#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mg3 s ASP 8 N 0.00 6.41 0.39 3.42 3.68 -1.26 -4.97 116.67 124.34 1mg3 s ASP 8 Ca 0.00 0.27 0.11 0.00 2.13 0.00 0.00 52.55 55.05 1mg3 s ASP 8 Cb 0.00 -2.29 0.80 0.00 -1.45 0.00 0.00 42.92 39.97 1mg3 s ASP 8 CO 0.00 -0.44 1.91 1.55 0.13 0.00 0.00 175.17 178.32 1mg3 h PRO 9 N 8.27 0.17 0.00 4.34 0.13 -2.05 -2.97 132.00 139.88 1mg3 h PRO 9 Ca -0.28 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1mg3 h PRO 9 Cb 1.13 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1mg3 h PRO 9 CO 0.77 0.35 -0.37 0.00 -0.23 0.00 0.00 178.00 178.52 1mg3 h ARG 10 N 0.16 0.00 -7.17 0.86 3.08 -2.05 -3.47 114.38 105.79 1mg3 h ARG 10 Ca 0.03 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.56 1mg3 h ARG 10 Cb 0.42 0.00 0.13 0.00 0.08 0.00 0.00 29.97 30.60 1mg3 h ARG 10 CO 0.03 0.00 0.40 0.00 -1.07 0.00 0.00 179.97 179.33 1mg3 s ALA 11 N -3.19 2.32 0.47 0.04 0.00 -1.13 -4.94 121.76 115.33 1mg3 s ALA 11 Ca 0.06 0.80 -0.22 0.00 0.00 0.00 0.00 51.96 52.60 1mg3 s ALA 11 Cb 0.10 -3.42 -0.09 0.00 0.00 0.00 0.00 23.12 19.71 1mg3 s ALA 11 CO 0.69 -1.53 0.92 1.17 0.00 0.00 0.00 175.76 177.00 1mg3 n LYS 12 N -2.38 1.12 -2.45 0.00 4.81 -1.26 -4.90 118.16 113.10 1mg3 n LYS 12 Ca 0.12 0.41 -0.42 0.00 -0.87 0.00 0.00 58.31 57.55 1mg3 n LYS 12 Cb 0.51 -1.99 -0.03 0.00 0.02 0.00 0.00 35.03 33.54 1mg3 n LYS 12 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 1mg3 s TRP 13 N -1.38 3.17 -0.40 5.64 -0.00 -1.26 -5.00 118.94 119.72 1mg3 s TRP 13 Ca 0.66 1.20 -0.04 0.00 -0.00 0.00 0.00 56.10 57.92 1mg3 s TRP 13 Cb -0.52 -3.43 0.10 0.00 -0.00 0.00 0.00 33.47 29.61 1mg3 s TRP 13 CO 0.55 -1.36 0.18 0.08 -0.00 0.00 0.00 176.95 176.41 1mg3 s VAL 14 N 2.25 3.37 0.56 5.86 1.01 -1.26 -5.10 120.40 127.09 1mg3 s VAL 14 Ca 0.56 -1.88 -0.19 0.00 0.00 0.00 0.00 61.98 60.47 1mg3 s VAL 14 Cb -0.25 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 1mg3 s VAL 14 CO 0.22 -0.59 1.14 -2.16 0.00 0.00 0.00 175.10 173.71 1mg3 s PRO 15 N 1.19 3.23 0.08 2.72 0.04 -1.26 -4.89 135.00 136.12 1mg3 s PRO 15 Ca 0.06 1.62 0.03 0.00 0.04 0.00 0.00 61.00 62.74 1mg3 s PRO 15 Cb -0.22 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 1mg3 s PRO 15 CO -0.03 -0.95 -0.08 1.14 0.04 0.00 0.00 177.00 177.12 1mg3 s GLN 16 N -3.38 0.74 -0.44 4.56 1.03 0.05 -4.85 119.66 117.36 1mg3 s GLN 16 Ca 0.73 -1.09 0.09 0.00 0.04 0.00 0.00 55.36 55.12 1mg3 s GLN 16 Cb -0.24 -0.35 0.40 0.00 0.03 0.00 0.00 33.01 32.85 1mg3 s GLN 16 CO 0.29 0.04 1.00 -3.47 -2.54 0.00 0.00 175.29 170.61 1mg3 n ASP 17 N 0.64 3.54 0.00 12.60 2.03 -1.26 -0.52 116.55 133.58 1mg3 n ASP 17 Ca -0.17 -3.42 0.00 0.00 0.52 0.00 0.00 54.79 51.72 1mg3 n ASP 17 Cb 0.58 -0.51 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 1mg3 n ASP 17 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1mg3 n ASN 18 N -0.26 0.00 -3.18 1.67 0.23 -1.26 -5.05 115.26 107.42 1mg3 n ASN 18 Ca 0.29 -0.96 0.02 0.00 -0.53 0.00 0.00 54.58 53.40 1mg3 n ASN 18 Cb 0.63 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.32 1mg3 n ASN 18 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1mg3 s ASP 19 N 0.00 -1.24 0.00 0.53 -1.08 -1.26 -5.03 116.67 108.60 1mg3 s ASP 19 Ca 0.00 0.34 0.22 0.00 -0.52 0.00 0.00 52.55 52.59 1mg3 s ASP 19 Cb 0.00 1.93 1.24 0.00 -1.46 0.00 0.00 42.92 44.63 1mg3 s ASP 19 CO 0.00 -0.29 1.70 2.30 0.52 0.00 0.00 175.17 179.40 1mg3 n ILE 20 N 5.41 0.12 1.02 4.11 -5.35 -1.26 -2.65 119.36 120.76 1mg3 n ILE 20 Ca 0.02 0.03 0.12 0.00 -0.27 0.00 0.00 62.75 62.65 1mg3 n ILE 20 Cb 0.52 -0.68 0.17 0.00 -1.74 0.00 0.00 39.64 37.92 1mg3 n ILE 20 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1mg3 n GLN 21 N -1.10 2.24 -3.87 6.28 6.02 -1.26 -4.90 117.38 120.79 1mg3 n GLN 21 Ca 0.14 -1.81 -0.31 0.00 -0.01 0.00 0.00 57.00 55.01 1mg3 n GLN 21 Cb 0.11 -1.47 -0.04 0.00 1.02 0.00 0.00 30.24 29.86 1mg3 n GLN 21 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1mg3 s ALA 22 N -1.95 3.97 -0.44 -1.58 0.00 -1.08 -4.97 121.76 115.69 1mg3 s ALA 22 Ca 0.30 -0.78 0.25 0.00 0.00 0.00 0.00 51.96 51.73 1mg3 s ALA 22 Cb 0.20 -1.89 1.00 0.00 0.00 0.00 0.00 23.12 22.43 1mg3 s ALA 22 CO 0.31 0.80 1.75 0.00 0.00 0.00 0.00 175.76 178.61 1mg3 n ASP 24 N -2.34 3.00 -4.73 0.00 5.75 -1.26 -4.79 116.55 112.18 1mg3 n ASP 24 Ca 0.02 -2.10 -0.42 0.00 -0.01 0.00 0.00 54.79 52.28 1mg3 n ASP 24 Cb 0.26 -0.39 -0.03 0.00 -1.03 0.00 0.00 41.12 39.93 1mg3 n ASP 24 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1mg3 s TYR 25 N -1.46 3.18 0.47 2.11 5.04 -1.04 -0.77 117.35 124.88 1mg3 s TYR 25 Ca 0.35 1.03 0.25 0.00 -2.44 0.00 0.00 57.07 56.26 1mg3 s TYR 25 Cb 0.20 -3.71 1.28 0.00 0.35 0.00 0.00 41.96 40.07 1mg3 s TYR 25 CO 0.21 -2.39 1.84 0.11 -1.34 0.00 0.00 175.55 173.99 1mg3 h TRP 26 N 5.87 0.32 0.00 4.97 5.08 -1.13 -0.85 115.95 130.20 1mg3 h TRP 26 Ca -0.44 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.54 1mg3 h TRP 26 Cb 1.21 -0.10 0.00 0.00 -3.00 0.00 0.00 29.16 27.28 1mg3 h TRP 26 CO 0.63 0.06 0.00 0.54 -1.28 0.00 0.00 178.44 178.39 1mg3 n ARG 27 N -4.42 0.09 -0.35 0.12 5.12 -1.26 -3.30 116.66 112.66 1mg3 n ARG 27 Ca 0.21 0.03 0.07 0.00 -1.93 0.00 0.00 57.85 56.23 1mg3 n ARG 27 Cb 0.89 -1.50 0.24 0.00 -1.16 0.00 0.00 32.46 30.93 1mg3 n ARG 27 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1mg3 n HIS 28 N -1.45 0.87 0.19 -1.55 8.25 -0.32 -4.60 115.22 116.61 1mg3 n HIS 28 Ca 0.08 -0.38 0.08 0.00 -0.26 0.00 0.00 57.72 57.23 1mg3 n HIS 28 Cb 0.30 -0.09 0.40 0.00 1.12 0.00 0.00 29.99 31.72 1mg3 n HIS 28 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1mg3 n SER 30 N -2.17 0.71 -4.85 0.00 2.88 -1.26 -1.02 113.62 107.91 1mg3 n SER 30 Ca -0.01 -2.04 -0.34 0.00 -1.33 0.00 0.00 58.87 55.15 1mg3 n SER 30 Cb 0.36 -0.18 -0.06 0.00 -0.75 0.00 0.00 64.21 63.58 1mg3 n SER 30 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1mg3 s ILE 31 N -1.82 4.75 -0.06 2.46 2.07 -0.69 -4.83 121.20 123.08 1mg3 s ILE 31 Ca 0.24 0.89 0.00 0.00 -1.41 0.00 0.00 60.65 60.37 1mg3 s ILE 31 Cb 0.33 -3.70 0.02 0.00 0.13 0.00 0.00 42.46 39.25 1mg3 s ILE 31 CO -0.09 0.04 -0.03 -0.62 -1.91 0.00 0.00 174.94 172.34 1mg3 s ASP 32 N -2.01 1.24 0.00 4.50 2.15 -1.26 -1.04 116.67 120.26 1mg3 s ASP 32 Ca 0.46 -0.12 0.00 0.00 0.43 0.00 0.00 52.55 53.32 1mg3 s ASP 32 Cb -0.13 -0.46 0.00 0.00 -0.30 0.00 0.00 42.92 42.03 1mg3 s ASP 32 CO 0.19 -0.11 0.00 0.61 -0.17 0.00 0.00 175.17 175.69 1mg3 n GLY 33 N 4.53 0.14 3.17 2.66 0.00 -0.35 -4.79 105.19 110.55 1mg3 n GLY 33 Ca -0.17 -1.47 -0.21 0.00 0.00 0.00 0.00 46.02 44.17 1mg3 n GLY 33 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mg3 s ASN 34 N -4.00 1.87 -0.43 1.61 0.01 -1.26 -0.16 114.94 112.57 1mg3 s ASN 34 Ca 0.00 -0.49 -0.29 0.00 -0.71 0.00 0.00 52.86 51.38 1mg3 s ASN 34 Cb 0.00 -0.13 0.02 0.00 0.41 0.00 0.00 41.25 41.55 1mg3 s ASN 34 CO 0.00 0.06 1.26 -0.63 -1.51 0.00 0.00 177.10 176.28 1mg3 s ILE 35 N -0.87 4.08 0.37 0.60 1.01 -0.75 -0.51 121.20 125.13 1mg3 s ILE 35 Ca 0.03 1.12 0.17 0.00 0.00 0.00 0.00 60.65 61.97 1mg3 s ILE 35 Cb -0.08 -4.40 0.37 0.00 0.01 0.00 0.00 42.46 38.36 1mg3 s ILE 35 CO 0.01 -0.85 1.71 0.00 0.00 0.00 0.00 174.94 175.81 1mg3 n ASP 37 N -4.81 0.00 -1.07 0.00 2.03 -1.25 -0.59 116.55 110.86 1mg3 n ASP 37 Ca 0.29 0.34 0.11 0.00 0.52 0.00 0.00 54.79 56.06 1mg3 n ASP 37 Cb 0.97 -0.34 0.18 0.00 -0.72 0.00 0.00 41.12 41.21 1mg3 n ASP 37 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1mg3 n SER 39 N 1.41 0.60 0.00 0.00 3.41 0.24 -4.88 113.62 114.40 1mg3 n SER 39 Ca 0.17 -2.18 0.00 0.00 -0.26 0.00 0.00 58.87 56.61 1mg3 n SER 39 Cb 0.59 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 1mg3 n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mg3 n GLY 40 N -0.00 0.93 0.00 5.00 0.00 -1.21 -4.80 105.19 105.11 1mg3 n GLY 40 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1mg3 n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mg3 n GLY 41 N -0.74 1.56 3.36 -0.02 0.00 -0.88 -4.36 105.19 104.11 1mg3 n GLY 41 Ca 0.00 -1.98 -0.22 0.00 0.00 0.00 0.00 46.02 43.82 1mg3 n GLY 41 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mg3 s SER 42 N -1.00 2.07 0.41 1.61 1.04 -0.23 -4.14 113.70 113.46 1mg3 s SER 42 Ca 0.00 -1.76 0.21 0.00 0.48 0.00 0.00 55.95 54.88 1mg3 s SER 42 Cb 0.00 0.57 1.16 0.00 0.10 0.00 0.00 66.02 67.85 1mg3 s SER 42 CO 0.00 -1.04 1.77 0.25 0.98 0.00 0.00 173.24 175.19 1mg3 h LEU 43 N 2.01 0.40 -2.46 2.42 6.46 -1.94 -2.86 115.31 119.33 1mg3 h LEU 43 Ca -0.27 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.57 1mg3 h LEU 43 Cb 1.24 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 41.19 1mg3 h LEU 43 CO 0.41 0.06 -0.04 0.35 -0.62 0.00 0.00 178.44 178.61 1mg3 n THR 44 N -4.59 0.84 -4.28 1.05 -2.24 -1.26 -1.42 114.28 102.38 1mg3 n THR 44 Ca 0.26 -0.91 -0.19 0.00 -2.27 0.00 0.00 64.05 60.94 1mg3 n THR 44 Cb 0.94 0.49 -0.13 0.00 -2.10 0.00 0.00 70.33 69.53 1mg3 n THR 44 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1mg3 s ASN 45 N -1.08 1.59 0.60 3.42 -0.87 -1.08 -4.89 114.94 112.63 1mg3 s ASN 45 Ca 0.05 -0.49 -0.15 0.00 -1.57 0.00 0.00 52.86 50.70 1mg3 s ASN 45 Cb 0.05 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.25 41.16 1mg3 s ASN 45 CO 0.01 -0.01 1.05 0.00 -2.57 0.00 0.00 177.10 175.58 1mg3 s PRO 47 N -4.19 3.56 0.24 0.00 0.02 -1.26 -4.51 135.00 128.86 1mg3 s PRO 47 Ca 0.63 0.99 -0.30 0.00 0.02 0.00 0.00 61.00 62.33 1mg3 s PRO 47 Cb -0.15 -2.08 -0.15 0.00 0.02 0.00 0.00 34.50 32.14 1mg3 s PRO 47 CO 0.39 -0.59 1.08 -2.30 -0.33 0.00 0.00 177.00 175.24 1mg3 n PRO 48 N -2.14 1.28 0.00 5.54 -0.02 -1.26 -2.11 135.00 136.29 1mg3 n PRO 48 Ca 0.07 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1mg3 n PRO 48 Cb 0.54 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 1mg3 n PRO 48 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mg3 n GLY 49 N 1.62 2.70 3.95 -1.23 0.00 -1.26 -5.02 105.19 105.93 1mg3 n GLY 49 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1mg3 n GLY 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mg3 s THR 50 N -2.13 2.51 -0.13 2.61 -4.23 -0.90 -4.94 115.64 108.44 1mg3 s THR 50 Ca 0.00 -0.41 -0.01 0.00 -1.18 0.00 0.00 61.69 60.09 1mg3 s THR 50 Cb 0.00 -3.03 -0.02 0.00 1.34 0.00 0.00 72.50 70.79 1mg3 s THR 50 CO 0.00 -0.03 -0.11 -0.54 -0.54 0.00 0.00 174.62 173.40 1mg3 s LYS 51 N -5.04 3.40 -0.24 3.99 -0.14 0.20 -4.86 119.74 117.04 1mg3 s LYS 51 Ca 0.59 -0.65 -0.24 0.00 -1.36 0.00 0.00 55.97 54.31 1mg3 s LYS 51 Cb -0.11 -2.67 -0.01 0.00 -1.68 0.00 0.00 37.83 33.36 1mg3 s LYS 51 CO 0.42 0.24 0.78 -1.17 -0.76 0.00 0.00 175.35 174.86 1mg3 s LEU 52 N 0.29 4.08 0.60 3.17 2.96 -1.26 0.47 118.68 128.99 1mg3 s LEU 52 Ca -0.09 0.96 -0.15 0.00 -0.22 0.00 0.00 54.13 54.64 1mg3 s LEU 52 Cb -0.15 -3.11 -0.03 0.00 0.50 0.00 0.00 46.19 43.40 1mg3 s LEU 52 CO 0.05 -0.47 1.05 0.00 -1.32 0.00 0.00 176.35 175.66 1mg3 s ALA 53 N 2.72 2.76 -0.27 5.97 0.00 -0.83 -3.91 121.76 128.20 1mg3 s ALA 53 Ca 0.33 0.33 -0.10 0.00 0.00 0.00 0.00 51.96 52.52 1mg3 s ALA 53 Cb -0.15 -3.21 -0.13 0.00 0.00 0.00 0.00 23.12 19.62 1mg3 s ALA 53 CO 0.08 -0.82 -0.32 0.25 0.00 0.00 0.00 175.76 174.95 1mg3 n THR 54 N -2.15 1.52 -1.94 0.00 -2.24 -0.85 -4.75 114.28 103.87 1mg3 n THR 54 Ca 0.08 -0.43 -0.29 0.00 -2.27 0.00 0.00 64.05 61.14 1mg3 n THR 54 Cb 0.53 -1.77 0.07 0.00 -2.10 0.00 0.00 70.33 67.06 1mg3 n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mg3 s ALA 55 N -2.51 2.81 0.00 6.98 0.00 -1.14 -4.99 121.76 122.91 1mg3 s ALA 55 Ca -0.38 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.03 1mg3 s ALA 55 Cb 0.13 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 20.31 1mg3 s ALA 55 CO 0.52 -1.41 0.00 -1.13 0.00 0.00 0.00 175.76 173.74 1mg3 n SER 56 N -3.14 0.00 -3.32 0.00 3.41 -1.26 -4.64 113.62 104.66 1mg3 n SER 56 Ca 0.07 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.65 1mg3 n SER 56 Cb 0.59 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.56 1mg3 n SER 56 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1mg3 s VAL 58 N 0.00 0.00 -0.20 -3.33 -7.23 -0.98 -4.91 120.40 103.74 1mg3 s VAL 58 Ca 0.00 -0.62 -0.30 0.00 -1.81 0.00 0.00 61.98 59.26 1mg3 s VAL 58 Cb 0.00 -2.90 0.15 0.00 0.56 0.00 0.00 36.38 34.18 1mg3 s VAL 58 CO 0.00 0.00 1.11 0.00 -0.31 0.00 0.00 175.10 175.90 1mg3 s ALA 59 N -2.17 -1.99 -0.44 1.32 0.00 -0.94 -4.65 121.76 112.89 1mg3 s ALA 59 Ca 0.22 1.69 -0.20 0.00 0.00 0.00 0.00 51.96 53.66 1mg3 s ALA 59 Cb -0.03 -0.99 0.03 0.00 0.00 0.00 0.00 23.12 22.12 1mg3 s ALA 59 CO 0.06 -0.28 0.63 0.45 0.00 0.00 0.00 175.76 176.62 1mg3 s SER 60 N -1.00 6.31 -0.14 0.00 0.15 -1.26 -0.72 113.70 117.03 1mg3 s SER 60 Ca 0.02 -0.40 -0.06 0.00 0.70 0.00 0.00 55.95 56.21 1mg3 s SER 60 Cb -0.01 -2.31 -0.04 0.00 -1.71 0.00 0.00 66.02 61.95 1mg3 s SER 60 CO -0.02 -0.78 0.06 0.00 1.20 0.00 0.00 173.24 173.71 1mg3 s TYR 62 N -0.28 3.66 -0.47 0.00 5.04 -1.26 -0.93 117.35 123.11 1mg3 s TYR 62 Ca 0.08 1.47 -0.14 0.00 -2.44 0.00 0.00 57.07 56.05 1mg3 s TYR 62 Cb -0.12 -2.91 0.09 0.00 0.35 0.00 0.00 41.96 39.37 1mg3 s TYR 62 CO 0.02 0.13 0.38 1.21 -1.34 0.00 0.00 175.55 175.95 1mg3 s ASN 63 N 0.53 6.01 0.65 4.32 3.84 0.10 -4.85 114.94 125.55 1mg3 s ASN 63 Ca 0.42 -1.50 0.37 0.00 0.21 0.00 0.00 52.86 52.36 1mg3 s ASN 63 Cb -0.20 -2.13 2.01 0.00 -0.55 0.00 0.00 41.25 40.38 1mg3 s ASN 63 CO 0.23 -0.67 2.17 1.55 -2.79 0.00 0.00 177.10 177.59 1mg3 h PRO 64 N 8.68 0.00 0.11 0.43 0.13 -1.89 0.37 132.00 139.84 1mg3 h PRO 64 Ca -0.27 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.85 1mg3 h PRO 64 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1mg3 h PRO 64 CO 0.88 0.00 -0.05 1.15 -0.23 0.00 0.00 178.00 179.75 1mg3 h THR 65 N 0.00 1.10 -0.24 1.56 2.02 -1.94 -3.35 112.91 112.06 1mg3 h THR 65 Ca 0.02 -0.96 0.00 0.00 0.77 0.00 0.00 66.41 66.24 1mg3 h THR 65 Cb 0.32 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 1mg3 h THR 65 CO -0.00 0.23 0.00 -0.90 0.37 0.00 0.00 175.52 175.21 1mg3 n ASP 66 N -4.95 2.60 0.00 4.18 5.68 -1.04 -4.98 116.55 118.04 1mg3 n ASP 66 Ca -0.09 -1.85 0.00 0.00 -0.50 0.00 0.00 54.79 52.36 1mg3 n ASP 66 Cb 0.25 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 1mg3 n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mg3 n GLY 67 N 0.49 0.10 3.97 6.12 0.00 0.13 -4.97 105.19 111.03 1mg3 n GLY 67 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 1mg3 n GLY 67 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mg3 s GLN 68 N -1.58 3.19 -0.10 1.61 -1.52 -1.22 -4.82 119.66 115.22 1mg3 s GLN 68 Ca 0.00 -0.77 0.03 0.00 -1.95 0.00 0.00 55.36 52.67 1mg3 s GLN 68 Cb 0.00 -2.75 -0.01 0.00 -0.22 0.00 0.00 33.01 30.03 1mg3 s GLN 68 CO 0.00 0.05 -0.20 -1.12 -0.25 0.00 0.00 175.29 173.78 1mg3 s SER 69 N -4.14 3.48 0.18 5.90 0.01 -1.26 0.01 113.70 117.88 1mg3 s SER 69 Ca 0.43 -0.44 0.11 0.00 1.31 0.00 0.00 55.95 57.36 1mg3 s SER 69 Cb -0.10 -1.35 -0.04 0.00 0.21 0.00 0.00 66.02 64.74 1mg3 s SER 69 CO 0.33 0.19 -0.22 -0.31 0.41 0.00 0.00 173.24 173.63 1mg3 s TYR 70 N 0.19 2.35 -0.25 2.43 1.51 -0.10 -0.01 117.35 123.47 1mg3 s TYR 70 Ca -0.12 -0.34 -0.20 0.00 -1.01 0.00 0.00 57.07 55.41 1mg3 s TYR 70 Cb -0.16 -1.18 -0.02 0.00 -0.11 0.00 0.00 41.96 40.49 1mg3 s TYR 70 CO 0.06 0.48 0.60 -1.17 -1.11 0.00 0.00 175.55 174.41 1mg3 s LEU 71 N -2.61 4.06 -0.18 -1.29 2.96 0.18 -0.58 118.68 121.22 1mg3 s LEU 71 Ca 0.20 0.66 -0.09 0.00 -0.22 0.00 0.00 54.13 54.69 1mg3 s LEU 71 Cb -0.08 -2.81 -0.05 0.00 0.50 0.00 0.00 46.19 43.75 1mg3 s LEU 71 CO 0.10 -0.34 0.12 -0.63 -1.32 0.00 0.00 176.35 174.28 1mg3 s ILE 72 N 2.43 5.33 -0.58 6.68 -1.09 0.10 -0.96 121.20 133.10 1mg3 s ILE 72 Ca 0.25 0.16 -0.12 0.00 -2.23 0.00 0.00 60.65 58.70 1mg3 s ILE 72 Cb -0.16 -3.41 0.15 0.00 -1.58 0.00 0.00 42.46 37.46 1mg3 s ILE 72 CO 0.09 0.47 0.49 0.00 -1.23 0.00 0.00 174.94 174.76 1mg3 s ALA 73 N 0.12 3.64 -1.17 9.38 0.00 -0.78 -2.21 121.76 130.73 1mg3 s ALA 73 Ca 0.09 -2.75 -0.21 0.00 0.00 0.00 0.00 51.96 49.09 1mg3 s ALA 73 Cb -0.11 -3.11 -0.05 0.00 0.00 0.00 0.00 23.12 19.85 1mg3 s ALA 73 CO -0.01 -2.04 1.90 0.66 0.00 0.00 0.00 175.76 176.28 1mg3 n TYR 74 N 4.74 3.16 -2.86 0.00 4.01 -1.26 -4.21 117.16 120.74 1mg3 n TYR 74 Ca -0.05 -2.00 -0.38 0.00 -0.16 0.00 0.00 57.90 55.32 1mg3 n TYR 74 Cb 0.41 -2.47 -0.06 0.00 -0.31 0.00 0.00 39.34 36.91 1mg3 n TYR 74 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1mg3 s ARG 75 N 5.38 4.56 0.15 -0.72 0.52 -1.25 -4.77 118.95 122.81 1mg3 s ARG 75 Ca 0.61 1.25 -0.03 0.00 -0.52 0.00 0.00 55.73 57.05 1mg3 s ARG 75 Cb 0.04 -2.94 -0.05 0.00 0.52 0.00 0.00 34.95 32.53 1mg3 s ARG 75 CO 0.10 0.37 0.35 -0.51 0.02 0.00 0.00 175.30 175.63 1mg3 s ASP 76 N -1.51 6.43 -0.24 0.23 1.01 -1.08 -2.02 116.67 119.50 1mg3 s ASP 76 Ca 0.46 0.47 -0.09 0.00 0.71 0.00 0.00 52.55 54.10 1mg3 s ASP 76 Cb -0.20 -2.04 -0.04 0.00 1.01 0.00 0.00 42.92 41.64 1mg3 s ASP 76 CO 0.25 0.04 0.13 0.00 0.21 0.00 0.00 175.17 175.80 1mg3 n GLY 79 N -1.08 0.77 3.08 0.00 0.00 -0.91 0.59 105.19 107.63 1mg3 n GLY 79 Ca -0.12 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 1mg3 n GLY 79 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mg3 s TYR 80 N -2.00 0.64 0.55 1.61 1.51 -1.26 -4.96 117.35 113.44 1mg3 s TYR 80 Ca 0.00 -0.69 -0.19 0.00 -1.01 0.00 0.00 57.07 55.18 1mg3 s TYR 80 Cb 0.00 -0.40 -0.06 0.00 -0.11 0.00 0.00 41.96 41.40 1mg3 s TYR 80 CO 0.00 -0.16 1.10 1.21 -1.11 0.00 0.00 175.55 176.59 1mg3 s ASN 81 N -2.13 5.81 -0.00 2.29 2.47 -1.26 -3.61 114.94 118.50 1mg3 s ASN 81 Ca -0.03 2.05 -0.40 0.00 0.42 0.00 0.00 52.86 54.91 1mg3 s ASN 81 Cb -0.03 -2.57 -0.19 0.00 -1.45 0.00 0.00 41.25 37.00 1mg3 s ASN 81 CO -0.03 -1.16 1.14 0.52 -3.72 0.00 0.00 177.10 173.85 1mg3 n VAL 82 N -1.43 0.00 -0.32 -5.21 0.31 -0.93 -4.61 118.33 106.14 1mg3 n VAL 82 Ca 0.11 -0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.49 1mg3 n VAL 82 Cb 0.52 -0.16 0.25 0.00 -0.91 0.00 0.00 33.84 33.54 1mg3 n VAL 82 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1mg3 h SER 83 N 3.35 0.90 0.00 4.52 4.64 -1.64 -3.46 113.55 121.87 1mg3 h SER 83 Ca -0.50 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1mg3 h SER 83 Cb 1.41 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1mg3 h SER 83 CO 0.68 0.54 0.00 0.61 -0.87 0.00 0.00 176.83 177.79 1mg3 n GLY 84 N -1.38 0.84 3.55 -0.77 0.00 -1.26 -5.01 105.19 101.16 1mg3 n GLY 84 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1mg3 n GLY 84 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mg3 s ARG 85 N -0.07 2.89 -0.86 1.61 1.81 -1.26 -4.78 118.95 118.29 1mg3 s ARG 85 Ca 0.00 -0.56 -0.04 0.00 -1.72 0.00 0.00 55.73 53.41 1mg3 s ARG 85 Cb 0.00 -2.62 -0.01 0.00 -0.45 0.00 0.00 34.95 31.87 1mg3 s ARG 85 CO 0.00 0.58 0.70 0.00 -0.68 0.00 0.00 175.30 175.90 1mg3 s PRO 87 N -4.22 4.35 -0.01 0.00 0.04 -1.26 -1.81 135.00 132.10 1mg3 s PRO 87 Ca 0.11 1.02 -0.13 0.00 0.04 0.00 0.00 61.00 62.05 1mg3 s PRO 87 Cb -0.03 -2.80 0.02 0.00 0.04 0.00 0.00 34.50 31.72 1mg3 s PRO 87 CO 0.81 0.33 0.27 0.00 0.04 0.00 0.00 177.00 178.45 1mg3 s LEU 89 N -1.41 -0.27 0.20 0.00 2.96 -1.25 -1.21 118.68 117.71 1mg3 s LEU 89 Ca -0.13 -0.56 0.11 0.00 -0.22 0.00 0.00 54.13 53.33 1mg3 s LEU 89 Cb -0.05 0.56 -0.04 0.00 0.50 0.00 0.00 46.19 47.15 1mg3 s LEU 89 CO 0.03 -0.37 -0.23 0.20 -1.32 0.00 0.00 176.35 174.67 1mg3 s ASN 90 N 2.38 3.37 -0.19 3.68 0.01 -0.21 -5.00 114.94 118.97 1mg3 s ASN 90 Ca 0.09 -0.89 0.22 0.00 -0.71 0.00 0.00 52.86 51.57 1mg3 s ASN 90 Cb -0.14 -0.25 0.46 0.00 0.41 0.00 0.00 41.25 41.73 1mg3 s ASN 90 CO -0.27 0.09 1.16 0.35 -1.51 0.00 0.00 177.10 176.91 1mg3 n THR 91 N 0.12 0.77 -1.64 1.60 -2.24 -1.16 -3.77 114.28 107.96 1mg3 n THR 91 Ca -0.11 -2.13 -0.43 0.00 -2.27 0.00 0.00 64.05 59.11 1mg3 n THR 91 Cb 0.57 1.17 -0.03 0.00 -2.10 0.00 0.00 70.33 69.94 1mg3 n THR 91 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1mg3 s GLU 92 N -2.31 3.31 -0.09 -0.78 0.41 -0.19 -1.28 118.70 117.77 1mg3 s GLU 92 Ca 0.26 2.09 0.00 0.00 -0.41 0.00 0.00 54.97 56.91 1mg3 s GLU 92 Cb 0.34 -4.33 0.00 0.00 -1.78 0.00 0.00 34.13 28.36 1mg3 s GLU 92 CO -0.08 -1.90 0.00 0.41 -0.49 0.00 0.00 175.26 173.20 1mg3 n GLY 93 N 5.53 0.43 3.68 -1.39 0.00 -1.26 -4.72 105.19 107.46 1mg3 n GLY 93 Ca 0.28 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1mg3 n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1mg3 s GLU 94 N -0.82 4.28 0.24 1.61 -6.30 -0.41 -4.97 118.70 112.33 1mg3 s GLU 94 Ca 0.00 1.86 0.06 0.00 -2.50 0.00 0.00 54.97 54.39 1mg3 s GLU 94 Cb 0.00 -3.65 -0.03 0.00 0.00 0.00 0.00 34.13 30.44 1mg3 s GLU 94 CO 0.00 -0.60 0.23 -0.51 0.02 0.00 0.00 175.26 174.40 1mg3 s LEU 95 N 2.77 3.94 1.05 2.70 1.02 -1.03 -5.01 118.68 124.11 1mg3 s LEU 95 Ca 0.61 -0.17 -0.13 0.00 0.02 0.00 0.00 54.13 54.46 1mg3 s LEU 95 Cb -0.28 -2.47 0.16 0.00 0.02 0.00 0.00 46.19 43.61 1mg3 s LEU 95 CO 0.23 -0.04 0.70 -2.65 0.02 0.00 0.00 176.35 174.61 1mg3 n PRO 96 N -1.18 -1.27 0.27 1.29 -0.02 -1.26 -3.89 135.00 128.93 1mg3 n PRO 96 Ca -0.08 -0.33 0.18 0.00 -2.02 0.00 0.00 63.50 61.25 1mg3 n PRO 96 Cb 0.57 -2.05 0.91 0.00 -0.02 0.00 0.00 33.50 32.91 1mg3 n PRO 96 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1mg3 h VAL 97 N -2.10 0.20 0.00 -1.45 3.04 -1.97 -0.59 116.25 113.39 1mg3 h VAL 97 Ca -0.51 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.18 1mg3 h VAL 97 Cb 1.31 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 31.40 1mg3 h VAL 97 CO 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.97 1mg3 n TYR 98 N -3.33 0.00 -2.95 3.17 0.18 -1.26 -2.60 117.16 110.36 1mg3 n TYR 98 Ca -0.00 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.58 1mg3 n TYR 98 Cb 0.30 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.24 1mg3 n TYR 98 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1mg3 n ARG 99 N -0.88 1.93 -0.34 -3.48 5.12 -0.23 -4.99 116.66 113.80 1mg3 n ARG 99 Ca 0.15 -3.92 0.19 0.00 -1.93 0.00 0.00 57.85 52.35 1mg3 n ARG 99 Cb 0.07 -1.85 0.37 0.00 -1.16 0.00 0.00 32.46 29.89 1mg3 n ARG 99 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1mg3 n PRO 100 N -0.01 -0.07 0.30 5.56 -0.04 -1.07 -1.21 135.00 138.45 1mg3 n PRO 100 Ca 0.26 1.46 0.08 0.00 -0.04 0.00 0.00 63.50 65.26 1mg3 n PRO 100 Cb 0.61 -2.39 0.45 0.00 -0.04 0.00 0.00 33.50 32.12 1mg3 n PRO 100 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1mg3 h GLU 101 N 0.00 0.00 0.00 0.54 9.09 -1.91 0.92 114.58 123.22 1mg3 h GLU 101 Ca 0.67 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.08 1mg3 h GLU 101 Cb 1.51 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.61 1mg3 h GLU 101 CO -0.89 0.00 -0.04 1.19 0.05 0.00 0.00 179.01 179.32 1mg3 n PHE 102 N -2.58 0.00 -3.36 2.06 3.72 -0.35 -2.33 117.46 114.63 1mg3 n PHE 102 Ca -0.01 -0.36 -0.38 0.00 -0.05 0.00 0.00 57.45 56.65 1mg3 n PHE 102 Cb 0.59 -0.05 -0.07 0.00 -0.94 0.00 0.00 39.48 39.02 1mg3 n PHE 102 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1mg3 s ALA 103 N -0.83 3.53 -0.20 4.37 0.00 0.32 -2.47 121.76 126.47 1mg3 s ALA 103 Ca 0.04 -0.36 0.15 0.00 0.00 0.00 0.00 51.96 51.79 1mg3 s ALA 103 Cb 0.03 -2.64 0.55 0.00 0.00 0.00 0.00 23.12 21.07 1mg3 s ALA 103 CO 0.00 -0.15 1.46 0.27 0.00 0.00 0.00 175.76 177.35 1mg3 n ASN 104 N 4.09 3.88 0.00 0.00 2.04 -1.26 -4.25 115.26 119.76 1mg3 n ASN 104 Ca -0.08 -3.11 0.11 0.00 -0.44 0.00 0.00 54.58 51.06 1mg3 n ASN 104 Cb 0.51 -0.57 -0.05 0.00 -2.53 0.00 0.00 39.78 37.14 1mg3 n ASN 104 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 1mg3 n ASP 105 N -0.51 0.77 -4.77 0.53 8.00 -1.26 -4.72 116.55 114.60 1mg3 n ASP 105 Ca 0.24 -0.68 -0.38 0.00 0.71 0.00 0.00 54.79 54.68 1mg3 n ASP 105 Cb 0.95 0.96 -0.05 0.00 -0.02 0.00 0.00 41.12 42.96 1mg3 n ASP 105 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1mg3 s ILE 106 N -3.08 3.84 -0.81 0.53 1.01 -1.26 -4.98 121.20 116.46 1mg3 s ILE 106 Ca 0.06 1.58 -0.23 0.00 0.00 0.00 0.00 60.65 62.06 1mg3 s ILE 106 Cb 0.16 -3.90 0.07 0.00 0.01 0.00 0.00 42.46 38.79 1mg3 s ILE 106 CO 0.84 0.17 1.19 -0.63 0.00 0.00 0.00 174.94 176.51 1mg3 s ILE 107 N -1.49 4.13 -1.31 2.92 -1.09 -1.26 -4.93 121.20 118.17 1mg3 s ILE 107 Ca 0.51 -0.45 -0.16 0.00 -2.23 0.00 0.00 60.65 58.31 1mg3 s ILE 107 Cb -0.24 -4.85 0.01 0.00 -1.58 0.00 0.00 42.46 35.80 1mg3 s ILE 107 CO 0.30 -1.69 2.06 0.79 -1.23 0.00 0.00 174.94 175.17 1mg3 n TRP 108 N 8.24 3.53 0.26 3.97 5.03 -1.26 -4.42 117.44 132.79 1mg3 n TRP 108 Ca 0.11 -2.71 0.03 0.00 3.03 0.00 0.00 57.50 57.96 1mg3 n TRP 108 Cb 0.48 -2.46 0.02 0.00 -1.03 0.00 0.00 31.31 28.32 1mg3 n TRP 108 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1mg3 n PHE 110 N 0.23 2.39 -0.12 0.00 3.72 -1.26 -1.99 117.46 120.43 1mg3 n PHE 110 Ca 0.03 0.41 0.00 0.00 -0.05 0.00 0.00 57.45 57.84 1mg3 n PHE 110 Cb 0.15 -2.49 0.00 0.00 -0.94 0.00 0.00 39.48 36.20 1mg3 n PHE 110 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1mg3 n GLY 111 N 1.86 1.73 3.76 1.37 0.00 -1.26 -2.01 105.19 110.63 1mg3 n GLY 111 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1mg3 n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mg3 s ALA 112 N -2.76 2.51 0.62 4.61 0.00 -0.84 -4.27 121.76 121.63 1mg3 s ALA 112 Ca 0.00 0.91 -0.19 0.00 0.00 0.00 0.00 51.96 52.68 1mg3 s ALA 112 Cb 0.00 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 1mg3 s ALA 112 CO 0.00 -1.18 1.25 -1.21 0.00 0.00 0.00 175.76 174.62 1mg3 s GLU 113 N -3.48 2.79 -1.81 0.00 8.01 -1.26 -2.64 118.70 120.31 1mg3 s GLU 113 Ca 0.75 1.94 0.00 0.00 0.01 0.00 0.00 54.97 57.67 1mg3 s GLU 113 Cb -0.28 -1.90 0.00 0.00 -4.31 0.00 0.00 34.13 27.64 1mg3 s GLU 113 CO 0.34 -1.38 0.00 -0.25 0.01 0.00 0.00 175.26 173.98 1mg3 n ASP 114 N -1.72 -5.27 -1.99 -0.19 10.43 -1.26 -2.66 116.55 113.90 1mg3 n ASP 114 Ca 0.15 0.42 -0.18 0.00 2.57 0.00 0.00 54.79 57.75 1mg3 n ASP 114 Cb 0.49 -4.27 -0.04 0.00 1.84 0.00 0.00 41.12 39.14 1mg3 n ASP 114 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1mg3 n ASP 115 N -0.98 -5.03 -4.66 -2.24 8.00 -1.08 -4.89 116.55 105.65 1mg3 n ASP 115 Ca -0.17 0.24 -0.47 0.00 0.71 0.00 0.00 54.79 55.10 1mg3 n ASP 115 Cb 0.60 -4.35 -0.04 0.00 -0.02 0.00 0.00 41.12 37.30 1mg3 n ASP 115 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mg3 n ALA 116 N -0.57 1.11 -0.36 2.24 0.00 -1.09 -4.87 120.51 116.98 1mg3 n ALA 116 Ca -0.20 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1mg3 n ALA 116 Cb 0.63 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1mg3 n ALA 116 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1mg3 n MET 117 N 3.60 0.97 -3.42 0.00 2.81 -1.26 -4.68 117.12 115.14 1mg3 n MET 117 Ca 0.18 -0.84 -0.38 0.00 -1.81 0.00 0.00 57.70 54.85 1mg3 n MET 117 Cb 0.28 -0.82 -0.06 0.00 -0.71 0.00 0.00 33.22 31.91 1mg3 n MET 117 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1mg3 s THR 118 N -0.40 4.93 0.03 2.03 -4.23 -1.26 -4.90 115.64 111.83 1mg3 s THR 118 Ca 0.00 0.93 -0.27 0.00 -1.18 0.00 0.00 61.69 61.17 1mg3 s THR 118 Cb 0.00 -3.77 -0.05 0.00 1.34 0.00 0.00 72.50 70.03 1mg3 s THR 118 CO 0.00 0.53 0.84 -0.47 -0.54 0.00 0.00 174.62 174.97 1mg3 s TYR 119 N -1.14 3.71 0.02 3.99 5.04 -1.26 -2.15 117.35 125.56 1mg3 s TYR 119 Ca 0.27 1.54 -0.01 0.00 -2.44 0.00 0.00 57.07 56.43 1mg3 s TYR 119 Cb -0.17 -2.92 -0.01 0.00 0.35 0.00 0.00 41.96 39.21 1mg3 s TYR 119 CO 0.16 0.17 -0.02 1.58 -1.34 0.00 0.00 175.55 176.10 1mg3 n HIS 120 N 3.19 0.00 -3.79 4.97 -0.00 -0.86 -2.19 115.22 116.54 1mg3 n HIS 120 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.69 1mg3 n HIS 120 Cb 0.50 -0.05 -0.01 0.00 -0.00 0.00 0.00 29.99 30.44 1mg3 n HIS 120 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1mg3 s THR 122 N -3.06 1.32 0.29 0.00 2.01 0.33 -0.43 115.64 116.10 1mg3 s THR 122 Ca 0.14 -0.85 0.06 0.00 0.31 0.00 0.00 61.69 61.35 1mg3 s THR 122 Cb -0.02 -1.12 -0.02 0.00 0.01 0.00 0.00 72.50 71.35 1mg3 s THR 122 CO 0.04 0.26 0.42 0.27 -0.69 0.00 0.00 174.62 174.92 1mg3 s ILE 123 N -0.55 4.59 -0.53 1.82 -4.36 -0.86 -2.85 121.20 118.48 1mg3 s ILE 123 Ca 0.06 -0.99 0.07 0.00 -0.26 0.00 0.00 60.65 59.52 1mg3 s ILE 123 Cb -0.07 -3.61 0.30 0.00 1.25 0.00 0.00 42.46 40.34 1mg3 s ILE 123 CO 0.00 -0.23 0.79 -1.20 0.24 0.00 0.00 174.94 174.54 1mg3 n SER 124 N -1.54 2.95 -4.81 4.36 7.64 -0.50 -3.95 113.62 117.77 1mg3 n SER 124 Ca -0.04 -3.34 -0.35 0.00 1.01 0.00 0.00 58.87 56.15 1mg3 n SER 124 Cb 0.58 -0.61 -0.07 0.00 -1.01 0.00 0.00 64.21 63.09 1mg3 n SER 124 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1mg3 s PRO 125 N -2.66 4.33 -0.08 1.43 0.04 -1.26 -4.84 135.00 131.97 1mg3 s PRO 125 Ca 0.43 1.13 -0.20 0.00 0.04 0.00 0.00 61.00 62.40 1mg3 s PRO 125 Cb 0.24 -2.47 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 1mg3 s PRO 125 CO -0.09 0.13 0.55 0.42 0.04 0.00 0.00 177.00 178.06 1mg3 s ILE 126 N -1.91 5.09 -0.49 0.56 1.01 -1.26 -1.87 121.20 122.31 1mg3 s ILE 126 Ca 0.56 1.13 0.05 0.00 0.00 0.00 0.00 60.65 62.38 1mg3 s ILE 126 Cb -0.13 -3.89 0.08 0.00 0.01 0.00 0.00 42.46 38.53 1mg3 s ILE 126 CO 0.18 0.34 0.87 1.33 0.00 0.00 0.00 174.94 177.65 1mg3 n VAL 127 N 3.43 0.48 0.00 2.92 0.24 -0.14 -4.95 118.33 120.31 1mg3 n VAL 127 Ca -0.06 -0.74 0.00 0.00 -2.04 0.00 0.00 64.34 61.50 1mg3 n VAL 127 Cb 0.51 0.81 0.00 0.00 -1.47 0.00 0.00 33.84 33.70 1mg3 n VAL 127 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1mg3 n GLY 128 N 0.11 1.37 3.87 7.63 0.00 -1.24 -4.96 105.19 111.97 1mg3 n GLY 128 Ca 0.04 -1.29 -0.31 0.00 0.00 0.00 0.00 46.02 44.45 1mg3 n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mg3 s LYS 129 N -1.94 3.85 0.00 1.61 1.02 -1.26 0.50 119.74 123.52 1mg3 s LYS 129 Ca 0.00 0.47 0.00 0.00 0.02 0.00 0.00 55.97 56.46 1mg3 s LYS 129 Cb 0.00 -2.47 0.00 0.00 -0.52 0.00 0.00 37.83 34.84 1mg3 s LYS 129 CO 0.00 0.12 0.00 0.00 -0.92 0.00 0.00 175.35 174.55 1mg3 n ALA 130 N -0.71 0.00 1.18 5.17 0.00 0.99 -4.57 120.51 122.57 1mg3 n ALA 130 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.59 1mg3 n ALA 130 Cb 0.53 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.24 1mg3 n ALA 130 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93