#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gmm n SER 5 N 0.00 0.00 -4.64 -2.13 2.88 -1.26 -2.50 113.62 105.97 1gmm n SER 5 Ca 0.00 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.19 1gmm n SER 5 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 1gmm n SER 5 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1gmm s LYS 6 N 0.00 4.00 -0.08 -1.46 2.20 -1.26 -1.65 119.74 121.49 1gmm s LYS 6 Ca 0.00 -0.32 0.02 0.00 -0.36 0.00 0.00 55.97 55.31 1gmm s LYS 6 Cb 0.00 -3.30 0.01 0.00 -1.51 0.00 0.00 37.83 33.03 1gmm s LYS 6 CO 0.00 0.22 -0.13 0.42 -0.36 0.00 0.00 175.35 175.50 1gmm s ILE 7 N 0.54 1.23 -0.09 5.43 1.01 0.23 -4.99 121.20 124.56 1gmm s ILE 7 Ca 0.05 -0.52 -0.26 0.00 0.00 0.00 0.00 60.65 59.91 1gmm s ILE 7 Cb -0.12 -1.12 -0.02 0.00 0.01 0.00 0.00 42.46 41.20 1gmm s ILE 7 CO 0.01 0.38 0.85 -1.61 0.00 0.00 0.00 174.94 174.57 1gmm s GLU 8 N 0.75 4.42 0.50 2.79 0.41 -1.26 -0.98 118.70 125.33 1gmm s GLU 8 Ca -0.13 1.12 0.27 0.00 -0.41 0.00 0.00 54.97 55.82 1gmm s GLU 8 Cb -0.16 -3.50 1.33 0.00 -1.78 0.00 0.00 34.13 30.02 1gmm s GLU 8 CO 0.03 -0.14 2.01 0.66 -0.49 0.00 0.00 175.26 177.33 1gmm h SER 9 N 7.00 0.00 0.80 -0.19 4.64 -1.75 -2.02 113.55 122.04 1gmm h SER 9 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1gmm h SER 9 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1gmm h SER 9 CO 0.79 0.14 0.00 1.05 -0.87 0.00 0.00 176.83 177.95 1gmm h GLU 10 N 0.00 0.00 -1.04 4.77 9.09 -1.84 -2.91 114.58 122.65 1gmm h GLU 10 Ca -0.00 0.00 -0.41 0.00 0.05 0.00 0.00 59.36 59.00 1gmm h GLU 10 Cb 0.44 0.00 -0.23 0.00 -1.65 0.00 0.00 28.75 27.31 1gmm h GLU 10 CO 0.02 0.00 0.52 0.39 0.05 0.00 0.00 179.01 179.99 1gmm n GLU 11 N -2.55 1.98 -0.77 1.06 1.02 -0.76 -4.97 120.64 115.65 1gmm n GLU 11 Ca 0.01 -2.27 -0.30 0.00 -0.02 0.00 0.00 57.16 54.58 1gmm n GLU 11 Cb 0.25 -1.89 0.18 0.00 -0.02 0.00 0.00 31.44 29.96 1gmm n GLU 11 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1gmm s TYR 12 N -2.52 1.71 -0.13 -0.32 1.13 -1.10 -4.95 117.35 111.18 1gmm s TYR 12 Ca 0.43 1.50 0.16 0.00 -1.41 0.00 0.00 57.07 57.76 1gmm s TYR 12 Cb 0.36 -3.22 -0.24 0.00 -1.10 0.00 0.00 41.96 37.77 1gmm s TYR 12 CO 0.07 -3.01 0.38 0.09 -2.51 0.00 0.00 175.55 170.57 1gmm n ASN 13 N -4.34 0.41 -3.48 -0.18 4.13 0.57 -5.02 115.26 107.35 1gmm n ASN 13 Ca 0.08 0.19 -0.09 0.00 1.68 0.00 0.00 54.58 56.45 1gmm n ASN 13 Cb 0.53 0.56 -0.01 0.00 -1.54 0.00 0.00 39.78 39.33 1gmm n ASN 13 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1gmm s SER 14 N -5.70 -0.04 0.04 6.41 0.15 -1.12 -5.02 113.70 108.42 1gmm s SER 14 Ca -0.07 -0.93 -0.28 0.00 0.70 0.00 0.00 55.95 55.37 1gmm s SER 14 Cb 0.07 0.75 0.09 0.00 -1.71 0.00 0.00 66.02 65.23 1gmm s SER 14 CO 0.83 -1.44 1.01 -1.48 1.20 0.00 0.00 173.24 173.36 1gmm s LEU 15 N -3.02 -0.21 -0.15 3.45 0.05 -1.26 -0.93 118.68 116.61 1gmm s LEU 15 Ca 0.16 -0.20 -0.02 0.00 0.05 0.00 0.00 54.13 54.13 1gmm s LEU 15 Cb -0.04 1.92 0.04 0.00 -2.05 0.00 0.00 46.19 46.06 1gmm s LEU 15 CO 0.10 -0.65 -0.00 -0.75 -0.55 0.00 0.00 176.35 174.49 1gmm s LYS 16 N -3.01 0.91 0.00 1.48 2.20 -0.56 -5.00 119.74 115.75 1gmm s LYS 16 Ca 0.10 -0.29 0.00 0.00 -0.36 0.00 0.00 55.97 55.42 1gmm s LYS 16 Cb -0.00 -1.73 0.00 0.00 -1.51 0.00 0.00 37.83 34.58 1gmm s LYS 16 CO -0.03 -0.47 0.00 0.45 -0.36 0.00 0.00 175.35 174.94 1gmm n SER 17 N 5.02 0.00 -0.22 1.43 2.88 -1.26 -2.19 113.62 119.28 1gmm n SER 17 Ca -0.09 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.48 1gmm n SER 17 Cb 0.48 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 64.01 1gmm n SER 17 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1gmm n SER 18 N 0.00 2.39 0.00 -3.46 3.41 -1.26 -4.72 113.62 109.98 1gmm n SER 18 Ca 0.00 -2.21 0.00 0.00 -0.26 0.00 0.00 58.87 56.40 1gmm n SER 18 Cb 0.00 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 1gmm n SER 18 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1gmm n THR 19 N -0.38 0.00 -1.54 6.66 -2.24 -1.26 -5.10 114.28 110.42 1gmm n THR 19 Ca 0.06 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.40 1gmm n THR 19 Cb 0.38 -0.25 -0.01 0.00 -2.10 0.00 0.00 70.33 68.35 1gmm n THR 19 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1gmm n ILE 20 N -0.99 2.00 -3.88 2.28 5.41 -0.79 -4.75 119.36 118.64 1gmm n ILE 20 Ca 0.00 -0.50 -0.09 0.00 1.00 0.00 0.00 62.75 63.16 1gmm n ILE 20 Cb 0.13 -0.79 -0.08 0.00 -0.71 0.00 0.00 39.64 38.19 1gmm n ILE 20 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1gmm s GLN 21 N -1.51 0.72 -0.12 0.38 -0.21 -0.96 -5.00 119.66 112.97 1gmm s GLN 21 Ca 0.60 -0.81 -0.26 0.00 0.02 0.00 0.00 55.36 54.92 1gmm s GLN 21 Cb -0.71 0.29 -0.02 0.00 1.00 0.00 0.00 33.01 33.57 1gmm s GLN 21 CO 0.59 -0.21 0.83 0.99 -2.12 0.00 0.00 175.29 175.37 1gmm s THR 22 N -3.13 4.91 0.41 -0.19 2.01 -1.26 -1.58 115.64 116.81 1gmm s THR 22 Ca -0.01 1.67 0.07 0.00 0.31 0.00 0.00 61.69 63.73 1gmm s THR 22 Cb 0.02 -4.15 -0.07 0.00 0.01 0.00 0.00 72.50 68.31 1gmm s THR 22 CO -0.07 0.10 0.06 0.27 -0.69 0.00 0.00 174.62 174.29 1gmm s ILE 23 N 1.67 2.11 -0.03 1.82 -4.36 0.37 -4.93 121.20 117.85 1gmm s ILE 23 Ca 0.40 -1.91 -0.18 0.00 -0.26 0.00 0.00 60.65 58.71 1gmm s ILE 23 Cb -0.17 -2.99 -0.05 0.00 1.25 0.00 0.00 42.46 40.49 1gmm s ILE 23 CO 0.16 -0.01 0.51 -0.83 0.24 0.00 0.00 174.94 175.02 1gmm s GLY 24 N -3.77 2.52 0.43 6.27 0.00 -1.26 -0.49 107.32 111.02 1gmm s GLY 24 Ca 0.37 -0.10 0.07 0.00 0.00 0.00 0.00 44.72 45.07 1gmm s GLY 24 CO 0.19 0.58 0.30 -0.51 0.00 0.00 0.00 173.10 173.66 1gmm s THR 25 N -0.25 2.36 0.68 0.90 -4.23 -0.07 -4.84 115.64 110.19 1gmm s THR 25 Ca 0.27 -1.51 -0.17 0.00 -1.18 0.00 0.00 61.69 59.10 1gmm s THR 25 Cb -0.17 -2.88 -0.03 0.00 1.34 0.00 0.00 72.50 70.77 1gmm s THR 25 CO 0.14 0.00 0.84 -1.20 -0.54 0.00 0.00 174.62 173.87 1gmm n SER 26 N -1.45 0.10 -2.96 3.99 7.64 -1.26 -2.77 113.62 116.91 1gmm n SER 26 Ca 0.01 0.70 -0.17 0.00 1.01 0.00 0.00 58.87 60.42 1gmm n SER 26 Cb 0.63 -1.34 0.07 0.00 -1.01 0.00 0.00 64.21 62.56 1gmm n SER 26 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1gmm n ASP 27 N -0.97 -4.01 0.00 6.43 8.00 -1.26 -2.89 116.55 121.86 1gmm n ASP 27 Ca 0.13 -0.46 0.00 0.00 0.71 0.00 0.00 54.79 55.17 1gmm n ASP 27 Cb 0.49 -4.16 0.00 0.00 -0.02 0.00 0.00 41.12 37.43 1gmm n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1gmm n GLY 28 N -1.45 0.06 3.84 0.44 0.00 -1.23 -4.95 105.19 101.90 1gmm n GLY 28 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 1gmm n GLY 28 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gmm s GLY 29 N -2.00 1.77 0.30 -0.02 0.00 -1.11 -4.87 107.32 101.38 1gmm s GLY 29 Ca 0.00 -1.28 0.06 0.00 0.00 0.00 0.00 44.72 43.51 1gmm s GLY 29 CO 0.00 -0.41 -0.04 -0.45 0.00 0.00 0.00 173.10 172.20 1gmm s SER 30 N -4.72 2.84 0.00 1.64 0.15 -1.26 -0.89 113.70 111.46 1gmm s SER 30 Ca 0.76 -1.23 0.00 0.00 0.70 0.00 0.00 55.95 56.18 1gmm s SER 30 Cb -0.03 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.09 1gmm s SER 30 CO 0.54 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 175.22 1gmm n GLY 31 N -0.63 0.85 3.38 9.45 0.00 0.36 -4.55 105.19 114.04 1gmm n GLY 31 Ca -0.05 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 44.81 1gmm n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gmm s ILE 32 N -2.26 2.79 0.03 -0.61 -1.09 -0.37 -0.48 121.20 119.20 1gmm s ILE 32 Ca 0.00 -0.79 0.01 0.00 -2.23 0.00 0.00 60.65 57.63 1gmm s ILE 32 Cb 0.00 -2.11 -0.00 0.00 -1.58 0.00 0.00 42.46 38.77 1gmm s ILE 32 CO 0.00 0.56 0.03 0.61 -1.23 0.00 0.00 174.94 174.91 1gmm n GLY 33 N 2.94 3.80 3.82 6.18 0.00 -0.61 -1.78 105.19 119.54 1gmm n GLY 33 Ca -0.18 -1.64 -0.24 0.00 0.00 0.00 0.00 46.02 43.96 1gmm n GLY 33 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gmm n TYR 34 N -0.05 -1.91 -3.43 1.61 4.02 -1.26 -2.26 117.16 113.88 1gmm n TYR 34 Ca 0.01 0.83 -0.38 0.00 -0.01 0.00 0.00 57.90 58.35 1gmm n TYR 34 Cb 0.05 -4.10 -0.06 0.00 -0.02 0.00 0.00 39.34 35.21 1gmm n TYR 34 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1gmm s ILE 35 N -3.66 4.93 0.10 -0.72 1.01 -1.26 -1.89 121.20 119.72 1gmm s ILE 35 Ca 0.15 0.92 0.06 0.00 0.00 0.00 0.00 60.65 61.78 1gmm s ILE 35 Cb -0.08 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 1gmm s ILE 35 CO 0.84 0.52 -0.15 -1.61 0.00 0.00 0.00 174.94 174.54 1gmm s GLU 36 N -1.23 0.99 -0.12 2.79 2.02 -1.26 -3.09 118.70 118.79 1gmm s GLU 36 Ca 0.27 -1.15 -0.41 0.00 0.02 0.00 0.00 54.97 53.71 1gmm s GLU 36 Cb -0.17 -0.98 -0.19 0.00 0.10 0.00 0.00 34.13 32.89 1gmm s GLU 36 CO 0.16 0.20 1.29 -1.13 0.02 0.00 0.00 175.26 175.80 1gmm n SER 37 N 0.84 0.74 0.00 -0.19 3.41 -1.26 -1.32 113.62 115.84 1gmm n SER 37 Ca -0.18 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.59 1gmm n SER 37 Cb 0.56 -0.97 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 1gmm n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gmm n GLY 38 N 2.47 2.76 3.70 5.00 0.00 0.47 -4.91 105.19 114.67 1gmm n GLY 38 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 1gmm n GLY 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gmm s ASP 39 N 0.11 3.37 -0.00 1.61 1.11 -0.43 -4.72 116.67 117.71 1gmm s ASP 39 Ca 0.00 2.16 -0.24 0.00 0.18 0.00 0.00 52.55 54.65 1gmm s ASP 39 Cb 0.00 -2.56 0.05 0.00 1.07 0.00 0.00 42.92 41.48 1gmm s ASP 39 CO 0.00 -2.81 0.54 -0.72 1.18 0.00 0.00 175.17 173.36 1gmm s TYR 40 N -2.58 -0.47 0.04 4.23 -0.85 -0.93 -1.29 117.35 115.51 1gmm s TYR 40 Ca 0.67 0.69 0.05 0.00 -0.52 0.00 0.00 57.07 57.96 1gmm s TYR 40 Cb -0.23 0.32 -0.03 0.00 0.38 0.00 0.00 41.96 42.39 1gmm s TYR 40 CO 0.56 -0.58 -0.11 -0.51 -1.52 0.00 0.00 175.55 173.39 1gmm s LEU 41 N -1.53 2.99 -0.11 -3.49 1.43 -0.42 -1.50 118.68 116.04 1gmm s LEU 41 Ca -0.09 -0.28 0.04 0.00 -1.03 0.00 0.00 54.13 52.76 1gmm s LEU 41 Cb -0.01 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.46 1gmm s LEU 41 CO 0.04 0.25 -0.23 -0.69 0.23 0.00 0.00 176.35 175.94 1gmm s VAL 42 N -1.04 2.06 -0.39 -1.59 1.01 -0.11 -1.31 120.40 119.03 1gmm s VAL 42 Ca 0.18 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 61.18 1gmm s VAL 42 Cb -0.11 -1.79 0.11 0.00 0.00 0.00 0.00 36.38 34.59 1gmm s VAL 42 CO 0.09 0.56 0.12 -0.36 0.00 0.00 0.00 175.10 175.50 1gmm s PHE 43 N 0.46 3.28 0.50 5.22 0.40 0.61 -0.31 117.98 128.14 1gmm s PHE 43 Ca -0.16 -2.87 -0.23 0.00 -0.60 0.00 0.00 56.93 53.07 1gmm s PHE 43 Cb -0.17 -2.70 -0.06 0.00 0.51 0.00 0.00 43.02 40.59 1gmm s PHE 43 CO 0.06 -0.88 1.39 -0.80 0.70 0.00 0.00 175.22 175.69 1gmm s ASN 44 N 0.66 5.54 -1.13 1.36 0.02 -1.26 -1.01 114.94 119.11 1gmm s ASN 44 Ca 0.13 2.83 -0.33 0.00 -1.02 0.00 0.00 52.86 54.47 1gmm s ASN 44 Cb -0.21 -2.64 0.05 0.00 0.02 0.00 0.00 41.25 38.46 1gmm s ASN 44 CO -0.08 -1.39 0.64 0.29 0.02 0.00 0.00 177.10 176.58 1gmm n LYS 45 N -0.66 -0.28 -2.94 -0.60 5.02 -1.21 -4.86 118.16 112.63 1gmm n LYS 45 Ca 0.08 0.04 -0.40 0.00 -2.02 0.00 0.00 58.31 56.01 1gmm n LYS 45 Cb 0.44 -2.22 -0.05 0.00 -0.02 0.00 0.00 35.03 33.17 1gmm n LYS 45 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1gmm s ILE 46 N -3.59 4.67 -0.43 -0.18 -1.09 0.31 -4.74 121.20 116.14 1gmm s ILE 46 Ca 0.45 1.71 -0.09 0.00 -2.23 0.00 0.00 60.65 60.49 1gmm s ILE 46 Cb -0.25 -4.15 0.09 0.00 -1.58 0.00 0.00 42.46 36.57 1gmm s ILE 46 CO 0.92 0.36 0.28 0.21 -1.23 0.00 0.00 174.94 175.48 1gmm s ASN 47 N -0.11 5.63 0.00 3.58 3.84 -1.26 0.06 114.94 126.68 1gmm s ASN 47 Ca 0.40 -1.64 0.25 0.00 0.21 0.00 0.00 52.86 52.08 1gmm s ASN 47 Cb -0.21 -1.98 1.39 0.00 -0.55 0.00 0.00 41.25 39.90 1gmm s ASN 47 CO 0.24 -0.58 1.85 0.49 -2.79 0.00 0.00 177.10 176.32 1gmm n PHE 48 N 4.89 0.00 0.00 0.43 3.01 0.18 -2.71 117.46 123.27 1gmm n PHE 48 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 1gmm n PHE 48 Cb 0.42 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 39.76 1gmm n PHE 48 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1gmm n GLY 49 N 0.69 3.44 0.27 1.37 0.00 -1.23 -1.35 105.19 108.37 1gmm n GLY 49 Ca 0.16 -0.05 0.18 0.00 0.00 0.00 0.00 46.02 46.31 1gmm n GLY 49 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1gmm h ASN 50 N 0.00 0.00 -3.63 1.61 2.35 -1.93 -0.25 115.58 113.74 1gmm h ASN 50 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1gmm h ASN 50 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1gmm h ASN 50 CO 0.00 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.39 1gmm n GLY 51 N -0.42 4.32 3.25 2.83 0.00 -0.46 -4.77 105.19 109.95 1gmm n GLY 51 Ca -0.00 -1.42 -0.13 0.00 0.00 0.00 0.00 46.02 44.47 1gmm n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gmm s ALA 52 N -2.00 -0.91 -0.00 4.61 0.00 -0.07 -4.71 121.76 118.68 1gmm s ALA 52 Ca 0.00 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.04 1gmm s ALA 52 Cb 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.49 1gmm s ALA 52 CO 0.00 -0.18 0.76 0.27 0.00 0.00 0.00 175.76 176.61 1gmm n ASN 53 N 3.03 1.02 -4.00 0.00 2.04 0.05 -1.34 115.26 116.08 1gmm n ASN 53 Ca -0.14 -1.52 -0.12 0.00 -0.44 0.00 0.00 54.58 52.36 1gmm n ASN 53 Cb 0.57 -0.00 -0.12 0.00 -2.53 0.00 0.00 39.78 37.70 1gmm n ASN 53 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 1gmm s SER 54 N -0.52 0.51 -0.07 0.53 0.15 -0.67 -1.94 113.70 111.69 1gmm s SER 54 Ca 0.00 -0.41 0.01 0.00 0.70 0.00 0.00 55.95 56.26 1gmm s SER 54 Cb 0.00 0.04 0.02 0.00 -1.71 0.00 0.00 66.02 64.37 1gmm s SER 54 CO 0.00 -0.18 -0.09 0.12 1.20 0.00 0.00 173.24 174.29 1gmm s PHE 55 N -1.07 1.25 -0.05 3.44 5.36 -0.26 -1.90 117.98 124.75 1gmm s PHE 55 Ca -0.09 -0.47 0.02 0.00 -0.96 0.00 0.00 56.93 55.43 1gmm s PHE 55 Cb -0.08 -0.98 0.01 0.00 -0.34 0.00 0.00 43.02 41.63 1gmm s PHE 55 CO -0.00 -0.29 -0.11 0.21 -1.46 0.00 0.00 175.22 173.56 1gmm s LYS 56 N 0.94 1.38 -0.01 10.12 2.20 0.12 -1.39 119.74 133.10 1gmm s LYS 56 Ca -0.10 -0.37 0.02 0.00 -0.36 0.00 0.00 55.97 55.16 1gmm s LYS 56 Cb -0.15 -1.20 -0.00 0.00 -1.51 0.00 0.00 37.83 34.97 1gmm s LYS 56 CO 0.01 0.07 -0.06 0.00 -0.36 0.00 0.00 175.35 175.00 1gmm s ALA 57 N 0.48 0.52 -0.45 3.13 0.00 -0.35 0.11 121.76 125.20 1gmm s ALA 57 Ca -0.10 -0.26 -0.21 0.00 0.00 0.00 0.00 51.96 51.39 1gmm s ALA 57 Cb -0.13 -0.14 0.03 0.00 0.00 0.00 0.00 23.12 22.88 1gmm s ALA 57 CO 0.02 0.12 0.68 0.50 0.00 0.00 0.00 175.76 177.08 1gmm s ARG 58 N -0.12 3.29 0.18 0.00 3.52 -0.08 -1.41 118.95 124.33 1gmm s ARG 58 Ca 0.02 -0.36 0.05 0.00 -0.13 0.00 0.00 55.73 55.30 1gmm s ARG 58 Cb -0.03 -3.96 -0.05 0.00 -1.56 0.00 0.00 34.95 29.35 1gmm s ARG 58 CO -0.00 -1.07 -0.08 0.14 -0.81 0.00 0.00 175.30 173.48 1gmm s VAL 59 N 2.93 1.20 0.00 7.11 -7.23 -0.40 -0.82 120.40 123.21 1gmm s VAL 59 Ca 0.24 -2.07 0.01 0.00 -1.81 0.00 0.00 61.98 58.35 1gmm s VAL 59 Cb -0.14 -2.01 -0.01 0.00 0.56 0.00 0.00 36.38 34.78 1gmm s VAL 59 CO 0.19 -0.61 -0.04 0.00 -0.31 0.00 0.00 175.10 174.33 1gmm s ALA 60 N -3.31 0.33 -0.18 1.32 0.00 0.02 -1.27 121.76 118.67 1gmm s ALA 60 Ca 0.21 -0.27 -0.09 0.00 0.00 0.00 0.00 51.96 51.81 1gmm s ALA 60 Cb 0.03 -0.05 0.07 0.00 0.00 0.00 0.00 23.12 23.17 1gmm s ALA 60 CO 0.04 0.05 0.42 0.45 0.00 0.00 0.00 175.76 176.71 1gmm s SER 61 N -0.38 -0.43 -0.17 0.00 0.15 -1.10 -0.75 113.70 111.03 1gmm s SER 61 Ca -0.01 0.94 0.17 0.00 0.70 0.00 0.00 55.95 57.74 1gmm s SER 61 Cb -0.03 0.97 0.43 0.00 -1.71 0.00 0.00 66.02 65.68 1gmm s SER 61 CO -0.00 -0.21 1.31 0.61 1.20 0.00 0.00 173.24 176.15 1gmm n GLY 62 N 4.65 4.49 3.79 9.45 0.00 -1.24 -0.81 105.19 125.53 1gmm n GLY 62 Ca -0.18 -1.11 -0.31 0.00 0.00 0.00 0.00 46.02 44.42 1gmm n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gmm s ALA 63 N -2.90 2.50 -2.30 4.61 0.00 -1.26 -4.83 121.76 117.57 1gmm s ALA 63 Ca 0.38 0.22 0.29 0.00 0.00 0.00 0.00 51.96 52.86 1gmm s ALA 63 Cb 0.32 -3.23 1.33 0.00 0.00 0.00 0.00 23.12 21.54 1gmm s ALA 63 CO 0.05 -1.41 1.90 -0.40 0.00 0.00 0.00 175.76 175.90 1gmm n ASP 64 N -3.13 0.98 -3.85 0.00 3.85 -1.26 -4.72 116.55 108.42 1gmm n ASP 64 Ca 0.08 -1.30 -0.11 0.00 -0.71 0.00 0.00 54.79 52.75 1gmm n ASP 64 Cb 0.53 -0.00 -0.09 0.00 -1.35 0.00 0.00 41.12 40.21 1gmm n ASP 64 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 1gmm s THR 65 N -2.02 0.09 0.65 2.12 -1.32 -1.26 -5.08 115.64 108.81 1gmm s THR 65 Ca 0.41 -0.71 -0.16 0.00 -1.21 0.00 0.00 61.69 60.01 1gmm s THR 65 Cb 0.21 -0.59 -0.01 0.00 -1.51 0.00 0.00 72.50 70.61 1gmm s THR 65 CO 0.35 -0.39 1.16 -2.16 -2.21 0.00 0.00 174.62 171.37 1gmm s PRO 66 N -1.67 2.75 -0.02 7.08 0.04 -1.26 -4.78 135.00 137.13 1gmm s PRO 66 Ca -0.12 1.60 0.07 0.00 0.04 0.00 0.00 61.00 62.59 1gmm s PRO 66 Cb -0.06 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 1gmm s PRO 66 CO 0.01 -1.33 -0.22 0.99 0.04 0.00 0.00 177.00 176.49 1gmm s THR 67 N -2.01 1.75 -0.04 1.26 2.01 -0.79 -4.93 115.64 112.89 1gmm s THR 67 Ca 0.72 -0.94 -0.01 0.00 0.31 0.00 0.00 61.69 61.77 1gmm s THR 67 Cb -0.25 -1.46 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 1gmm s THR 67 CO 0.38 0.49 0.05 0.20 -0.69 0.00 0.00 174.62 175.06 1gmm s ASN 68 N -0.45 5.52 -0.33 3.53 0.01 -1.26 0.27 114.94 122.23 1gmm s ASN 68 Ca 0.07 0.15 0.02 0.00 -0.71 0.00 0.00 52.86 52.39 1gmm s ASN 68 Cb -0.09 -1.57 0.09 0.00 0.41 0.00 0.00 41.25 40.08 1gmm s ASN 68 CO -0.00 0.32 0.03 -0.63 -1.51 0.00 0.00 177.10 175.31 1gmm s ILE 69 N -1.07 2.45 0.26 0.60 1.01 0.41 -1.86 121.20 122.99 1gmm s ILE 69 Ca 0.19 -2.08 -0.27 0.00 0.00 0.00 0.00 60.65 58.48 1gmm s ILE 69 Cb -0.12 -2.68 -0.09 0.00 0.01 0.00 0.00 42.46 39.58 1gmm s ILE 69 CO 0.09 -0.45 0.91 -1.10 0.00 0.00 0.00 174.94 174.38 1gmm s GLN 70 N 1.00 4.69 -0.30 2.79 -0.21 0.15 -1.10 119.66 126.68 1gmm s GLN 70 Ca 0.05 1.35 -0.04 0.00 0.02 0.00 0.00 55.36 56.74 1gmm s GLN 70 Cb -0.20 -3.09 0.04 0.00 1.00 0.00 0.00 33.01 30.77 1gmm s GLN 70 CO -0.06 0.44 0.03 -0.51 -2.12 0.00 0.00 175.29 173.06 1gmm s LEU 71 N -1.53 3.92 0.17 2.90 1.43 0.31 -1.35 118.68 124.53 1gmm s LEU 71 Ca 0.44 -1.12 0.11 0.00 -1.03 0.00 0.00 54.13 52.52 1gmm s LEU 71 Cb -0.22 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 1gmm s LEU 71 CO 0.28 -0.25 -0.23 -0.13 0.23 0.00 0.00 176.35 176.24 1gmm s ARG 72 N 1.33 1.43 0.04 1.70 0.52 -0.60 -1.05 118.95 122.32 1gmm s ARG 72 Ca -0.03 -1.45 0.05 0.00 -0.52 0.00 0.00 55.73 53.78 1gmm s ARG 72 Cb -0.19 -1.75 -0.04 0.00 0.52 0.00 0.00 34.95 33.50 1gmm s ARG 72 CO -0.00 0.38 -0.09 -0.51 0.02 0.00 0.00 175.30 175.11 1gmm s LEU 73 N -2.51 3.07 0.00 2.53 1.43 -0.35 -1.10 118.68 121.75 1gmm s LEU 73 Ca 0.18 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1gmm s LEU 73 Cb -0.08 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.34 1gmm s LEU 73 CO 0.08 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.52 1gmm n GLY 74 N 1.26 1.64 3.54 -3.19 0.00 -0.24 -2.94 105.19 105.26 1gmm n GLY 74 Ca -0.15 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 1gmm n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gmm s SER 75 N 0.00 -0.06 0.66 1.61 1.04 -1.26 -4.87 113.70 110.82 1gmm s SER 75 Ca 0.00 -0.98 0.35 0.00 0.48 0.00 0.00 55.95 55.80 1gmm s SER 75 Cb 0.00 0.56 1.88 0.00 0.10 0.00 0.00 66.02 68.56 1gmm s SER 75 CO 0.00 -1.10 2.07 -0.65 0.98 0.00 0.00 173.24 174.54 1gmm h PRO 76 N 2.30 0.00 -0.10 4.02 0.11 -1.94 0.42 132.00 136.81 1gmm h PRO 76 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1gmm h PRO 76 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1gmm h PRO 76 CO 0.38 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.42 1gmm n THR 77 N -2.99 0.66 -0.26 -1.15 -2.24 -1.26 -5.00 114.28 102.04 1gmm n THR 77 Ca -0.02 -0.83 -0.21 0.00 -2.27 0.00 0.00 64.05 60.71 1gmm n THR 77 Cb 0.29 0.70 0.21 0.00 -2.10 0.00 0.00 70.33 69.43 1gmm n THR 77 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gmm n GLY 78 N 0.06 -3.27 3.67 3.38 0.00 0.15 -4.83 105.19 104.35 1gmm n GLY 78 Ca 0.04 -1.06 -0.48 0.00 0.00 0.00 0.00 46.02 44.53 1gmm n GLY 78 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1gmm n THR 79 N -4.98 0.27 -2.84 2.61 5.66 -1.15 -4.45 114.28 109.39 1gmm n THR 79 Ca 0.10 -0.05 -0.43 0.00 -3.05 0.00 0.00 64.05 60.62 1gmm n THR 79 Cb 0.42 -1.63 -0.04 0.00 -1.55 0.00 0.00 70.33 67.53 1gmm n THR 79 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1gmm s LEU 80 N 2.36 4.06 0.00 1.09 0.20 -1.26 -1.21 118.68 123.92 1gmm s LEU 80 Ca 0.86 -0.03 0.23 0.00 0.69 0.00 0.00 54.13 55.88 1gmm s LEU 80 Cb -0.72 -3.07 0.11 0.00 -0.43 0.00 0.00 46.19 42.08 1gmm s LEU 80 CO 0.45 -1.08 1.14 2.30 -0.29 0.00 0.00 176.35 178.87 1gmm n ILE 81 N 6.33 0.00 0.00 6.68 -5.35 -0.22 -4.95 119.36 121.85 1gmm n ILE 81 Ca 0.05 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1gmm n ILE 81 Cb 0.48 0.76 0.00 0.00 -1.74 0.00 0.00 39.64 39.14 1gmm n ILE 81 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1gmm n GLY 82 N 1.47 1.19 2.80 3.28 0.00 -1.23 -1.35 105.19 111.36 1gmm n GLY 82 Ca 0.06 -0.83 -0.17 0.00 0.00 0.00 0.00 46.02 45.08 1gmm n GLY 82 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gmm s THR 83 N -2.00 -0.19 -0.29 2.61 2.01 -1.26 -0.53 115.64 115.99 1gmm s THR 83 Ca 0.00 0.35 -0.13 0.00 0.31 0.00 0.00 61.69 62.22 1gmm s THR 83 Cb 0.00 -0.24 -0.04 0.00 0.01 0.00 0.00 72.50 72.23 1gmm s THR 83 CO 0.00 0.15 0.28 -0.22 -0.69 0.00 0.00 174.62 174.13 1gmm s LEU 84 N 2.09 4.13 -0.18 4.42 2.96 -0.25 -4.89 118.68 126.95 1gmm s LEU 84 Ca 0.02 0.02 -0.18 0.00 -0.22 0.00 0.00 54.13 53.76 1gmm s LEU 84 Cb -0.12 -2.25 -0.03 0.00 0.50 0.00 0.00 46.19 44.28 1gmm s LEU 84 CO -0.05 -0.15 0.50 -0.89 -1.32 0.00 0.00 176.35 174.44 1gmm s THR 85 N 1.89 5.13 -0.42 3.68 2.01 -1.26 -0.45 115.64 126.23 1gmm s THR 85 Ca 0.10 0.93 -0.06 0.00 0.31 0.00 0.00 61.69 62.97 1gmm s THR 85 Cb -0.16 -3.83 0.10 0.00 0.01 0.00 0.00 72.50 68.62 1gmm s THR 85 CO 0.11 0.22 0.23 -0.69 -0.69 0.00 0.00 174.62 173.80 1gmm s VAL 86 N 1.38 3.71 0.68 3.82 1.01 0.14 -4.97 120.40 126.17 1gmm s VAL 86 Ca 0.24 -1.78 -0.11 0.00 0.00 0.00 0.00 61.98 60.33 1gmm s VAL 86 Cb -0.15 -3.41 -0.00 0.00 0.00 0.00 0.00 36.38 32.81 1gmm s VAL 86 CO 0.10 -0.62 1.06 0.00 0.00 0.00 0.00 175.10 175.63 1gmm s ALA 87 N 1.27 2.79 0.36 5.51 0.00 -1.26 -1.89 121.76 128.54 1gmm s ALA 87 Ca 0.05 -0.01 -0.26 0.00 0.00 0.00 0.00 51.96 51.74 1gmm s ALA 87 Cb -0.23 -3.13 -0.12 0.00 0.00 0.00 0.00 23.12 19.63 1gmm s ALA 87 CO -0.02 -1.09 1.07 0.45 0.00 0.00 0.00 175.76 176.18 1gmm n SER 88 N -3.03 1.62 -0.80 0.00 2.88 -1.26 -4.78 113.62 108.25 1gmm n SER 88 Ca 0.07 1.12 0.07 0.00 -1.33 0.00 0.00 58.87 58.80 1gmm n SER 88 Cb 0.54 -1.36 0.21 0.00 -0.75 0.00 0.00 64.21 62.85 1gmm n SER 88 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1gmm n THR 89 N -0.08 1.62 -0.44 2.46 -2.24 0.01 -4.95 114.28 110.66 1gmm n THR 89 Ca 0.08 -1.40 0.00 0.00 -2.27 0.00 0.00 64.05 60.46 1gmm n THR 89 Cb 0.36 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 1gmm n THR 89 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gmm n GLY 90 N 0.08 1.13 0.00 3.38 0.00 -1.17 -4.76 105.19 103.85 1gmm n GLY 90 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1gmm n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gmm n GLY 91 N -2.00 1.66 0.01 -0.02 0.00 -1.09 -4.89 105.19 98.86 1gmm n GLY 91 Ca 0.00 -0.69 0.09 0.00 0.00 0.00 0.00 46.02 45.42 1gmm n GLY 91 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1gmm n TRP 92 N -0.39 0.08 -0.63 1.61 7.02 -1.26 -2.51 117.44 121.36 1gmm n TRP 92 Ca 0.00 0.03 0.06 0.00 -1.02 0.00 0.00 57.50 56.57 1gmm n TRP 92 Cb 0.00 -0.54 0.10 0.00 -2.42 0.00 0.00 31.31 28.44 1gmm n TRP 92 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1gmm n ASN 93 N -1.57 2.37 -4.34 -0.99 4.13 -1.26 -4.71 115.26 108.89 1gmm n ASN 93 Ca 0.04 -2.63 -0.45 0.00 1.68 0.00 0.00 54.58 53.21 1gmm n ASN 93 Cb 0.23 -0.27 -0.00 0.00 -1.54 0.00 0.00 39.78 38.19 1gmm n ASN 93 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1gmm s ASN 94 N -2.03 7.20 0.18 6.41 0.01 -1.04 -4.87 114.94 120.80 1gmm s ASN 94 Ca 0.21 -3.39 -0.26 0.00 -0.71 0.00 0.00 52.86 48.71 1gmm s ASN 94 Cb 0.18 -2.21 -0.08 0.00 0.41 0.00 0.00 41.25 39.54 1gmm s ASN 94 CO 0.03 -0.36 0.80 -0.31 -1.51 0.00 0.00 177.10 175.76 1gmm s TYR 95 N -0.90 3.91 0.10 2.20 1.51 -1.26 -4.42 117.35 118.48 1gmm s TYR 95 Ca 0.28 1.67 -0.13 0.00 -1.01 0.00 0.00 57.07 57.89 1gmm s TYR 95 Cb -0.10 -2.80 0.02 0.00 -0.11 0.00 0.00 41.96 38.97 1gmm s TYR 95 CO -0.08 0.49 0.31 -1.83 -1.11 0.00 0.00 175.55 173.33 1gmm s GLU 96 N -1.21 0.94 -0.19 -0.62 -1.05 -0.40 -4.94 118.70 111.23 1gmm s GLU 96 Ca 0.37 -0.76 -0.19 0.00 -0.15 0.00 0.00 54.97 54.24 1gmm s GLU 96 Cb -0.23 0.40 -0.03 0.00 -0.44 0.00 0.00 34.13 33.83 1gmm s GLU 96 CO 0.27 -0.33 0.56 -1.21 0.95 0.00 0.00 175.26 175.50 1gmm s GLU 97 N -3.58 4.21 -0.02 -4.83 2.02 -1.26 -1.27 118.70 113.96 1gmm s GLU 97 Ca 0.02 0.49 0.08 0.00 0.02 0.00 0.00 54.97 55.58 1gmm s GLU 97 Cb 0.02 -3.56 -0.02 0.00 0.10 0.00 0.00 34.13 30.67 1gmm s GLU 97 CO -0.10 -0.17 -0.25 0.15 0.02 0.00 0.00 175.26 174.91 1gmm s LYS 98 N 1.68 2.03 0.26 1.61 1.02 -0.50 -4.93 119.74 120.91 1gmm s LYS 98 Ca 0.26 -0.90 0.05 0.00 0.02 0.00 0.00 55.97 55.39 1gmm s LYS 98 Cb -0.16 -1.97 -0.06 0.00 -0.52 0.00 0.00 37.83 35.13 1gmm s LYS 98 CO 0.10 0.54 -0.02 -1.54 -0.92 0.00 0.00 175.35 173.51 1gmm s SER 99 N -0.61 2.30 0.11 2.83 1.04 -1.26 -1.20 113.70 116.90 1gmm s SER 99 Ca 0.10 -1.22 -0.22 0.00 0.48 0.00 0.00 55.95 55.08 1gmm s SER 99 Cb -0.10 -0.08 0.06 0.00 0.10 0.00 0.00 66.02 66.00 1gmm s SER 99 CO -0.01 -0.45 0.55 0.00 0.98 0.00 0.00 173.24 174.31 1gmm s SER 101 N -2.42 5.93 0.05 0.00 1.04 -1.26 -1.10 113.70 115.94 1gmm s SER 101 Ca -0.01 0.83 -0.00 0.00 0.48 0.00 0.00 55.95 57.24 1gmm s SER 101 Cb -0.00 -1.98 -0.04 0.00 0.10 0.00 0.00 66.02 64.10 1gmm s SER 101 CO -0.08 -0.82 -0.04 0.27 0.98 0.00 0.00 173.24 173.55 1gmm s ILE 102 N -2.87 0.28 0.38 -1.02 -4.36 -0.82 -4.64 121.20 108.15 1gmm s ILE 102 Ca 0.51 -1.66 -0.28 0.00 -0.26 0.00 0.00 60.65 58.96 1gmm s ILE 102 Cb -0.10 -1.31 -0.10 0.00 1.25 0.00 0.00 42.46 42.19 1gmm s ILE 102 CO 0.45 -0.88 1.45 0.42 0.24 0.00 0.00 174.94 176.62 1gmm s THR 103 N -3.39 2.17 -0.28 8.37 -4.23 -0.46 -4.59 115.64 113.23 1gmm s THR 103 Ca 0.03 0.17 -0.35 0.00 -1.18 0.00 0.00 61.69 60.36 1gmm s THR 103 Cb 0.04 -3.10 -0.11 0.00 1.34 0.00 0.00 72.50 70.66 1gmm s THR 103 CO -0.07 0.04 2.08 -3.20 -0.54 0.00 0.00 174.62 172.93 1gmm n ASN 104 N 0.42 2.52 -4.44 3.99 5.15 -1.26 -4.74 115.26 116.89 1gmm n ASN 104 Ca 0.01 0.57 -0.33 0.00 -0.60 0.00 0.00 54.58 54.24 1gmm n ASN 104 Cb 0.40 -1.30 -0.13 0.00 -0.53 0.00 0.00 39.78 38.22 1gmm n ASN 104 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1gmm s THR 105 N 6.38 3.13 0.24 -0.44 2.01 -0.45 -4.91 115.64 121.61 1gmm s THR 105 Ca 1.04 -0.67 0.03 0.00 0.31 0.00 0.00 61.69 62.41 1gmm s THR 105 Cb -0.80 -2.28 -0.05 0.00 0.01 0.00 0.00 72.50 69.38 1gmm s THR 105 CO 0.50 0.56 0.01 0.42 -0.69 0.00 0.00 174.62 175.42 1gmm s THR 106 N -0.23 0.98 0.00 -0.82 -4.23 -1.26 -0.89 115.64 109.19 1gmm s THR 106 Ca 0.01 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 1gmm s THR 106 Cb -0.13 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.30 1gmm s THR 106 CO 0.03 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 1gmm n GLY 107 N -0.44 -1.65 3.81 3.99 0.00 -0.11 -4.74 105.19 106.06 1gmm n GLY 107 Ca -0.04 -1.27 -0.37 0.00 0.00 0.00 0.00 46.02 44.34 1gmm n GLY 107 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1gmm s GLN 108 N 0.00 3.88 0.11 1.61 0.74 -1.26 0.52 119.66 125.26 1gmm s GLN 108 Ca 0.00 0.05 -0.13 0.00 0.05 0.00 0.00 55.36 55.33 1gmm s GLN 108 Cb 0.00 -3.29 0.02 0.00 1.10 0.00 0.00 33.01 30.84 1gmm s GLN 108 CO 0.00 0.55 0.31 -1.01 -0.55 0.00 0.00 175.29 174.58 1gmm s HIS 109 N -0.44 -0.05 -0.21 1.67 3.76 0.11 -4.91 115.29 115.22 1gmm s HIS 109 Ca 0.17 -0.31 -0.18 0.00 -0.15 0.00 0.00 55.06 54.58 1gmm s HIS 109 Cb -0.13 0.12 -0.03 0.00 1.11 0.00 0.00 32.58 33.65 1gmm s HIS 109 CO 0.05 -0.63 0.51 -0.51 -0.85 0.00 0.00 174.74 173.31 1gmm s ASP 110 N -2.82 6.54 -0.13 1.40 1.01 -1.26 0.11 116.67 121.52 1gmm s ASP 110 Ca 0.04 0.65 -0.13 0.00 0.71 0.00 0.00 52.55 53.81 1gmm s ASP 110 Cb 0.03 -2.29 -0.05 0.00 1.01 0.00 0.00 42.92 41.63 1gmm s ASP 110 CO -0.12 -0.19 0.29 -0.22 0.21 0.00 0.00 175.17 175.15 1gmm s LEU 111 N 1.72 4.29 -0.07 1.23 2.96 -0.18 -1.08 118.68 127.54 1gmm s LEU 111 Ca 0.23 0.57 0.05 0.00 -0.22 0.00 0.00 54.13 54.77 1gmm s LEU 111 Cb -0.15 -2.37 -0.01 0.00 0.50 0.00 0.00 46.19 44.16 1gmm s LEU 111 CO 0.09 0.17 -0.24 -0.31 -1.32 0.00 0.00 176.35 174.74 1gmm s TYR 112 N 0.08 2.48 -0.26 5.38 1.51 -0.25 -0.28 117.35 126.01 1gmm s TYR 112 Ca 0.17 -0.82 -0.02 0.00 -1.01 0.00 0.00 57.07 55.40 1gmm s TYR 112 Cb -0.13 -1.64 0.03 0.00 -0.11 0.00 0.00 41.96 40.11 1gmm s TYR 112 CO 0.05 -0.28 -0.05 -0.51 -1.11 0.00 0.00 175.55 173.66 1gmm s LEU 113 N -0.01 3.33 -0.20 -1.29 1.43 -0.43 -1.56 118.68 119.95 1gmm s LEU 113 Ca -0.08 -0.93 -0.06 0.00 -1.03 0.00 0.00 54.13 52.02 1gmm s LEU 113 Cb -0.15 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 1gmm s LEU 113 CO 0.05 -0.15 0.04 -0.69 0.23 0.00 0.00 176.35 175.83 1gmm s VAL 114 N 1.32 4.38 -0.07 -1.59 1.01 -0.45 -1.30 120.40 123.69 1gmm s VAL 114 Ca -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 61.98 61.76 1gmm s VAL 114 Cb -0.17 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 1gmm s VAL 114 CO -0.04 0.43 0.11 -0.36 0.00 0.00 0.00 175.10 175.25 1gmm s PHE 115 N 0.77 3.46 -1.69 5.22 0.40 -0.41 -0.67 117.98 125.05 1gmm s PHE 115 Ca 0.02 0.38 0.25 0.00 -0.60 0.00 0.00 56.93 56.98 1gmm s PHE 115 Cb -0.14 -1.85 0.46 0.00 0.51 0.00 0.00 43.02 42.00 1gmm s PHE 115 CO 0.02 0.64 1.38 -1.13 0.70 0.00 0.00 175.22 176.83 1gmm n SER 116 N 1.65 1.23 0.00 1.36 3.41 -0.78 -0.39 113.62 120.10 1gmm n SER 116 Ca -0.17 -0.99 0.00 0.00 -0.26 0.00 0.00 58.87 57.45 1gmm n SER 116 Cb 0.54 0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.78 1gmm n SER 116 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gmm n GLY 117 N 1.39 -1.07 3.77 5.00 0.00 -1.26 -4.16 105.19 108.85 1gmm n GLY 117 Ca 0.10 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.94 1gmm n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gmm s PRO 118 N -0.20 4.24 -0.22 1.61 0.04 -1.18 -4.41 135.00 134.88 1gmm s PRO 118 Ca 0.00 1.94 -0.31 0.00 0.04 0.00 0.00 61.00 62.67 1gmm s PRO 118 Cb 0.00 -2.88 0.16 0.00 0.04 0.00 0.00 34.50 31.82 1gmm s PRO 118 CO 0.00 -0.19 1.19 0.54 0.04 0.00 0.00 177.00 178.58 1gmm s VAL 119 N -1.29 0.00 -0.10 -0.36 0.11 -1.26 -4.74 120.40 112.75 1gmm s VAL 119 Ca 0.53 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.56 1gmm s VAL 119 Cb -0.33 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.49 1gmm s VAL 119 CO 0.43 0.00 -0.04 0.20 -3.33 0.00 0.00 175.10 172.36 1gmm s ASN 120 N -1.32 4.81 -0.05 3.54 0.01 0.08 -4.47 114.94 117.53 1gmm s ASN 120 Ca 0.05 -0.03 0.01 0.00 -0.71 0.00 0.00 52.86 52.18 1gmm s ASN 120 Cb -0.01 -1.46 0.02 0.00 0.41 0.00 0.00 41.25 40.21 1gmm s ASN 120 CO -0.04 0.29 -0.04 -0.51 -1.51 0.00 0.00 177.10 175.29 1gmm s ILE 121 N -0.38 0.58 -0.13 0.60 2.07 -0.73 -0.80 121.20 122.40 1gmm s ILE 121 Ca 0.06 -0.12 -0.08 0.00 -1.41 0.00 0.00 60.65 59.10 1gmm s ILE 121 Cb -0.12 -0.62 -0.03 0.00 0.13 0.00 0.00 42.46 41.82 1gmm s ILE 121 CO 0.02 0.25 -0.15 -0.78 -1.91 0.00 0.00 174.94 172.37 1gmm h ASP 122 N 7.39 0.00 -5.07 4.50 1.82 -1.25 -0.98 116.42 122.82 1gmm h ASP 122 Ca -0.34 0.00 0.02 0.00 -0.39 0.00 0.00 57.03 56.32 1gmm h ASP 122 Cb 1.15 0.00 -0.07 0.00 0.68 0.00 0.00 39.33 41.09 1gmm h ASP 122 CO 0.44 0.69 0.12 -0.72 -1.61 0.00 0.00 179.24 178.16 1gmm s TYR 123 N -2.11 -0.07 0.05 0.28 -0.85 -1.25 -2.30 117.35 111.09 1gmm s TYR 123 Ca -0.12 -0.33 -0.02 0.00 -0.52 0.00 0.00 57.07 56.07 1gmm s TYR 123 Cb 0.02 0.54 -0.03 0.00 0.38 0.00 0.00 41.96 42.87 1gmm s TYR 123 CO 0.19 -1.11 0.01 -0.59 -1.52 0.00 0.00 175.55 172.52 1gmm s PHE 124 N -3.93 0.38 0.02 -3.49 -0.12 -0.15 -0.90 117.98 109.79 1gmm s PHE 124 Ca 0.13 -0.82 0.02 0.00 -0.05 0.00 0.00 56.93 56.21 1gmm s PHE 124 Cb -0.04 -0.28 -0.01 0.00 -0.63 0.00 0.00 43.02 42.06 1gmm s PHE 124 CO 0.05 -0.36 -0.07 0.42 -0.05 0.00 0.00 175.22 175.21 1gmm s ILE 125 N -3.21 0.55 -0.15 -4.49 1.01 0.29 -0.60 121.20 114.60 1gmm s ILE 125 Ca 0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 60.65 60.05 1gmm s ILE 125 Cb 0.03 -0.52 -0.01 0.00 0.01 0.00 0.00 42.46 41.96 1gmm s ILE 125 CO -0.07 -0.05 -0.12 -0.36 0.00 0.00 0.00 174.94 174.33 1gmm s PHE 126 N -0.62 2.84 0.39 3.97 0.08 -0.66 -0.70 117.98 123.28 1gmm s PHE 126 Ca -0.02 -0.78 0.05 0.00 0.12 0.00 0.00 56.93 56.31 1gmm s PHE 126 Cb -0.05 -1.90 -0.02 0.00 -0.57 0.00 0.00 43.02 40.48 1gmm s PHE 126 CO 0.00 -0.32 0.20 -0.51 -0.10 0.00 0.00 175.22 174.49 1gmm s ASP 127 N 0.64 2.46 -0.52 1.36 -0.00 -0.80 -4.34 116.67 115.47 1gmm s ASP 127 Ca -0.07 -1.75 0.03 0.00 -0.00 0.00 0.00 52.55 50.77 1gmm s ASP 127 Cb -0.15 0.59 0.14 0.00 -0.00 0.00 0.00 42.92 43.50 1gmm s ASP 127 CO 0.03 -1.02 0.30 -0.44 -0.00 0.00 0.00 175.17 174.04 1gmm s SER 128 N -3.54 3.97 0.00 0.27 0.01 -1.26 -0.77 113.70 112.39 1gmm s SER 128 Ca 0.29 -3.03 0.10 0.00 1.31 0.00 0.00 55.95 54.62 1gmm s SER 128 Cb 0.02 -1.33 0.62 0.00 0.21 0.00 0.00 66.02 65.53 1gmm s SER 128 CO 0.20 -0.21 1.06 0.59 0.41 0.00 0.00 173.24 175.29