 -4.91 116.55 105.17 1mg2 n ASP 115 Ca -0.14 -0.05 -0.42 0.00 0.71 0.00 0.00 54.79 54.89 1mg2 n ASP 115 Cb 0.60 -4.45 -0.03 0.00 -0.02 0.00 0.00 41.12 37.22 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 -1.04 -4.88 121.76 118.95 1mg2 s ALA 116 Ca 0.09 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.50 1mg2 s ALA 116 Cb -0.04 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1mg2 s ALA 116 CO 0.11 -0.83 0.42 -1.33 0.00 0.00 0.00 175.76 174.12 1mg2 n MET 117 N 3.97 -0.33 -2.93 0.00 2.81 -1.26 -4.64 117.12 114.73 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 -0.85 -0.06 0.00 -0.71 0.00 0.00 33.22 31.97 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 -0.09 4.36 -0.12 2.03 -4.23 -1.26 -4.86 115.64 111.47 1mg2 s THR 118 Ca 0.00 1.63 -0.24 0.00 -1.18 0.00 0.00 61.69 61.91 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 0.28 0.73 -0.47 -0.54 0.00 0.00 174.62 174.62 1mg2 s TYR 119 N -1.45 3.50 -0.05 3.99 5.04 -1.26 -2.11 117.35 125.01 1mg2 s TYR 119 Ca 0.44 1.20 -0.06 0.00 -2.44 0.00 0.00 57.07 56.21 1mg2 s TYR 119 Cb -0.19 -2.87 -0.03 0.00 0.35 0.00 0.00 41.96 39.21 1mg2 s TYR 119 CO 0.24 -0.05 -0.13 1.58 -1.34 0.00 0.00 175.55 175.84 1mg2 n HIS 120 N 4.42 0.00 -3.81 4.97 -0.00 -0.78 -2.36 115.22 117.65 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 -3.01 1.79 0.28 0.00 2.01 0.34 -0.90 115.64 116.15 1mg2 s THR 122 Ca 0.15 -1.03 0.06 0.00 0.31 0.00 0.00 61.69 61.18 1mg2 s THR 122 Cb -0.03 -1.50 -0.03 0.00 0.01 0.00 0.00 72.50 70.95 1mg2 s THR 122 CO 0.06 0.46 0.31 0.27 -0.69 0.00 0.00 174.62 175.02 1mg2 s ILE 123 N -0.58 4.47 -0.54 1.82 -4.36 -0.72 -2.55 121.20 118.74 1mg2 s ILE 123 Ca 0.09 -1.20 0.07 0.00 -0.26 0.00 0.00 60.65 59.34 1mg2 s ILE 123 Cb -0.09 -3.51 0.31 0.00 1.25 0.00 0.00 42.46 40.43 1mg2 s ILE 123 CO -0.00 -0.28 0.82 -1.20 0.24 0.00 0.00 174.94 174.51 1mg2 n SER 124 N -1.36 3.20 -4.84 4.36 7.64 -0.39 -3.89 113.62 118.34 1mg2 n SER 124 Ca -0.06 -3.41 -0.32 0.00 1.01 0.00 0.00 58.87 56.10 1mg2 n SER 124 Cb 0.58 -0.61 -0.05 0.00 -1.01 0.00 0.00 64.21 63.12 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 -2.82 4.01 -0.04 1.43 0.04 -1.26 -4.81 135.00 131.54 1mg2 s PRO 125 Ca 0.44 0.83 -0.19 0.00 0.04 0.00 0.00 61.00 62.11 1mg2 s PRO 125 Cb 0.25 -2.28 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 1mg2 s PRO 125 CO -0.09 -0.05 0.54 0.42 0.04 0.00 0.00 177.00 177.86 1mg2 s ILE 126 N -2.29 5.02 -0.56 0.56 1.01 -1.26 -1.66 121.20 122.02 1mg2 s ILE 126 Ca 0.57 1.12 0.05 0.00 0.00 0.00 0.00 60.65 62.39 1mg2 s ILE 126 Cb -0.10 -3.88 0.05 0.00 0.01 0.00 0.00 42.46 38.54 1mg2 s ILE 126 CO 0.23 0.40 0.69 1.33 0.00 0.00 0.00 174.94 177.58 1mg2 n VAL 127 N 2.99 0.10 0.00 2.92 0.24 -0.30 -4.92 118.33 119.36 1mg2 n VAL 127 Ca -0.07 -0.55 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 1mg2 n VAL 127 Cb 0.51 1.04 0.00 0.00 -1.47 0.00 0.00 33.84 33.92 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 0.23 1.18 3.86 7.63 0.00 -1.24 -4.98 105.19 111.87 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 0.18 119.74 123.18 1mg2 s LYS 129 Ca 0.00 0.64 0.00 0.00 0.02 0.00 0.00 55.97 56.63 1mg2 s LYS 129 Cb 0.00 -2.35 0.00 0.00 -0.52 0.00 0.00 37.83 34.96 1mg2 s LYS 129 CO 0.00 -0.02 0.00 0.00 -0.92 0.00 0.00 175.35 174.41 1mg2 n ALA 130 N -1.04 0.00 1.57 5.17 0.00 0.11 -4.50 120.51 121.81 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