#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2amy n GLY 5 N 0.00 0.86 3.76 -1.23 0.00 -1.26 -4.40 105.19 102.93 2amy n GLY 5 Ca 0.00 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 2amy n GLY 5 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2amy s PRO 6 N 0.00 4.25 0.11 1.61 0.02 -1.26 -4.89 135.00 134.83 2amy s PRO 6 Ca 0.00 2.37 -0.04 0.00 0.02 0.00 0.00 61.00 63.34 2amy s PRO 6 Cb 0.00 -3.05 -0.03 0.00 0.02 0.00 0.00 34.50 31.45 2amy s PRO 6 CO 0.00 -0.38 0.10 0.00 -0.33 0.00 0.00 177.00 176.39 2amy s ALA 7 N -0.74 0.37 -0.03 -1.55 0.00 -1.26 -0.19 121.76 118.35 2amy s ALA 7 Ca 0.54 -1.11 0.04 0.00 0.00 0.00 0.00 51.96 51.43 2amy s ALA 7 Cb -0.43 0.62 -0.00 0.00 0.00 0.00 0.00 23.12 23.30 2amy s ALA 7 CO 0.53 -0.49 -0.14 -1.17 0.00 0.00 0.00 175.76 174.49 2amy s LEU 8 N -2.96 1.93 -0.25 0.00 2.96 -0.83 -2.86 118.68 116.68 2amy s LEU 8 Ca 0.14 -0.27 -0.09 0.00 -0.22 0.00 0.00 54.13 53.69 2amy s LEU 8 Cb 0.06 -0.77 -0.04 0.00 0.50 0.00 0.00 46.19 45.95 2amy s LEU 8 CO -0.05 0.14 0.12 0.00 -1.32 0.00 0.00 176.35 175.24 2amy s LEU 10 N 1.36 3.05 -0.02 0.00 1.43 0.71 -0.09 118.68 125.11 2amy s LEU 10 Ca 0.06 -0.12 0.07 0.00 -1.03 0.00 0.00 54.13 53.11 2amy s LEU 10 Cb -0.15 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.38 2amy s LEU 10 CO 0.06 0.28 -0.24 -0.36 0.23 0.00 0.00 176.35 176.32 2amy s PHE 11 N -0.33 2.17 0.65 0.29 0.08 -0.08 -0.62 117.98 120.13 2amy s PHE 11 Ca 0.04 -0.41 -0.17 0.00 0.12 0.00 0.00 56.93 56.51 2amy s PHE 11 Cb -0.13 -1.40 -0.01 0.00 -0.57 0.00 0.00 43.02 40.92 2amy s PHE 11 CO 0.02 -0.04 1.21 0.34 -0.10 0.00 0.00 175.22 176.66 2amy s ASP 12 N -0.58 4.82 0.00 1.36 3.68 -0.08 -1.74 116.67 124.14 2amy s ASP 12 Ca 0.09 2.36 0.00 0.00 2.13 0.00 0.00 52.55 57.14 2amy s ASP 12 Cb -0.09 -2.59 0.00 0.00 -1.45 0.00 0.00 42.92 38.78 2amy s ASP 12 CO -0.01 -1.84 0.00 1.33 0.13 0.00 0.00 175.17 174.78 2amy n VAL 13 N -2.05 0.00 -2.36 1.11 0.24 -1.16 -3.91 118.33 110.20 2amy n VAL 13 Ca 0.13 0.42 -0.42 0.00 -2.04 0.00 0.00 64.34 62.44 2amy n VAL 13 Cb 0.50 -1.30 -0.03 0.00 -1.47 0.00 0.00 33.84 31.54 2amy n VAL 13 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2amy s ASP 14 N -2.89 7.04 0.00 -1.34 2.15 -1.26 -1.95 116.67 118.42 2amy s ASP 14 Ca 0.00 2.15 0.00 0.00 0.43 0.00 0.00 52.55 55.13 2amy s ASP 14 Cb 0.00 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 2amy s ASP 14 CO 0.00 -0.47 0.00 0.61 -0.17 0.00 0.00 175.17 175.14 2amy n GLY 15 N 2.89 2.38 0.11 2.66 0.00 -0.45 -4.77 105.19 108.01 2amy n GLY 15 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 2amy n GLY 15 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2amy n THR 16 N -1.80 1.54 -0.02 2.61 -1.04 -1.02 -3.43 114.28 111.11 2amy n THR 16 Ca 0.00 -0.13 0.06 0.00 -2.04 0.00 0.00 64.05 61.94 2amy n THR 16 Cb 0.00 -1.99 -0.15 0.00 -1.82 0.00 0.00 70.33 66.37 2amy n THR 16 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2amy n LEU 17 N -4.34 0.00 -4.34 -4.42 4.77 -0.82 -3.56 117.00 104.29 2amy n LEU 17 Ca -0.37 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.41 2amy n LEU 17 Cb 0.74 0.09 -0.11 0.00 -2.33 0.00 0.00 43.42 41.82 2amy n LEU 17 CO 0.17 0.09 -0.46 0.42 -1.33 0.00 0.00 177.39 176.27 2amy s THR 18 N -3.15 1.78 0.48 -5.08 -4.23 -1.20 -4.64 115.64 99.60 2amy s THR 18 Ca -0.07 -2.03 -0.23 0.00 -1.18 0.00 0.00 61.69 58.17 2amy s THR 18 Cb 0.11 -1.91 -0.07 0.00 1.34 0.00 0.00 72.50 71.97 2amy s THR 18 CO 0.78 -0.43 1.28 0.00 -0.54 0.00 0.00 174.62 175.71 2amy s ALA 19 N -2.43 3.00 0.29 3.99 0.00 -1.26 -1.33 121.76 124.01 2amy s ALA 19 Ca 0.18 1.17 -0.30 0.00 0.00 0.00 0.00 51.96 53.02 2amy s ALA 19 Cb -0.04 -3.48 -0.13 0.00 0.00 0.00 0.00 23.12 19.47 2amy s ALA 19 CO 0.07 -0.98 1.39 -2.30 0.00 0.00 0.00 175.76 173.94 2amy n PRO 20 N -0.52 2.18 -3.42 0.00 -0.02 -1.26 -0.97 135.00 130.98 2amy n PRO 20 Ca 0.07 0.77 -0.24 0.00 -2.02 0.00 0.00 63.50 62.08 2amy n PRO 20 Cb 0.46 -2.42 -0.00 0.00 -0.02 0.00 0.00 33.50 31.51 2amy n PRO 20 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2amy n ARG 21 N 1.46 -3.46 -4.12 -0.52 1.74 -1.26 -4.98 116.66 105.51 2amy n ARG 21 Ca 0.08 0.48 -0.15 0.00 -0.77 0.00 0.00 57.85 57.49 2amy n ARG 21 Cb 0.34 -5.20 -0.11 0.00 -1.02 0.00 0.00 32.46 26.47 2amy n ARG 21 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2amy s GLN 22 N -6.07 0.69 0.64 5.56 -0.21 -0.15 -5.14 119.66 114.98 2amy s GLN 22 Ca 0.42 -0.91 -0.16 0.00 0.02 0.00 0.00 55.36 54.74 2amy s GLN 22 Cb -0.22 -0.53 -0.01 0.00 1.00 0.00 0.00 33.01 33.25 2amy s GLN 22 CO 0.52 0.10 1.12 0.21 -2.12 0.00 0.00 175.29 175.13 2amy s LYS 23 N -1.88 2.86 0.56 2.91 2.20 -1.26 -4.48 119.74 120.65 2amy s LYS 23 Ca -0.04 1.46 -0.20 0.00 -0.36 0.00 0.00 55.97 56.82 2amy s LYS 23 Cb -0.09 -1.95 -0.05 0.00 -1.51 0.00 0.00 37.83 34.23 2amy s LYS 23 CO 0.01 -1.21 1.14 1.51 -0.36 0.00 0.00 175.35 176.44 2amy n ILE 24 N -2.22 3.66 -3.13 5.43 3.06 0.11 -4.71 119.36 121.57 2amy n ILE 24 Ca 0.11 -0.50 -0.32 0.00 -2.50 0.00 0.00 62.75 59.53 2amy n ILE 24 Cb 0.52 -1.37 -0.06 0.00 0.54 0.00 0.00 39.64 39.27 2amy n ILE 24 CO 0.00 0.00 0.00 -0.89 -2.50 0.00 0.00 176.55 173.16 2amy s THR 25 N -1.39 4.68 0.18 9.51 2.01 -1.26 -4.91 115.64 124.46 2amy s THR 25 Ca 0.73 0.95 -0.13 0.00 0.31 0.00 0.00 61.69 63.55 2amy s THR 25 Cb -0.43 -3.61 0.08 0.00 0.01 0.00 0.00 72.50 68.54 2amy s THR 25 CO 0.49 -0.20 1.78 0.50 -0.69 0.00 0.00 174.62 176.50 2amy h LYS 26 N 2.22 0.47 0.00 4.92 3.11 -2.01 0.46 116.57 125.74 2amy h LYS 26 Ca -0.48 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.33 2amy h LYS 26 Cb 1.17 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 32.30 2amy h LYS 26 CO 0.65 0.31 0.00 -1.91 -2.81 0.00 0.00 179.45 175.69 2amy n GLU 27 N -4.90 0.00 0.00 1.90 2.13 -1.26 -0.55 120.64 117.96 2amy n GLU 27 Ca 0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.87 2amy n GLU 27 Cb 0.14 -0.93 0.00 0.00 0.27 0.00 0.00 31.44 30.92 2amy n GLU 27 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2amy n ASP 29 N -0.03 0.00 -0.23 4.31 2.03 0.16 -1.26 116.55 121.53 2amy n ASP 29 Ca 0.00 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.32 2amy n ASP 29 Cb 0.00 0.00 0.13 0.00 -0.72 0.00 0.00 41.12 40.53 2amy n ASP 29 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2amy h ASP 30 N 0.00 0.37 -0.07 1.67 3.32 -1.07 -1.64 116.42 119.00 2amy h ASP 30 Ca 0.00 0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.15 2amy h ASP 30 Cb 0.00 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.52 2amy h ASP 30 CO 0.00 0.21 -0.20 0.15 -1.72 0.00 0.00 179.24 177.68 2amy h PHE 31 N 0.52 -0.52 -0.57 4.55 3.57 -1.41 -2.10 116.94 120.98 2amy h PHE 31 Ca 0.33 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.84 2amy h PHE 31 Cb 0.38 0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.33 2amy h PHE 31 CO -0.13 -0.28 0.29 -0.07 -2.23 0.00 0.00 178.31 175.89 2amy h LEU 32 N -0.28 0.71 -0.73 0.59 3.38 -1.70 -1.03 115.31 116.25 2amy h LEU 32 Ca 0.08 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 2amy h LEU 32 Cb 0.39 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2amy h LEU 32 CO -0.23 0.60 -0.57 1.56 0.09 0.00 0.00 178.44 179.89 2amy h GLN 33 N 0.80 0.20 -0.38 1.13 1.08 -1.11 0.17 115.11 117.00 2amy h GLN 33 Ca 0.20 -0.13 -0.09 0.00 -1.45 0.00 0.00 58.65 57.18 2amy h GLN 33 Cb 0.06 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 2amy h GLN 33 CO -0.03 0.71 -0.12 -0.22 -0.95 0.00 0.00 178.83 178.22 2amy h LYS 34 N 0.15 0.76 -0.64 1.46 3.64 -1.10 -3.06 116.57 117.78 2amy h LYS 34 Ca -0.00 -0.30 -0.04 0.00 -1.27 0.00 0.00 60.65 59.04 2amy h LYS 34 Cb 1.05 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 2amy h LYS 34 CO 0.09 0.91 0.25 1.25 -2.27 0.00 0.00 179.45 179.67 2amy h LEU 35 N 0.56 0.89 -2.56 5.20 5.85 -0.86 -2.77 115.31 121.61 2amy h LEU 35 Ca 0.09 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2amy h LEU 35 Cb 0.65 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.45 2amy h LEU 35 CO 0.04 0.82 0.10 -0.09 -0.34 0.00 0.00 178.44 178.98 2amy h ARG 36 N 0.90 0.00 -0.80 1.25 2.43 -0.57 -0.45 114.38 117.15 2amy h ARG 36 Ca 0.21 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.45 2amy h ARG 36 Cb 0.22 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.71 2amy h ARG 36 CO -0.02 0.00 0.48 1.96 -1.51 0.00 0.00 179.97 180.88 2amy h GLN 37 N 0.00 0.83 0.00 0.20 1.08 -1.41 -3.34 115.11 112.47 2amy h GLN 37 Ca 0.00 -0.05 -0.20 0.00 -1.45 0.00 0.00 58.65 56.95 2amy h GLN 37 Cb 0.20 -0.19 -0.04 0.00 -0.05 0.00 0.00 27.48 27.40 2amy h GLN 37 CO 0.00 0.55 -2.06 0.36 -0.95 0.00 0.00 178.83 176.73 2amy n LYS 38 N -4.69 0.96 -3.98 1.46 0.00 -0.22 -4.98 118.16 106.71 2amy n LYS 38 Ca 0.12 -0.07 -0.09 0.00 -0.00 0.00 0.00 58.31 58.27 2amy n LYS 38 Cb 0.20 -1.44 -0.11 0.00 -0.00 0.00 0.00 35.03 33.68 2amy n LYS 38 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 2amy s ILE 39 N -2.73 0.12 0.42 0.58 2.07 -0.93 -4.94 121.20 115.79 2amy s ILE 39 Ca -0.08 -0.96 -0.24 0.00 -1.41 0.00 0.00 60.65 57.96 2amy s ILE 39 Cb 0.08 -0.40 -0.08 0.00 0.13 0.00 0.00 42.46 42.18 2amy s ILE 39 CO 0.73 -0.53 1.14 -0.54 -1.91 0.00 0.00 174.94 173.82 2amy s LYS 40 N -1.69 3.99 0.03 3.50 -0.14 -1.13 -3.84 119.74 120.46 2amy s LYS 40 Ca -0.14 1.73 0.07 0.00 -1.36 0.00 0.00 55.97 56.27 2amy s LYS 40 Cb -0.08 -2.56 -0.02 0.00 -1.68 0.00 0.00 37.83 33.49 2amy s LYS 40 CO -0.02 -0.34 -0.19 0.96 -0.76 0.00 0.00 175.35 175.00 2amy s ILE 41 N -1.52 1.53 0.21 2.17 -4.36 -1.26 -1.06 121.20 116.91 2amy s ILE 41 Ca 0.59 -1.09 -0.03 0.00 -0.26 0.00 0.00 60.65 59.86 2amy s ILE 41 Cb -0.28 -1.33 -0.03 0.00 1.25 0.00 0.00 42.46 42.07 2amy s ILE 41 CO 0.34 0.21 0.20 -0.83 0.24 0.00 0.00 174.94 175.10 2amy s GLY 42 N -1.03 1.27 -0.00 6.27 0.00 0.87 -0.14 107.32 114.56 2amy s GLY 42 Ca 0.06 -1.54 0.04 0.00 0.00 0.00 0.00 44.72 43.28 2amy s GLY 42 CO 0.01 -1.25 -0.14 -1.34 0.00 0.00 0.00 173.10 170.38 2amy s VAL 43 N -4.12 1.11 0.05 1.40 -7.23 -0.76 -0.90 120.40 109.96 2amy s VAL 43 Ca 0.36 -0.68 0.05 0.00 -1.81 0.00 0.00 61.98 59.90 2amy s VAL 43 Cb 0.05 -0.94 -0.02 0.00 0.56 0.00 0.00 36.38 36.03 2amy s VAL 43 CO 0.12 0.26 -0.14 0.54 -0.31 0.00 0.00 175.10 175.56 2amy s VAL 44 N -0.42 1.11 0.11 1.32 0.11 -0.71 -0.02 120.40 121.90 2amy s VAL 44 Ca 0.05 -1.08 -0.25 0.00 -2.93 0.00 0.00 61.98 57.76 2amy s VAL 44 Cb -0.06 -1.03 0.08 0.00 -1.53 0.00 0.00 36.38 33.84 2amy s VAL 44 CO -0.00 -0.06 0.75 -0.83 -3.33 0.00 0.00 175.10 171.63 2amy s GLY 45 N -1.30 -0.47 0.34 6.54 0.00 -0.85 -2.98 107.32 108.60 2amy s GLY 45 Ca 0.01 0.55 0.26 0.00 0.00 0.00 0.00 44.72 45.54 2amy s GLY 45 CO 0.02 0.18 1.77 -1.33 0.00 0.00 0.00 173.10 173.74 2amy h GLY 46 N 2.00 0.00 -0.72 0.20 0.00 -1.92 0.78 103.07 103.41 2amy h GLY 46 Ca -0.27 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.58 2amy h GLY 46 CO 0.33 0.00 0.40 -0.56 0.00 0.00 0.00 176.54 176.71 2amy s SER 47 N -4.97 4.64 0.65 0.19 0.01 -1.26 -3.89 113.70 109.07 2amy s SER 47 Ca 0.06 0.88 -0.05 0.00 1.31 0.00 0.00 55.95 58.15 2amy s SER 47 Cb 0.09 -1.44 0.05 0.00 0.21 0.00 0.00 66.02 64.93 2amy s SER 47 CO 0.53 -1.83 0.94 1.51 0.41 0.00 0.00 173.24 174.80 2amy s ASP 48 N -4.48 5.04 0.30 2.44 1.47 -1.26 0.50 116.67 120.68 2amy s ASP 48 Ca 0.61 0.39 0.04 0.00 1.18 0.00 0.00 52.55 54.77 2amy s ASP 48 Cb -0.11 -1.15 0.64 0.00 -0.34 0.00 0.00 42.92 41.95 2amy s ASP 48 CO 0.50 -1.41 1.84 0.15 0.68 0.00 0.00 175.17 176.93 2amy h PHE 49 N -0.38 1.07 -0.68 2.11 3.57 -1.97 -2.36 116.94 118.30 2amy h PHE 49 Ca -0.44 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.02 2amy h PHE 49 Cb 1.30 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.68 2amy h PHE 49 CO 0.36 0.39 0.15 0.93 -2.23 0.00 0.00 178.31 177.92 2amy h GLU 50 N 0.90 1.09 -0.45 1.11 5.08 -1.99 -1.63 114.58 118.69 2amy h GLU 50 Ca 0.50 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 2amy h GLU 50 Cb 0.59 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 2amy h GLU 50 CO -0.27 0.98 0.25 -0.22 -1.00 0.00 0.00 179.01 178.76 2amy h LYS 51 N 1.02 0.63 -0.58 2.33 1.63 -1.82 -1.61 116.57 118.17 2amy h LYS 51 Ca 0.21 -0.07 -0.05 0.00 -0.85 0.00 0.00 60.65 59.89 2amy h LYS 51 Cb 0.39 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.87 2amy h LYS 51 CO 0.01 0.49 0.15 0.28 -3.45 0.00 0.00 179.45 176.93 2amy h VAL 52 N 0.60 1.23 -0.21 2.00 2.07 -1.00 -1.93 116.25 119.02 2amy h VAL 52 Ca 0.16 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.85 2amy h VAL 52 Cb 0.04 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 2amy h VAL 52 CO -0.03 0.31 0.14 1.56 0.02 0.00 0.00 177.57 179.57 2amy h GLN 53 N 0.86 0.28 -0.62 1.57 4.20 -1.08 0.58 115.11 120.90 2amy h GLN 53 Ca 0.19 -0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.96 2amy h GLN 53 Cb 0.29 -0.06 -0.07 0.00 0.30 0.00 0.00 27.48 27.95 2amy h GLN 53 CO -0.00 0.19 0.27 0.93 -0.67 0.00 0.00 178.83 179.55 2amy h GLU 54 N 0.28 0.48 0.18 1.46 5.08 -0.85 0.95 114.58 122.15 2amy h GLU 54 Ca 0.08 -0.03 -0.31 0.00 -1.00 0.00 0.00 59.36 58.10 2amy h GLU 54 Cb -0.02 -0.11 0.03 0.00 0.50 0.00 0.00 28.75 29.15 2amy h GLU 54 CO -0.02 0.31 -1.34 1.96 -1.00 0.00 0.00 179.01 178.93 2amy h GLN 55 N 0.49 0.57 -0.00 2.33 4.20 -0.78 -3.38 115.11 118.53 2amy h GLN 55 Ca 0.30 -0.85 0.00 0.00 0.06 0.00 0.00 58.65 58.17 2amy h GLN 55 Cb 0.32 0.30 0.00 0.00 0.30 0.00 0.00 27.48 28.40 2amy h GLN 55 CO -0.26 1.39 -0.35 1.28 -0.67 0.00 0.00 178.83 180.22 2amy n LEU 56 N -3.74 0.69 0.00 1.46 4.77 0.20 -0.71 117.00 119.66 2amy n LEU 56 Ca -0.15 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.24 2amy n LEU 56 Cb 1.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.13 2amy n LEU 56 CO 0.59 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 2amy n GLY 57 N 1.10 2.47 0.21 -0.72 0.00 0.33 -4.62 105.19 103.96 2amy n GLY 57 Ca 0.02 -1.83 0.06 0.00 0.00 0.00 0.00 46.02 44.28 2amy n GLY 57 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2amy h ASN 58 N 0.00 0.00 -0.21 1.61 2.35 -1.93 -1.70 115.58 115.70 2amy h ASN 58 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 2amy h ASN 58 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 2amy h ASN 58 CO 0.00 0.31 0.02 -0.90 -1.65 0.00 0.00 177.43 175.21 2amy n ASP 59 N -3.78 2.67 -0.31 5.81 5.75 -1.26 -4.60 116.55 120.83 2amy n ASP 59 Ca -0.01 -2.34 0.15 0.00 -0.01 0.00 0.00 54.79 52.57 2amy n ASP 59 Cb 0.40 -0.57 0.31 0.00 -1.03 0.00 0.00 41.12 40.23 2amy n ASP 59 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 2amy h VAL 60 N 1.26 0.22 0.00 2.12 3.04 -1.56 -0.59 116.25 120.73 2amy h VAL 60 Ca 0.02 -0.05 -0.00 0.00 -1.01 0.00 0.00 66.70 65.66 2amy h VAL 60 Cb 1.06 0.07 -0.00 0.00 -2.01 0.00 0.00 31.29 30.41 2amy h VAL 60 CO 0.19 0.02 -0.01 -0.37 -1.01 0.00 0.00 177.57 176.39 2amy h VAL 61 N 0.14 0.08 0.00 1.51 -1.51 -1.87 -1.09 116.25 113.51 2amy h VAL 61 Ca 0.58 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 65.85 2amy h VAL 61 Cb 1.22 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 31.56 2amy h VAL 61 CO -0.73 0.01 -0.67 -0.33 -1.23 0.00 0.00 177.57 174.62 2amy h GLU 62 N 0.00 0.00 0.00 5.19 5.08 -1.49 -3.24 114.58 120.13 2amy h GLU 62 Ca -0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 2amy h GLU 62 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2amy h GLU 62 CO 0.00 0.00 -1.43 1.63 -1.00 0.00 0.00 179.01 178.21 2amy n LYS 63 N -2.25 0.63 -4.17 2.33 4.76 -0.43 -4.92 118.16 114.10 2amy n LYS 63 Ca 0.03 0.07 -0.18 0.00 -2.87 0.00 0.00 58.31 55.36 2amy n LYS 63 Cb 0.46 -1.73 -0.12 0.00 -1.84 0.00 0.00 35.03 31.80 2amy n LYS 63 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2amy s TYR 64 N -3.22 1.21 0.19 2.13 2.02 -1.09 -4.91 117.35 113.68 2amy s TYR 64 Ca -0.03 -0.47 0.07 0.00 -0.37 0.00 0.00 57.07 56.27 2amy s TYR 64 Cb 0.10 -0.68 0.06 0.00 -0.40 0.00 0.00 41.96 41.04 2amy s TYR 64 CO 0.83 0.06 1.43 -0.44 -1.57 0.00 0.00 175.55 175.86 2amy h ASP 65 N 4.26 0.06 -4.42 2.29 3.32 -0.84 -3.43 116.42 117.66 2amy h ASP 65 Ca -0.41 -0.04 -0.39 0.00 0.02 0.00 0.00 57.03 56.21 2amy h ASP 65 Cb 1.19 -0.02 -0.24 0.00 0.22 0.00 0.00 39.33 40.49 2amy h ASP 65 CO 0.41 0.85 -0.77 -0.31 -1.72 0.00 0.00 179.24 177.69 2amy s TYR 66 N -3.18 1.04 -0.04 4.55 2.02 -1.10 -1.22 117.35 119.42 2amy s TYR 66 Ca -0.01 -0.39 -0.02 0.00 -0.37 0.00 0.00 57.07 56.29 2amy s TYR 66 Cb 0.11 -0.61 0.03 0.00 -0.40 0.00 0.00 41.96 41.09 2amy s TYR 66 CO 0.80 0.01 0.06 0.08 -1.57 0.00 0.00 175.55 174.93 2amy s VAL 67 N -1.00 -0.10 -0.60 0.71 1.01 -0.56 -1.82 120.40 118.04 2amy s VAL 67 Ca -0.02 0.39 0.05 0.00 0.00 0.00 0.00 61.98 62.40 2amy s VAL 67 Cb -0.08 -0.14 0.18 0.00 0.00 0.00 0.00 36.38 36.34 2amy s VAL 67 CO 0.01 0.16 0.48 0.49 0.00 0.00 0.00 175.10 176.24 2amy n PHE 68 N 5.08 1.91 -1.14 5.22 3.72 0.97 -0.91 117.46 132.32 2amy n PHE 68 Ca -0.08 -3.97 -0.31 0.00 -0.05 0.00 0.00 57.45 53.04 2amy n PHE 68 Cb 0.50 -0.35 0.11 0.00 -0.94 0.00 0.00 39.48 38.80 2amy n PHE 68 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 2amy s PRO 69 N -1.13 1.91 -1.51 -1.08 0.02 -1.18 -2.00 135.00 130.03 2amy s PRO 69 Ca 0.29 1.22 -0.08 0.00 0.02 0.00 0.00 61.00 62.45 2amy s PRO 69 Cb 0.01 -1.85 0.06 0.00 0.02 0.00 0.00 34.50 32.74 2amy s PRO 69 CO -0.16 -1.90 0.69 0.39 -0.33 0.00 0.00 177.00 175.68 2amy n GLU 70 N -3.71 -3.99 -1.14 5.54 1.02 0.18 -0.87 120.64 117.67 2amy n GLU 70 Ca 0.09 0.47 -0.05 0.00 -0.02 0.00 0.00 57.16 57.65 2amy n GLU 70 Cb 0.53 -4.99 -0.02 0.00 -0.02 0.00 0.00 31.44 26.93 2amy n GLU 70 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2amy n ASN 71 N -2.87 -4.52 0.00 1.62 3.02 0.11 -1.63 115.26 111.00 2amy n ASN 71 Ca -0.12 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2amy n ASN 71 Cb 0.59 -2.46 0.00 0.00 -0.61 0.00 0.00 39.78 37.31 2amy n ASN 71 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2amy n GLY 72 N -1.15 0.76 0.22 7.41 0.00 -0.05 -2.43 105.19 109.94 2amy n GLY 72 Ca -0.05 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.05 2amy n GLY 72 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2amy h LEU 73 N 0.00 0.00 -9.06 0.99 3.38 -1.25 -3.37 115.31 106.00 2amy h LEU 73 Ca 0.00 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 2amy h LEU 73 Cb 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.57 2amy h LEU 73 CO 0.00 0.24 -0.61 -0.69 0.09 0.00 0.00 178.44 177.47 2amy s VAL 74 N -4.12 4.37 -0.01 1.22 1.01 -1.14 -1.09 120.40 120.63 2amy s VAL 74 Ca -0.02 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.77 2amy s VAL 74 Cb 0.13 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.60 2amy s VAL 74 CO 0.66 0.51 -0.01 0.00 0.00 0.00 0.00 175.10 176.25 2amy s ALA 75 N 0.06 0.21 -0.03 5.51 0.00 -0.98 -3.13 121.76 123.40 2amy s ALA 75 Ca 0.03 -0.01 0.07 0.00 0.00 0.00 0.00 51.96 52.05 2amy s ALA 75 Cb -0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 2amy s ALA 75 CO 0.02 0.01 -0.25 0.71 0.00 0.00 0.00 175.76 176.25 2amy s TYR 76 N 0.26 2.38 -0.06 0.00 2.02 -0.08 0.17 117.35 122.03 2amy s TYR 76 Ca -0.02 -0.49 0.01 0.00 -0.37 0.00 0.00 57.07 56.20 2amy s TYR 76 Cb -0.05 -1.53 0.02 0.00 -0.40 0.00 0.00 41.96 40.01 2amy s TYR 76 CO -0.01 -0.07 -0.05 0.21 -1.57 0.00 0.00 175.55 174.07 2amy s LYS 77 N -0.52 1.02 -1.38 -0.62 2.20 -0.27 -1.50 119.74 118.67 2amy s LYS 77 Ca 0.07 -0.13 -0.01 0.00 -0.36 0.00 0.00 55.97 55.54 2amy s LYS 77 Cb -0.11 -1.05 0.00 0.00 -1.51 0.00 0.00 37.83 35.17 2amy s LYS 77 CO 0.00 -0.13 0.04 -0.25 -0.36 0.00 0.00 175.35 174.66 2amy n ASP 78 N 4.32 -4.82 0.00 1.43 10.43 -0.36 -1.22 116.55 126.34 2amy n ASP 78 Ca -0.20 0.07 0.00 0.00 2.57 0.00 0.00 54.79 57.23 2amy n ASP 78 Cb 0.51 -4.04 0.00 0.00 1.84 0.00 0.00 41.12 39.43 2amy n ASP 78 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2amy n GLY 79 N -0.94 0.91 3.32 0.44 0.00 -1.22 -5.02 105.19 102.69 2amy n GLY 79 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 2amy n GLY 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2amy s LYS 80 N -0.48 2.39 -0.06 1.61 2.20 -0.35 -4.98 119.74 120.06 2amy s LYS 80 Ca 0.00 -0.88 -0.29 0.00 -0.36 0.00 0.00 55.97 54.44 2amy s LYS 80 Cb 0.00 -2.16 -0.06 0.00 -1.51 0.00 0.00 37.83 34.10 2amy s LYS 80 CO 0.00 0.49 1.85 -1.17 -0.36 0.00 0.00 175.35 176.15 2amy s LEU 81 N -0.42 4.20 -0.17 5.43 1.98 -1.26 -1.12 118.68 127.32 2amy s LEU 81 Ca 0.04 2.28 -0.14 0.00 -2.89 0.00 0.00 54.13 53.42 2amy s LEU 81 Cb -0.12 -3.53 -0.09 0.00 0.66 0.00 0.00 46.19 43.11 2amy s LEU 81 CO 0.01 -1.16 -0.06 -0.11 -1.89 0.00 0.00 176.35 173.15 2amy n LEU 82 N 8.06 1.84 -3.87 -0.68 7.94 0.13 -4.93 117.00 125.49 2amy n LEU 82 Ca 0.20 0.54 -0.11 0.00 -1.11 0.00 0.00 56.01 55.53 2amy n LEU 82 Cb 0.43 -0.90 -0.09 0.00 0.53 0.00 0.00 43.42 43.39 2amy n LEU 82 CO 0.65 -0.17 -0.15 0.00 -1.11 0.00 0.00 177.39 176.62 2amy s ARG 84 N -1.88 0.37 0.07 0.00 0.52 -1.25 -2.32 118.95 114.47 2amy s ARG 84 Ca -0.11 -0.23 0.10 0.00 -0.52 0.00 0.00 55.73 54.97 2amy s ARG 84 Cb -0.05 -1.91 -0.03 0.00 0.52 0.00 0.00 34.95 33.48 2amy s ARG 84 CO -0.01 -0.64 -0.26 -1.14 0.02 0.00 0.00 175.30 173.28 2amy s GLN 85 N 1.99 1.67 0.14 3.54 2.00 -0.25 -5.04 119.66 123.73 2amy s GLN 85 Ca 0.01 -1.19 -0.01 0.00 -2.00 0.00 0.00 55.36 52.17 2amy s GLN 85 Cb -0.16 -1.96 -0.04 0.00 0.80 0.00 0.00 33.01 31.65 2amy s GLN 85 CO -0.08 0.49 0.06 0.54 -0.50 0.00 0.00 175.29 175.80 2amy s ASN 86 N -1.53 0.36 0.32 6.67 2.20 -1.26 -4.73 114.94 116.96 2amy s ASN 86 Ca 0.13 -1.23 0.04 0.00 -0.94 0.00 0.00 52.86 50.85 2amy s ASN 86 Cb -0.10 0.29 0.54 0.00 -2.00 0.00 0.00 41.25 39.99 2amy s ASN 86 CO 0.04 -0.73 1.83 -0.29 -2.94 0.00 0.00 177.10 175.00 2amy h ILE 87 N 2.82 1.22 0.00 0.54 2.10 -0.06 -2.51 117.51 121.62 2amy h ILE 87 Ca -0.35 -0.92 -0.12 0.00 1.08 0.00 0.00 64.86 64.54 2amy h ILE 87 Cb 1.21 1.06 -0.02 0.00 -1.09 0.00 0.00 36.82 37.97 2amy h ILE 87 CO 0.59 0.31 -0.59 0.06 -1.08 0.00 0.00 178.15 177.43 2amy h GLN 88 N 0.49 0.00 0.03 2.19 -0.00 -1.90 -0.76 115.11 115.15 2amy h GLN 88 Ca 0.10 0.00 -0.27 0.00 -0.00 0.00 0.00 58.65 58.48 2amy h GLN 88 Cb 0.43 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 27.93 2amy h GLN 88 CO 0.02 0.59 -1.07 0.77 -0.00 0.00 0.00 178.83 179.14 2amy h SER 89 N 0.00 0.90 -0.10 0.06 0.02 -1.86 -1.29 113.55 111.28 2amy h SER 89 Ca -0.01 -0.76 -0.01 0.00 -0.84 0.00 0.00 61.79 60.18 2amy h SER 89 Cb 1.34 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 63.60 2amy h SER 89 CO 0.08 1.54 0.02 -0.74 -1.14 0.00 0.00 176.83 176.59 2amy h HIS 90 N 0.35 0.16 0.00 3.45 -0.00 -1.31 -3.32 115.15 114.48 2amy h HIS 90 Ca -0.14 -0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.16 2amy h HIS 90 Cb 1.73 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 29.09 2amy h HIS 90 CO 0.11 0.33 -0.95 -0.07 -0.00 0.00 0.00 177.93 177.35 2amy h LEU 91 N -0.05 0.00 0.00 0.26 3.38 -1.23 -3.51 115.31 114.16 2amy h LEU 91 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2amy h LEU 91 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2amy h LEU 91 CO 0.00 0.19 0.00 0.61 0.09 0.00 0.00 178.44 179.33 2amy n GLY 92 N 1.23 -1.33 0.16 0.83 0.00 -0.49 -4.48 105.19 101.12 2amy n GLY 92 Ca -0.02 -1.45 -0.09 0.00 0.00 0.00 0.00 46.02 44.46 2amy n GLY 92 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2amy h GLU 93 N 0.00 0.48 -0.66 1.61 4.39 -1.94 -2.50 114.58 115.95 2amy h GLU 93 Ca 0.00 -0.07 0.08 0.00 0.34 0.00 0.00 59.36 59.71 2amy h GLU 93 Cb 0.00 -0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 28.50 2amy h GLU 93 CO 0.00 0.43 0.33 0.00 -1.16 0.00 0.00 179.01 178.62 2amy h ALA 94 N 1.02 0.89 -0.16 3.43 0.00 -1.95 0.26 119.26 122.75 2amy h ALA 94 Ca 0.11 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2amy h ALA 94 Cb 0.11 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2amy h ALA 94 CO -0.01 -0.04 -0.05 1.25 0.00 0.00 0.00 179.25 180.40 2amy h LEU 95 N 0.60 0.31 -0.95 0.00 5.85 -1.78 0.67 115.31 120.01 2amy h LEU 95 Ca 0.31 -0.38 0.19 0.00 0.84 0.00 0.00 57.88 58.85 2amy h LEU 95 Cb 0.28 -0.09 -0.18 0.00 0.37 0.00 0.00 40.66 41.04 2amy h LEU 95 CO -0.23 0.62 -0.22 0.40 -0.34 0.00 0.00 178.44 178.67 2amy h ILE 96 N 0.00 0.05 0.15 4.05 1.08 -1.12 0.16 117.51 121.88 2amy h ILE 96 Ca 0.04 -0.00 -0.29 0.00 -0.39 0.00 0.00 64.86 64.22 2amy h ILE 96 Cb 0.49 0.05 0.01 0.00 -3.07 0.00 0.00 36.82 34.30 2amy h ILE 96 CO 0.02 0.00 -1.33 -0.61 -0.69 0.00 0.00 178.15 175.54 2amy h GLN 97 N 0.00 0.32 -0.80 2.37 4.15 -0.65 -1.52 115.11 118.99 2amy h GLN 97 Ca 0.46 -0.55 0.02 0.00 0.77 0.00 0.00 58.65 59.36 2amy h GLN 97 Cb 0.72 0.20 -0.04 0.00 0.21 0.00 0.00 27.48 28.57 2amy h GLN 97 CO -0.97 1.25 0.51 -0.44 -1.93 0.00 0.00 178.83 177.25 2amy h ASP 98 N 0.09 0.87 -0.30 -0.69 3.45 -0.23 0.44 116.42 120.03 2amy h ASP 98 Ca -0.17 -0.01 0.01 0.00 0.43 0.00 0.00 57.03 57.29 2amy h ASP 98 Cb 2.02 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 40.57 2amy h ASP 98 CO 0.21 0.61 0.18 -0.07 -1.57 0.00 0.00 179.24 178.60 2amy h LEU 99 N 1.02 0.30 0.33 1.55 3.38 -0.82 -1.84 115.31 119.23 2amy h LEU 99 Ca 0.31 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 2amy h LEU 99 Cb -0.04 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2amy h LEU 99 CO -0.09 0.22 -0.16 0.40 0.09 0.00 0.00 178.44 178.90 2amy h ILE 100 N 0.37 0.69 -0.41 1.22 2.04 -1.02 -0.67 117.51 119.74 2amy h ILE 100 Ca 0.12 -0.14 0.08 0.00 1.00 0.00 0.00 64.86 65.91 2amy h ILE 100 Cb -0.01 0.77 -0.07 0.00 -0.74 0.00 0.00 36.82 36.77 2amy h ILE 100 CO -0.05 0.03 -0.01 0.78 0.00 0.00 0.00 178.15 178.90 2amy h ASN 101 N -0.52 -0.19 0.07 1.72 2.35 -0.96 0.12 115.58 118.17 2amy h ASN 101 Ca -0.05 0.10 0.02 0.00 -0.55 0.00 0.00 56.30 55.82 2amy h ASN 101 Cb 0.39 0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 2amy h ASN 101 CO 0.07 -0.06 -0.16 0.22 -1.65 0.00 0.00 177.43 175.85 2amy h TYR 102 N 0.09 -0.43 -0.55 1.19 3.20 -1.22 -2.21 116.97 117.05 2amy h TYR 102 Ca 0.20 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 2amy h TYR 102 Cb 0.29 0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.71 2amy h TYR 102 CO -0.28 -0.24 0.24 0.00 -1.64 0.00 0.00 178.16 176.23 2amy h LEU 104 N 0.78 -0.34 -0.78 0.00 3.38 -0.78 -1.12 115.31 116.45 2amy h LEU 104 Ca 0.19 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.12 2amy h LEU 104 Cb 0.13 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2amy h LEU 104 CO -0.02 -0.20 0.07 0.28 0.09 0.00 0.00 178.44 178.66 2amy h SER 105 N -0.30 0.95 0.31 -0.43 0.02 -1.23 -1.90 113.55 110.98 2amy h SER 105 Ca -0.00 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 60.71 2amy h SER 105 Cb 0.28 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2amy h SER 105 CO -0.02 0.97 -0.15 0.22 -1.14 0.00 0.00 176.83 176.70 2amy h TYR 106 N 0.93 -0.39 -0.75 3.45 3.20 -1.01 -2.89 116.97 119.51 2amy h TYR 106 Ca 0.18 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.16 2amy h TYR 106 Cb 0.44 0.13 -0.08 0.00 1.54 0.00 0.00 36.73 38.76 2amy h TYR 106 CO 0.03 -0.12 0.35 0.82 -1.64 0.00 0.00 178.16 177.60 2amy h ILE 107 N -0.61 0.77 -0.68 1.81 2.04 -1.11 0.15 117.51 119.88 2amy h ILE 107 Ca -0.04 -0.19 0.18 0.00 1.00 0.00 0.00 64.86 65.81 2amy h ILE 107 Cb 0.44 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 2amy h ILE 107 CO 0.07 0.10 0.48 0.00 0.00 0.00 0.00 178.15 178.80 2amy h ALA 108 N 1.49 2.50 0.00 1.87 0.00 -1.29 -1.35 119.26 122.48 2amy h ALA 108 Ca 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2amy h ALA 108 Cb 0.50 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2amy h ALA 108 CO -0.33 -0.70 -0.47 1.63 0.00 0.00 0.00 179.25 179.39 2amy n LYS 109 N -4.38 0.03 -2.83 0.00 5.02 0.01 -4.90 118.16 111.11 2amy n LYS 109 Ca 0.13 0.01 -0.41 0.00 -2.02 0.00 0.00 58.31 56.02 2amy n LYS 109 Cb 0.68 -1.52 -0.04 0.00 -0.02 0.00 0.00 35.03 34.14 2amy n LYS 109 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2amy s ILE 110 N -3.02 4.92 -0.21 -0.18 1.01 -0.51 -5.01 121.20 118.20 2amy s ILE 110 Ca 0.11 1.83 -0.26 0.00 0.00 0.00 0.00 60.65 62.33 2amy s ILE 110 Cb 0.17 -4.22 -0.00 0.00 0.01 0.00 0.00 42.46 38.42 2amy s ILE 110 CO 0.69 0.17 0.90 -0.54 0.00 0.00 0.00 174.94 176.15 2amy s LYS 111 N 1.11 4.24 0.10 2.79 -0.14 -1.26 -5.03 119.74 121.55 2amy s LYS 111 Ca 0.46 1.10 0.01 0.00 -1.36 0.00 0.00 55.97 56.18 2amy s LYS 111 Cb -0.19 -3.62 -0.04 0.00 -1.68 0.00 0.00 37.83 32.29 2amy s LYS 111 CO 0.23 -0.49 -0.05 -0.51 -0.76 0.00 0.00 175.35 173.76 2amy s LEU 112 N 2.73 2.46 0.31 3.17 1.43 -1.26 -5.04 118.68 122.48 2amy s LEU 112 Ca 0.39 -1.02 0.05 0.00 -1.03 0.00 0.00 54.13 52.51 2amy s LEU 112 Cb -0.16 -0.04 0.53 0.00 0.03 0.00 0.00 46.19 46.55 2amy s LEU 112 CO 0.09 -0.49 1.79 1.55 0.23 0.00 0.00 176.35 179.52 2amy h PRO 113 N 2.96 0.43 -3.62 1.29 0.13 -1.98 -3.45 132.00 127.76 2amy h PRO 113 Ca -0.35 -0.13 -0.15 0.00 -0.87 0.00 0.00 66.00 64.50 2amy h PRO 113 Cb 1.17 -0.04 -0.20 0.00 0.13 0.00 0.00 31.00 32.05 2amy h PRO 113 CO 0.65 0.60 -0.53 0.15 -0.23 0.00 0.00 178.00 178.64 2amy s LYS 114 N -4.62 0.47 -0.01 0.86 1.02 -1.26 -5.15 119.74 111.05 2amy s LYS 114 Ca -0.07 -0.48 0.02 0.00 0.02 0.00 0.00 55.97 55.47 2amy s LYS 114 Cb 0.14 0.19 -0.01 0.00 -0.52 0.00 0.00 37.83 37.64 2amy s LYS 114 CO 0.77 -0.11 -0.08 0.15 -0.92 0.00 0.00 175.35 175.16 2amy s LYS 115 N -1.54 0.65 0.00 1.68 1.02 -1.26 -4.76 119.74 115.53 2amy s LYS 115 Ca -0.14 -0.29 0.00 0.00 0.02 0.00 0.00 55.97 55.56 2amy s LYS 115 Cb -0.07 -0.63 0.00 0.00 -0.52 0.00 0.00 37.83 36.61 2amy s LYS 115 CO 0.01 0.17 0.00 0.54 -0.92 0.00 0.00 175.35 175.15 2amy n ARG 116 N 2.87 0.00 -3.85 1.68 5.12 0.51 -5.05 116.66 117.95 2amy n ARG 116 Ca -0.13 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 55.73 2amy n ARG 116 Cb 0.57 0.00 0.02 0.00 -1.16 0.00 0.00 32.46 31.89 2amy n ARG 116 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2amy s GLY 117 N 0.00 0.26 -1.13 -0.13 0.00 -1.26 -4.95 107.32 100.11 2amy s GLY 117 Ca 0.00 -0.56 -0.11 0.00 0.00 0.00 0.00 44.72 44.05 2amy s GLY 117 CO 0.00 1.05 0.84 2.41 0.00 0.00 0.00 173.10 177.40 2amy n THR 118 N -0.62 -6.96 0.14 0.90 -1.04 -1.26 -1.57 114.28 103.88 2amy n THR 118 Ca -0.06 -1.03 -0.01 0.00 -2.04 0.00 0.00 64.05 60.92 2amy n THR 118 Cb 0.60 -5.14 0.20 0.00 -1.82 0.00 0.00 70.33 64.16 2amy n THR 118 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 2amy h PHE 119 N -1.57 0.00 -3.39 -1.42 0.04 -1.92 -1.14 116.94 107.54 2amy h PHE 119 Ca -0.63 -0.00 -0.59 0.00 2.80 0.00 0.00 57.97 59.55 2amy h PHE 119 Cb 1.34 -0.00 -0.37 0.00 2.20 0.00 0.00 35.95 39.12 2amy h PHE 119 CO 0.35 0.58 -0.80 0.42 -0.60 0.00 0.00 178.31 178.26 2amy s ILE 120 N -3.71 1.42 -0.25 -0.55 1.01 -1.26 -0.54 121.20 117.33 2amy s ILE 120 Ca -0.02 -0.87 -0.08 0.00 0.00 0.00 0.00 60.65 59.69 2amy s ILE 120 Cb 0.13 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 41.02 2amy s ILE 120 CO 0.76 0.14 0.08 -0.70 0.00 0.00 0.00 174.94 175.21 2amy s GLU 121 N 1.49 3.70 -0.27 2.79 2.12 0.14 -4.96 118.70 123.71 2amy s GLU 121 Ca -0.01 -0.46 -0.16 0.00 0.36 0.00 0.00 54.97 54.71 2amy s GLU 121 Cb -0.16 -3.35 -0.03 0.00 0.26 0.00 0.00 34.13 30.85 2amy s GLU 121 CO -0.08 -0.16 0.40 0.12 -0.54 0.00 0.00 175.26 175.00 2amy s PHE 122 N 1.56 3.25 0.22 5.30 5.36 -1.26 -0.22 117.98 132.19 2amy s PHE 122 Ca 0.06 0.46 0.12 0.00 -0.96 0.00 0.00 56.93 56.61 2amy s PHE 122 Cb -0.15 -2.60 -0.05 0.00 -0.34 0.00 0.00 43.02 39.88 2amy s PHE 122 CO 0.04 -0.24 -0.22 1.03 -1.46 0.00 0.00 175.22 174.37 2amy s ARG 123 N 2.11 1.59 0.36 10.12 0.52 -1.26 -5.01 118.95 127.38 2amy s ARG 123 Ca 0.16 -1.59 0.13 0.00 -0.52 0.00 0.00 55.73 53.91 2amy s ARG 123 Cb -0.16 -1.83 0.95 0.00 0.52 0.00 0.00 34.95 34.43 2amy s ARG 123 CO 0.10 0.38 1.79 -0.91 0.02 0.00 0.00 175.30 176.68 2amy h ASN 124 N 2.90 0.58 -0.26 0.23 2.35 -1.97 -3.43 115.58 115.99 2amy h ASN 124 Ca -0.44 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 2amy h ASN 124 Cb 1.22 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.58 2amy h ASN 124 CO 0.52 0.18 0.00 0.61 -1.65 0.00 0.00 177.43 177.09 2amy n GLY 125 N -1.42 1.41 3.63 2.83 0.00 -1.26 0.65 105.19 111.03 2amy n GLY 125 Ca 0.23 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 45.20 2amy n GLY 125 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2amy s LEU 127 N -1.53 4.08 -0.22 0.99 1.43 0.53 -4.51 118.68 119.45 2amy s LEU 127 Ca 0.33 0.27 -0.12 0.00 -1.03 0.00 0.00 54.13 53.57 2amy s LEU 127 Cb 0.20 -2.34 -0.05 0.00 0.03 0.00 0.00 46.19 44.04 2amy s LEU 127 CO 0.29 -0.09 0.23 0.21 0.23 0.00 0.00 176.35 177.21 2amy s ASN 128 N 1.40 6.23 -0.09 2.29 3.84 0.69 -1.05 114.94 128.25 2amy s ASN 128 Ca 0.13 0.25 0.04 0.00 0.21 0.00 0.00 52.86 53.49 2amy s ASN 128 Cb -0.15 -2.14 -0.01 0.00 -0.55 0.00 0.00 41.25 38.40 2amy s ASN 128 CO 0.09 0.04 -0.21 -0.69 -2.79 0.00 0.00 177.10 173.54 2amy s VAL 129 N 1.01 2.41 -0.13 -5.21 1.01 -0.28 0.23 120.40 119.44 2amy s VAL 129 Ca 0.11 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 2amy s VAL 129 Cb -0.13 -1.93 0.04 0.00 0.00 0.00 0.00 36.38 34.35 2amy s VAL 129 CO 0.05 0.56 -0.02 -0.55 0.00 0.00 0.00 175.10 175.13 2amy s SER 130 N 0.06 2.26 0.42 3.32 0.15 0.30 -0.99 113.70 119.23 2amy s SER 130 Ca -0.09 -0.41 0.13 0.00 0.70 0.00 0.00 55.95 56.29 2amy s SER 130 Cb -0.15 -0.67 1.00 0.00 -1.71 0.00 0.00 66.02 64.49 2amy s SER 130 CO 0.05 -0.20 1.96 -0.65 1.20 0.00 0.00 173.24 175.61 2amy h PRO 131 N 8.23 0.44 0.08 5.44 0.11 -1.84 -2.60 132.00 141.84 2amy h PRO 131 Ca -0.22 -0.03 -0.25 0.00 0.11 0.00 0.00 66.00 65.61 2amy h PRO 131 Cb 1.12 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 2amy h PRO 131 CO 0.34 0.29 -1.19 0.97 -0.21 0.00 0.00 178.00 178.20 2amy h ILE 132 N 0.45 1.53 0.00 4.15 2.10 -1.86 -3.46 117.51 120.43 2amy h ILE 132 Ca 0.31 -3.17 0.00 0.00 1.08 0.00 0.00 64.86 63.08 2amy h ILE 132 Cb 0.61 2.88 0.00 0.00 -1.09 0.00 0.00 36.82 39.22 2amy h ILE 132 CO -0.09 0.91 0.00 0.61 -1.08 0.00 0.00 178.15 178.49 2amy n GLY 133 N 1.48 2.07 0.17 8.18 0.00 -0.98 -0.36 105.19 115.74 2amy n GLY 133 Ca -0.06 -1.39 0.13 0.00 0.00 0.00 0.00 46.02 44.70 2amy n GLY 133 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2amy h ARG 134 N 0.00 0.00 0.00 1.61 3.08 -0.16 -2.63 114.38 116.28 2amy h ARG 134 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2amy h ARG 134 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2amy h ARG 134 CO 0.00 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.77 2amy n SER 135 N -2.43 0.00 -4.56 7.04 3.41 -0.94 -4.90 113.62 111.25 2amy n SER 135 Ca 0.01 0.08 -0.35 0.00 -0.26 0.00 0.00 58.87 58.35 2amy n SER 135 Cb 0.19 -0.36 0.09 0.00 -0.26 0.00 0.00 64.21 63.88 2amy n SER 135 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2amy s SER 137 N -1.73 3.02 0.20 0.00 1.04 -1.26 -4.80 113.70 110.18 2amy s SER 137 Ca 0.69 0.84 -0.10 0.00 0.48 0.00 0.00 55.95 57.85 2amy s SER 137 Cb -0.32 -1.31 0.24 0.00 0.10 0.00 0.00 66.02 64.74 2amy s SER 137 CO 0.55 -2.84 1.75 -0.61 0.98 0.00 0.00 173.24 173.07 2amy h GLN 138 N -1.70 0.42 -0.45 4.02 -0.00 -1.99 -0.27 115.11 115.14 2amy h GLN 138 Ca -0.49 -0.03 -0.10 0.00 -0.00 0.00 0.00 58.65 58.03 2amy h GLN 138 Cb 1.31 -0.09 -0.02 0.00 0.00 0.00 0.00 27.48 28.68 2amy h GLN 138 CO 0.55 0.28 -0.12 0.93 0.00 0.00 0.00 178.83 180.46 2amy h GLU 139 N 0.43 0.82 -0.36 1.69 3.07 -2.00 -1.49 114.58 116.75 2amy h GLU 139 Ca 0.29 -0.28 -0.06 0.00 -0.50 0.00 0.00 59.36 58.81 2amy h GLU 139 Cb 0.32 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 2amy h GLU 139 CO -0.27 0.90 -0.01 0.93 -1.40 0.00 0.00 179.01 179.16 2amy h GLU 140 N 0.73 0.63 -0.67 2.33 5.08 -1.86 -2.14 114.58 118.68 2amy h GLU 140 Ca 0.12 -0.21 0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2amy h GLU 140 Cb 0.62 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 2amy h GLU 140 CO 0.04 0.75 0.42 -0.09 -1.00 0.00 0.00 179.01 179.14 2amy h ARG 141 N 0.44 0.80 -0.49 2.33 2.43 -0.87 -1.30 114.38 117.73 2amy h ARG 141 Ca 0.10 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2amy h ARG 141 Cb 0.47 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 2amy h ARG 141 CO 0.02 0.53 0.31 0.82 -1.51 0.00 0.00 179.97 180.14 2amy h ILE 142 N 0.83 1.14 -0.20 1.20 1.08 -1.09 0.16 117.51 120.61 2amy h ILE 142 Ca 0.27 -0.28 0.04 0.00 -0.39 0.00 0.00 64.86 64.49 2amy h ILE 142 Cb 0.01 0.45 -0.03 0.00 -3.07 0.00 0.00 36.82 34.17 2amy h ILE 142 CO -0.10 0.14 -0.01 -0.08 -0.69 0.00 0.00 178.15 177.40 2amy h GLU 143 N 0.66 0.05 -0.54 2.37 4.81 -1.27 -0.89 114.58 119.77 2amy h GLU 143 Ca 0.18 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.43 2amy h GLU 143 Cb -0.05 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 2amy h GLU 143 CO -0.04 0.03 0.32 0.35 -0.73 0.00 0.00 179.01 178.95 2amy h PHE 144 N 0.05 0.60 -0.38 0.92 3.57 -0.68 -1.75 116.94 119.28 2amy h PHE 144 Ca 0.10 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 2amy h PHE 144 Cb 0.13 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 2amy h PHE 144 CO -0.19 0.34 0.03 -0.92 -2.23 0.00 0.00 178.31 175.34 2amy h TYR 145 N 0.64 0.60 -0.10 0.41 3.20 -0.32 0.38 116.97 121.78 2amy h TYR 145 Ca 0.22 -0.06 -0.23 0.00 3.14 0.00 0.00 58.73 61.80 2amy h TYR 145 Cb 0.02 -0.17 0.01 0.00 1.54 0.00 0.00 36.73 38.13 2amy h TYR 145 CO -0.06 0.56 -0.85 1.05 -1.64 0.00 0.00 178.16 177.22 2amy h GLU 146 N 0.56 0.69 -0.14 1.82 4.11 -0.82 -1.46 114.58 119.34 2amy h GLU 146 Ca 0.12 -0.62 0.03 0.00 0.07 0.00 0.00 59.36 58.97 2amy h GLU 146 Cb 0.32 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 2amy h GLU 146 CO 0.01 1.23 -0.07 1.25 0.07 0.00 0.00 179.01 181.49 2amy h LEU 147 N 0.45 -0.23 -0.87 3.06 5.85 -0.85 -2.66 115.31 120.05 2amy h LEU 147 Ca -0.07 0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.81 2amy h LEU 147 Cb 1.48 0.13 -0.08 0.00 0.37 0.00 0.00 40.66 42.56 2amy h LEU 147 CO 0.17 -0.10 0.52 -0.78 -0.34 0.00 0.00 178.44 177.91 2amy h ASP 148 N -0.06 0.75 -0.79 1.25 3.58 -0.15 0.17 116.42 121.16 2amy h ASP 148 Ca 0.08 0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.58 2amy h ASP 148 Cb 0.18 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.09 2amy h ASP 148 CO -0.18 0.42 0.52 0.11 -2.88 0.00 0.00 179.24 177.24 2amy h LYS 149 N 0.85 1.05 0.16 0.28 1.57 -1.02 1.27 116.57 120.73 2amy h LYS 149 Ca 0.42 -0.06 -0.22 0.00 -1.87 0.00 0.00 60.65 58.92 2amy h LYS 149 Cb 0.38 -0.24 0.03 0.00 0.08 0.00 0.00 32.23 32.48 2amy h LYS 149 CO -0.25 0.69 -0.95 -0.22 -0.57 0.00 0.00 179.45 178.15 2amy h LYS 150 N 1.08 0.35 0.00 3.15 3.64 -0.96 -3.38 116.57 120.44 2amy h LYS 150 Ca 0.29 -0.59 -0.08 0.00 -1.27 0.00 0.00 60.65 59.00 2amy h LYS 150 Cb -0.12 0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2amy h LYS 150 CO -0.06 1.28 -1.69 0.39 -2.27 0.00 0.00 179.45 177.11 2amy n GLU 151 N -4.04 0.64 -3.52 1.90 -0.58 0.49 -5.01 120.64 110.51 2amy n GLU 151 Ca -0.15 -0.01 -0.19 0.00 -0.42 0.00 0.00 57.16 56.39 2amy n GLU 151 Cb 0.88 -1.65 0.07 0.00 -0.57 0.00 0.00 31.44 30.16 2amy n GLU 151 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2amy n ASN 152 N -2.55 -2.14 0.08 1.62 4.13 0.44 -4.94 115.26 111.90 2amy n ASN 152 Ca -0.08 -0.71 -0.13 0.00 1.68 0.00 0.00 54.58 55.34 2amy n ASN 152 Cb 0.69 -4.70 -0.08 0.00 -1.54 0.00 0.00 39.78 34.15 2amy n ASN 152 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 2amy h ILE 153 N -1.82 0.98 0.09 2.41 1.08 -1.88 -2.40 117.51 115.97 2amy h ILE 153 Ca -0.60 -0.48 -0.00 0.00 -0.39 0.00 0.00 64.86 63.39 2amy h ILE 153 Cb 1.34 1.28 0.00 0.00 -3.07 0.00 0.00 36.82 36.37 2amy h ILE 153 CO 0.52 0.11 -0.04 0.03 -0.69 0.00 0.00 178.15 178.08 2amy h ARG 154 N -0.41 -0.12 -0.56 2.37 3.08 -1.92 -1.53 114.38 115.30 2amy h ARG 154 Ca -0.02 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.15 2amy h ARG 154 Cb 0.33 0.03 -0.11 0.00 0.08 0.00 0.00 29.97 30.30 2amy h ARG 154 CO 0.03 0.09 -0.14 0.37 -1.07 0.00 0.00 179.97 179.26 2amy h GLN 155 N -0.32 0.00 -0.74 0.04 4.15 -1.95 -1.10 115.11 115.21 2amy h GLN 155 Ca -0.01 -0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.35 2amy h GLN 155 Cb 0.27 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 2amy h GLN 155 CO 0.02 0.00 0.24 -0.22 -1.93 0.00 0.00 178.83 176.95 2amy h LYS 156 N 0.00 1.14 -0.13 1.69 3.64 -1.36 -0.28 116.57 121.27 2amy h LYS 156 Ca 0.27 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2amy h LYS 156 Cb 0.41 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 2amy h LYS 156 CO -0.57 0.96 0.06 0.35 -2.27 0.00 0.00 179.45 177.98 2amy h PHE 157 N 1.09 0.19 -0.49 1.91 3.04 -0.74 -0.68 116.94 121.26 2amy h PHE 157 Ca 0.24 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.17 2amy h PHE 157 Cb 0.29 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 38.72 2amy h PHE 157 CO 0.02 0.26 0.27 0.28 -2.02 0.00 0.00 178.31 177.12 2amy h VAL 158 N 0.07 1.17 -0.30 1.41 2.07 -1.04 0.15 116.25 119.77 2amy h VAL 158 Ca 0.04 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.16 2amy h VAL 158 Cb 0.14 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 2amy h VAL 158 CO -0.00 0.18 0.14 0.00 0.02 0.00 0.00 177.57 177.90 2amy h ALA 159 N 1.11 0.36 -0.41 1.67 0.00 -0.91 0.28 119.26 121.36 2amy h ALA 159 Ca 0.17 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.15 2amy h ALA 159 Cb 0.05 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 2amy h ALA 159 CO -0.03 -0.25 0.13 -0.44 0.00 0.00 0.00 179.25 178.66 2amy h ASP 160 N 0.29 0.13 -0.58 0.00 3.32 -0.28 -1.92 116.42 117.38 2amy h ASP 160 Ca 0.13 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.16 2amy h ASP 160 Cb 0.06 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 2amy h ASP 160 CO -0.10 0.11 0.12 -0.07 -1.72 0.00 0.00 179.24 177.57 2amy h LEU 161 N 0.29 0.94 -0.84 1.55 3.38 -0.53 -0.76 115.31 119.35 2amy h LEU 161 Ca 0.19 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2amy h LEU 161 Cb 0.19 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2amy h LEU 161 CO -0.21 0.93 0.30 -0.09 0.09 0.00 0.00 178.44 179.46 2amy h ARG 162 N 0.94 1.15 0.66 1.13 2.43 -0.60 -1.16 114.38 118.93 2amy h ARG 162 Ca 0.19 -0.21 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 2amy h ARG 162 Cb 0.38 -0.19 0.01 0.00 -0.42 0.00 0.00 29.97 29.75 2amy h ARG 162 CO 0.01 0.94 -0.32 -0.22 -1.51 0.00 0.00 179.97 178.87 2amy h LYS 163 N 1.12 -0.86 -0.99 0.20 3.64 -1.15 -2.83 116.57 115.71 2amy h LYS 163 Ca 0.26 0.06 0.28 0.00 -1.27 0.00 0.00 60.65 59.98 2amy h LYS 163 Cb 0.23 0.19 -0.14 0.00 -0.41 0.00 0.00 32.23 32.10 2amy h LYS 163 CO -0.02 -0.54 0.54 1.49 -2.27 0.00 0.00 179.45 178.65 2amy h GLU 164 N -1.15 0.39 -0.18 1.90 4.57 -1.02 -2.79 114.58 116.30 2amy h GLU 164 Ca -0.09 -0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 57.97 2amy h GLU 164 Cb 0.71 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 29.16 2amy h GLU 164 CO 0.15 0.26 -0.26 1.19 -1.18 0.00 0.00 179.01 179.17 2amy n PHE 165 N -5.01 0.57 -1.87 0.92 3.72 -0.45 -5.02 117.46 110.33 2amy n PHE 165 Ca 0.29 -1.52 -0.39 0.00 -0.05 0.00 0.00 57.45 55.78 2amy n PHE 165 Cb 0.86 -0.37 0.02 0.00 -0.94 0.00 0.00 39.48 39.05 2amy n PHE 165 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2amy s ALA 166 N -3.22 3.07 0.00 4.37 0.00 -1.05 -2.43 121.76 122.50 2amy s ALA 166 Ca 0.41 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.71 2amy s ALA 166 Cb 0.38 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.96 2amy s ALA 166 CO -0.03 -1.16 0.00 0.41 0.00 0.00 0.00 175.76 174.98 2amy n GLY 167 N 0.64 2.57 0.53 0.00 0.00 -1.26 -4.90 105.19 102.77 2amy n GLY 167 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 2amy n GLY 167 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2amy n LYS 168 N -2.00 1.73 -2.92 1.61 4.76 -1.02 -4.96 118.16 115.36 2amy n LYS 168 Ca 0.00 -1.07 -0.10 0.00 -2.87 0.00 0.00 58.31 54.27 2amy n LYS 168 Cb 0.00 -1.46 0.04 0.00 -1.84 0.00 0.00 35.03 31.77 2amy n LYS 168 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2amy n GLY 169 N 1.18 0.20 3.41 0.72 0.00 -1.26 -4.99 105.19 104.43 2amy n GLY 169 Ca 0.18 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 2amy n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2amy s LEU 170 N -4.00 2.42 0.26 0.99 1.43 -1.26 -1.71 118.68 116.81 2amy s LEU 170 Ca 0.20 -0.50 0.10 0.00 -1.03 0.00 0.00 54.13 52.90 2amy s LEU 170 Cb -0.09 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 2amy s LEU 170 CO 0.34 0.26 -0.06 -0.89 0.23 0.00 0.00 176.35 176.23 2amy s THR 171 N -0.88 3.21 0.12 5.49 2.01 -0.15 -4.79 115.64 120.65 2amy s THR 171 Ca 0.13 -2.00 0.09 0.00 0.31 0.00 0.00 61.69 60.23 2amy s THR 171 Cb -0.10 -2.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 2amy s THR 171 CO 0.04 -0.35 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.02 2amy s PHE 172 N -2.30 2.01 -0.25 4.92 0.08 -1.26 -1.94 117.98 119.24 2amy s PHE 172 Ca 0.30 -0.40 -0.05 0.00 0.12 0.00 0.00 56.93 56.90 2amy s PHE 172 Cb -0.06 -1.08 0.13 0.00 -0.57 0.00 0.00 43.02 41.44 2amy s PHE 172 CO 0.18 0.28 0.49 0.45 -0.10 0.00 0.00 175.22 176.53 2amy s SER 173 N -2.08 -0.54 -0.16 1.36 0.15 -0.05 -4.94 113.70 107.43 2amy s SER 173 Ca 0.11 0.90 -0.18 0.00 0.70 0.00 0.00 55.95 57.48 2amy s SER 173 Cb -0.09 1.66 -0.04 0.00 -1.71 0.00 0.00 66.02 65.83 2amy s SER 173 CO 0.05 -0.25 0.48 -0.63 1.20 0.00 0.00 173.24 174.09 2amy s ILE 174 N 2.71 5.16 0.37 6.45 1.01 -1.26 0.90 121.20 136.54 2amy s ILE 174 Ca 0.06 0.91 -0.12 0.00 0.00 0.00 0.00 60.65 61.49 2amy s ILE 174 Cb -0.13 -3.81 0.04 0.00 0.01 0.00 0.00 42.46 38.57 2amy s ILE 174 CO -0.16 0.26 0.70 -0.83 0.00 0.00 0.00 174.94 174.91 2amy s GLY 175 N 0.88 0.67 0.00 6.18 0.00 -1.23 -5.01 107.32 108.81 2amy s GLY 175 Ca 0.24 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 44.01 2amy s GLY 175 CO 0.09 -0.50 0.00 0.61 0.00 0.00 0.00 173.10 173.31 2amy n GLY 176 N -0.54 0.74 0.01 0.20 0.00 -1.26 -4.26 105.19 100.08 2amy n GLY 176 Ca -0.06 -0.77 0.03 0.00 0.00 0.00 0.00 46.02 45.23 2amy n GLY 176 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2amy n GLN 177 N 0.00 0.52 0.00 1.61 6.02 -1.26 -4.80 117.38 119.48 2amy n GLN 177 Ca 0.00 -0.07 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 2amy n GLN 177 Cb 0.00 -1.20 0.00 0.00 1.02 0.00 0.00 30.24 30.06 2amy n GLN 177 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 2amy n ILE 178 N -1.85 0.00 -4.09 5.09 -0.00 -1.26 -4.30 119.36 112.95 2amy n ILE 178 Ca -0.03 -0.21 -0.10 0.00 -0.00 0.00 0.00 62.75 62.40 2amy n ILE 178 Cb 0.28 1.34 -0.08 0.00 -0.00 0.00 0.00 39.64 41.18 2amy n ILE 178 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 2amy s SER 179 N -0.18 0.09 0.08 7.28 1.04 -1.26 -3.91 113.70 116.83 2amy s SER 179 Ca 0.00 -1.13 0.01 0.00 0.48 0.00 0.00 55.95 55.30 2amy s SER 179 Cb 0.00 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.51 2amy s SER 179 CO 0.00 -0.91 -0.05 0.72 0.98 0.00 0.00 173.24 173.98 2amy s PHE 180 N -4.07 0.73 -0.01 5.02 -0.12 -0.16 -3.56 117.98 115.82 2amy s PHE 180 Ca 0.28 -0.98 0.02 0.00 -0.05 0.00 0.00 56.93 56.20 2amy s PHE 180 Cb 0.04 -0.46 -0.04 0.00 -0.63 0.00 0.00 43.02 41.94 2amy s PHE 180 CO 0.07 -0.25 -0.01 -0.51 -0.05 0.00 0.00 175.22 174.47 2amy s ASP 181 N -2.98 5.01 -0.11 1.98 1.01 0.26 -1.12 116.67 120.72 2amy s ASP 181 Ca 0.10 -0.03 0.03 0.00 0.71 0.00 0.00 52.55 53.35 2amy s ASP 181 Cb 0.06 -1.28 0.01 0.00 1.01 0.00 0.00 42.92 42.72 2amy s ASP 181 CO -0.07 0.29 -0.20 -0.69 0.21 0.00 0.00 175.17 174.71 2amy s VAL 182 N -1.05 1.82 0.05 -1.27 1.01 -0.21 -0.87 120.40 119.87 2amy s VAL 182 Ca 0.19 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 61.13 2amy s VAL 182 Cb -0.11 -1.61 0.04 0.00 0.00 0.00 0.00 36.38 34.69 2amy s VAL 182 CO 0.09 0.50 0.42 0.72 0.00 0.00 0.00 175.10 176.84 2amy s PHE 183 N 0.72 -0.28 0.74 5.22 -0.12 -0.82 -0.35 117.98 123.09 2amy s PHE 183 Ca -0.11 0.24 -0.15 0.00 -0.05 0.00 0.00 56.93 56.86 2amy s PHE 183 Cb -0.16 0.23 0.04 0.00 -0.63 0.00 0.00 43.02 42.50 2amy s PHE 183 CO 0.02 -0.58 1.22 -2.14 -0.05 0.00 0.00 175.22 173.69 2amy s PRO 184 N -2.49 2.05 0.24 1.99 0.02 -1.26 -0.98 135.00 134.56 2amy s PRO 184 Ca -0.05 1.81 -0.31 0.00 0.02 0.00 0.00 61.00 62.47 2amy s PRO 184 Cb -0.01 -1.82 -0.13 0.00 0.02 0.00 0.00 34.50 32.57 2amy s PRO 184 CO -0.02 -1.92 1.55 -0.25 -0.33 0.00 0.00 177.00 176.02 2amy n ASP 185 N -2.76 3.38 0.00 2.53 8.00 -0.69 -1.65 116.55 125.36 2amy n ASP 185 Ca 0.14 1.12 0.00 0.00 0.71 0.00 0.00 54.79 56.76 2amy n ASP 185 Cb 0.50 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.09 2amy n ASP 185 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2amy n GLY 186 N 2.63 0.72 1.36 0.44 0.00 -1.26 -4.93 105.19 104.16 2amy n GLY 186 Ca 0.12 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.08 2amy n GLY 186 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2amy n TRP 187 N -2.53 0.67 -1.89 1.61 7.02 -0.66 -3.12 117.44 118.55 2amy n TRP 187 Ca 0.00 -0.95 0.00 0.00 -1.02 0.00 0.00 57.50 55.53 2amy n TRP 187 Cb 0.00 -0.47 0.00 0.00 -2.42 0.00 0.00 31.31 28.42 2amy n TRP 187 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 2amy n ASP 188 N 0.35 0.00 0.10 -0.99 5.75 -1.26 -4.87 116.55 115.62 2amy n ASP 188 Ca 0.13 -0.48 0.20 0.00 -0.01 0.00 0.00 54.79 54.64 2amy n ASP 188 Cb 0.70 0.00 0.75 0.00 -1.03 0.00 0.00 41.12 41.54 2amy n ASP 188 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 2amy h LYS 189 N 0.00 0.00 -0.97 0.11 1.57 -1.87 -0.75 116.57 114.67 2amy h LYS 189 Ca 0.00 0.00 0.26 0.00 -1.87 0.00 0.00 60.65 59.04 2amy h LYS 189 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 2amy h LYS 189 CO 0.00 0.00 0.67 0.00 -0.57 0.00 0.00 179.45 179.55 2amy h ARG 190 N 0.00 0.16 -0.87 3.15 3.08 -1.85 -2.51 114.38 115.54 2amy h ARG 190 Ca 0.19 -0.01 0.23 0.00 0.07 0.00 0.00 59.98 60.46 2amy h ARG 190 Cb 1.06 -0.04 -0.15 0.00 0.08 0.00 0.00 29.97 30.93 2amy h ARG 190 CO -0.00 0.11 0.13 -0.92 -1.07 0.00 0.00 179.97 178.22 2amy h TYR 191 N 0.16 0.17 0.00 3.04 3.20 -1.07 -1.60 116.97 120.87 2amy h TYR 191 Ca 0.49 0.06 0.00 0.00 3.14 0.00 0.00 58.73 62.41 2amy h TYR 191 Cb 1.63 0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.97 2amy h TYR 191 CO -0.00 -0.27 0.00 0.00 -1.64 0.00 0.00 178.16 176.25 2amy h LEU 193 N 0.00 0.00 -2.60 0.00 3.38 -1.49 -1.63 115.31 112.97 2amy h LEU 193 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2amy h LEU 193 Cb 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2amy h LEU 193 CO 0.00 0.37 0.02 0.08 0.09 0.00 0.00 178.44 179.00 2amy h ARG 194 N 0.00 0.00 -0.00 1.13 0.11 -1.71 -1.37 114.38 112.55 2amy h ARG 194 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2amy h ARG 194 Cb 0.76 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.84 2amy h ARG 194 CO 0.05 0.00 -0.36 0.72 0.10 0.00 0.00 179.97 180.48 2amy n HIS 195 N -3.61 0.00 -0.00 4.08 8.25 -0.61 -4.30 115.22 119.03 2amy n HIS 195 Ca -0.03 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.44 2amy n HIS 195 Cb 0.10 -0.31 -0.01 0.00 1.12 0.00 0.00 29.99 30.89 2amy n HIS 195 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2amy n VAL 196 N -1.46 0.00 1.47 1.59 0.24 -0.58 -4.79 118.33 114.81 2amy n VAL 196 Ca 0.06 -0.03 0.13 0.00 -2.04 0.00 0.00 64.34 62.46 2amy n VAL 196 Cb 0.33 0.39 0.73 0.00 -1.47 0.00 0.00 33.84 33.83 2amy n VAL 196 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 2amy n GLU 197 N -1.57 0.64 -0.28 7.34 0.28 -0.80 -2.25 120.64 124.00 2amy n GLU 197 Ca -0.00 0.02 0.08 0.00 -0.16 0.00 0.00 57.16 57.10 2amy n GLU 197 Cb 0.06 -1.50 0.18 0.00 1.43 0.00 0.00 31.44 31.61 2amy n GLU 197 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2amy n ASN 198 N -1.12 2.47 -1.18 -1.84 3.02 -1.26 -4.64 115.26 110.70 2amy n ASN 198 Ca 0.17 -3.29 0.08 0.00 -0.03 0.00 0.00 54.58 51.51 2amy n ASN 198 Cb 0.14 -0.48 0.30 0.00 -0.61 0.00 0.00 39.78 39.13 2amy n ASN 198 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2amy n ASP 199 N -1.22 4.41 0.00 6.41 8.00 -0.95 -4.97 116.55 128.23 2amy n ASP 199 Ca 0.19 -2.96 0.00 0.00 0.71 0.00 0.00 54.79 52.73 2amy n ASP 199 Cb 0.72 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 2amy n ASP 199 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2amy n GLY 200 N -0.13 0.69 3.73 0.44 0.00 -1.26 -5.02 105.19 103.64 2amy n GLY 200 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 2amy n GLY 200 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2amy s TYR 201 N -2.42 3.33 -0.31 1.61 2.02 -1.26 -4.68 117.35 115.64 2amy s TYR 201 Ca 0.00 1.22 0.20 0.00 -0.37 0.00 0.00 57.07 58.12 2amy s TYR 201 Cb 0.00 -3.55 0.17 0.00 -0.40 0.00 0.00 41.96 38.19 2amy s TYR 201 CO 0.00 -1.73 1.41 0.87 -1.57 0.00 0.00 175.55 174.53 2amy h LYS 202 N 5.97 0.00 -3.28 -0.62 6.56 -0.84 -3.45 116.57 120.91 2amy h LYS 202 Ca -0.43 0.00 -0.18 0.00 -1.06 0.00 0.00 60.65 58.98 2amy h LYS 202 Cb 1.21 0.00 -0.26 0.00 -0.57 0.00 0.00 32.23 32.62 2amy h LYS 202 CO 0.80 0.16 -0.49 0.99 -2.06 0.00 0.00 179.45 178.84 2amy s THR 203 N -3.15 0.01 -0.24 -0.16 2.01 -1.25 -4.87 115.64 107.99 2amy s THR 203 Ca 0.04 -0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.01 2amy s THR 203 Cb 0.07 -0.29 0.06 0.00 0.01 0.00 0.00 72.50 72.35 2amy s THR 203 CO 0.72 -0.03 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.93 2amy s ILE 204 N -0.00 1.72 0.15 1.82 1.01 -1.26 -1.97 121.20 122.67 2amy s ILE 204 Ca -0.01 -1.35 -0.18 0.00 0.00 0.00 0.00 60.65 59.11 2amy s ILE 204 Cb -0.02 -1.94 -0.07 0.00 0.01 0.00 0.00 42.46 40.44 2amy s ILE 204 CO 0.00 -0.08 0.62 -0.31 0.00 0.00 0.00 174.94 175.17 2amy s TYR 205 N 1.31 3.69 -0.11 3.97 2.02 0.40 -4.22 117.35 124.41 2amy s TYR 205 Ca -0.07 1.25 0.02 0.00 -0.37 0.00 0.00 57.07 57.91 2amy s TYR 205 Cb -0.19 -2.50 0.01 0.00 -0.40 0.00 0.00 41.96 38.87 2amy s TYR 205 CO -0.06 0.45 -0.18 0.12 -1.57 0.00 0.00 175.55 174.32 2amy s PHE 206 N -1.36 2.14 -0.25 2.71 5.36 -1.26 -0.21 117.98 125.11 2amy s PHE 206 Ca 0.37 -0.98 -0.02 0.00 -0.96 0.00 0.00 56.93 55.34 2amy s PHE 206 Cb -0.17 -1.50 0.02 0.00 -0.34 0.00 0.00 43.02 41.03 2amy s PHE 206 CO 0.20 -0.47 -0.05 -0.06 -1.46 0.00 0.00 175.22 173.38 2amy s PHE 207 N 0.80 3.05 0.00 10.12 0.08 0.20 0.14 117.98 132.38 2amy s PHE 207 Ca -0.10 -1.42 0.00 0.00 0.12 0.00 0.00 56.93 55.53 2amy s PHE 207 Cb -0.16 -2.08 0.00 0.00 -0.57 0.00 0.00 43.02 40.21 2amy s PHE 207 CO 0.01 -0.69 0.00 0.41 -0.10 0.00 0.00 175.22 174.85 2amy n GLY 208 N 4.70 1.47 3.74 4.36 0.00 -0.95 -0.90 105.19 117.62 2amy n GLY 208 Ca -0.17 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 2amy n GLY 208 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2amy s ASP 209 N 2.00 7.55 0.00 1.61 -0.00 -1.26 -1.08 116.67 125.49 2amy s ASP 209 Ca 0.00 1.86 0.26 0.00 -0.00 0.00 0.00 52.55 54.67 2amy s ASP 209 Cb 0.00 -2.60 0.70 0.00 -0.00 0.00 0.00 42.92 41.03 2amy s ASP 209 CO 0.00 0.01 1.54 2.29 -0.00 0.00 0.00 175.17 179.01 2amy n LYS 210 N 2.29 0.55 -4.17 8.23 2.85 -1.26 -4.65 118.16 122.00 2amy n LYS 210 Ca 0.01 -0.32 -0.13 0.00 -1.05 0.00 0.00 58.31 56.82 2amy n LYS 210 Cb 0.48 -1.49 -0.08 0.00 -0.65 0.00 0.00 35.03 33.29 2amy n LYS 210 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2amy s THR 211 N -2.66 0.00 0.00 0.58 2.01 -1.26 -2.33 115.64 111.97 2amy s THR 211 Ca 0.20 -1.87 0.00 0.00 0.31 0.00 0.00 61.69 60.33 2amy s THR 211 Cb 0.19 -2.46 0.00 0.00 0.01 0.00 0.00 72.50 70.23 2amy s THR 211 CO 0.58 0.00 0.00 0.59 -0.69 0.00 0.00 174.62 175.10 2amy n ASN 216 N -0.59 0.00 -3.64 3.53 4.13 -1.26 -4.82 115.26 112.62 2amy n ASN 216 Ca 0.02 0.00 -0.06 0.00 1.68 0.00 0.00 54.58 56.22 2amy n ASN 216 Cb 0.64 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.82 2amy n ASN 216 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2amy s ASP 217 N -2.88 -0.94 -0.20 6.41 -1.08 -1.26 -5.13 116.67 111.59 2amy s ASP 217 Ca 0.00 1.47 -0.22 0.00 -0.52 0.00 0.00 52.55 53.28 2amy s ASP 217 Cb 0.00 1.48 -0.02 0.00 -1.46 0.00 0.00 42.92 42.92 2amy s ASP 217 CO 0.00 -0.23 0.68 -1.00 0.52 0.00 0.00 175.17 175.14 2amy s HIS 218 N 1.76 3.37 0.26 -5.34 3.76 -0.98 -4.98 115.29 113.15 2amy s HIS 218 Ca -0.09 0.99 0.07 0.00 -0.15 0.00 0.00 55.06 55.88 2amy s HIS 218 Cb -0.06 -2.86 0.34 0.00 1.11 0.00 0.00 32.58 31.11 2amy s HIS 218 CO -0.20 -0.22 1.61 0.93 -0.85 0.00 0.00 174.74 176.02 2amy h GLU 219 N 7.51 0.17 -0.25 1.40 3.07 -1.94 -2.51 114.58 122.03 2amy h GLU 219 Ca -0.30 -0.11 -0.04 0.00 -0.50 0.00 0.00 59.36 58.41 2amy h GLU 219 Cb 1.14 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.04 2amy h GLU 219 CO 0.79 0.69 -0.02 0.97 -1.40 0.00 0.00 179.01 180.04 2amy h ILE 220 N 0.13 1.17 -0.72 3.13 2.10 -1.93 0.07 117.51 121.45 2amy h ILE 220 Ca -0.00 -0.68 -0.05 0.00 1.08 0.00 0.00 64.86 65.21 2amy h ILE 220 Cb 1.03 1.00 -0.03 0.00 -1.09 0.00 0.00 36.82 37.73 2amy h ILE 220 CO 0.08 0.23 0.27 0.15 -1.08 0.00 0.00 178.15 177.80 2amy h PHE 221 N 0.37 1.10 -0.01 2.19 3.57 -1.78 -3.13 116.94 119.26 2amy h PHE 221 Ca 0.08 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2amy h PHE 221 Cb 0.29 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.70 2amy h PHE 221 CO 0.01 0.85 -0.56 0.25 -2.23 0.00 0.00 178.31 176.63 2amy n THR 222 N -4.28 0.00 -1.81 4.41 -2.24 -0.77 -4.12 114.28 105.47 2amy n THR 222 Ca 0.06 -0.21 -0.41 0.00 -2.27 0.00 0.00 64.05 61.22 2amy n THR 222 Cb 0.19 1.19 -0.01 0.00 -2.10 0.00 0.00 70.33 69.60 2amy n THR 222 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2amy s ASP 223 N -2.57 6.37 0.65 3.42 -1.08 -0.06 -4.90 116.67 118.50 2amy s ASP 223 Ca 0.17 3.00 0.43 0.00 -0.52 0.00 0.00 52.55 55.63 2amy s ASP 223 Cb 0.18 -2.66 2.28 0.00 -1.46 0.00 0.00 42.92 41.26 2amy s ASP 223 CO 0.62 -0.88 2.32 1.55 0.52 0.00 0.00 175.17 179.31 2amy h PRO 224 N 3.65 0.00 0.00 4.34 0.13 -1.91 -2.32 132.00 135.89 2amy h PRO 224 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2amy h PRO 224 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2amy h PRO 224 CO 0.69 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.47 2amy h ARG 225 N 0.00 0.00 0.00 0.86 -0.00 -1.94 -3.52 114.38 109.78 2amy h ARG 225 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2amy h ARG 225 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.04 2amy h ARG 225 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 179.97 180.22 2amy n THR 226 N -2.84 0.00 -3.64 2.04 -2.24 -0.88 -4.05 114.28 102.67 2amy n THR 226 Ca 0.03 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.72 2amy n THR 226 Cb 0.43 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.59 2amy n THR 226 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2amy s GLY 228 N 0.00 -0.36 -0.12 3.38 0.00 -1.26 -4.86 107.32 104.10 2amy s GLY 228 Ca 0.00 2.50 0.00 0.00 0.00 0.00 0.00 44.72 47.22 2amy s GLY 228 CO 0.00 2.08 -0.11 -0.19 0.00 0.00 0.00 173.10 174.88 2amy s TYR 229 N 0.81 1.76 0.01 1.90 2.02 0.12 -4.92 117.35 119.05 2amy s TYR 229 Ca -0.03 -0.90 -0.21 0.00 -0.37 0.00 0.00 57.07 55.56 2amy s TYR 229 Cb -0.05 -1.36 -0.06 0.00 -0.40 0.00 0.00 41.96 40.10 2amy s TYR 229 CO -0.09 -0.54 0.61 -1.54 -1.57 0.00 0.00 175.55 172.42 2amy s SER 230 N 1.45 7.01 0.17 2.29 1.04 -1.26 -2.24 113.70 122.16 2amy s SER 230 Ca 0.02 1.20 0.10 0.00 0.48 0.00 0.00 55.95 57.75 2amy s SER 230 Cb -0.13 -2.37 -0.04 0.00 0.10 0.00 0.00 66.02 63.57 2amy s SER 230 CO -0.07 0.11 -0.21 0.68 0.98 0.00 0.00 173.24 174.73 2amy s VAL 231 N -0.29 2.03 -1.68 5.02 -7.23 -0.24 -4.91 120.40 113.11 2amy s VAL 231 Ca 0.31 -1.91 0.17 0.00 -1.81 0.00 0.00 61.98 58.74 2amy s VAL 231 Cb -0.19 -1.92 0.04 0.00 0.56 0.00 0.00 36.38 34.87 2amy s VAL 231 CO 0.18 -0.19 0.91 0.35 -0.31 0.00 0.00 175.10 176.05 2amy n THR 232 N 0.41 0.00 0.00 5.32 -2.24 -1.26 -4.57 114.28 111.94 2amy n THR 232 Ca -0.14 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 2amy n THR 232 Cb 0.56 1.24 0.00 0.00 -2.10 0.00 0.00 70.33 70.03 2amy n THR 232 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2amy n ALA 233 N 0.19 0.00 -0.10 6.98 0.00 -1.22 -5.00 120.51 121.36 2amy n ALA 233 Ca 0.08 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.62 2amy n ALA 233 Cb 0.37 0.00 0.46 0.00 0.00 0.00 0.00 19.45 20.28 2amy n ALA 233 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2amy h PRO 234 N 0.00 0.48 -0.52 0.00 0.11 -1.66 0.12 132.00 130.53 2amy h PRO 234 Ca 0.00 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 66.15 2amy h PRO 234 Cb 0.00 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 30.97 2amy h PRO 234 CO 0.00 0.32 0.35 0.93 -0.21 0.00 0.00 178.00 179.39 2amy h GLU 235 N 0.50 0.43 0.02 1.05 3.07 -1.95 -0.54 114.58 117.16 2amy h GLU 235 Ca 0.27 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 59.06 2amy h GLU 235 Cb 0.42 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 2amy h GLU 235 CO -0.08 0.28 -0.20 -0.44 -1.40 0.00 0.00 179.01 177.17 2amy h ASP 236 N 0.44 0.13 -0.82 1.42 5.19 -1.38 -2.07 116.42 119.33 2amy h ASP 236 Ca 0.23 -0.91 0.20 0.00 -0.62 0.00 0.00 57.03 55.93 2amy h ASP 236 Cb 0.34 -0.04 -0.13 0.00 0.18 0.00 0.00 39.33 39.68 2amy h ASP 236 CO -0.06 1.03 0.21 0.74 -3.12 0.00 0.00 179.24 178.04 2amy h THR 237 N -0.74 0.40 -0.40 0.35 2.02 -1.17 -0.19 112.91 113.18 2amy h THR 237 Ca -0.03 -0.08 -0.08 0.00 0.77 0.00 0.00 66.41 66.99 2amy h THR 237 Cb 1.08 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 2amy h THR 237 CO 0.04 0.04 -0.05 0.03 0.37 0.00 0.00 175.52 175.95 2amy h ARG 238 N 0.24 0.74 -0.07 6.66 3.08 -1.11 -0.08 114.38 123.84 2amy h ARG 238 Ca 0.49 -0.26 0.01 0.00 0.07 0.00 0.00 59.98 60.29 2amy h ARG 238 Cb 0.92 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 2amy h ARG 238 CO -0.59 0.86 0.00 -0.09 -1.07 0.00 0.00 179.97 179.07 2amy h ARG 239 N 0.56 0.03 -0.40 0.04 2.43 -0.78 0.49 114.38 116.75 2amy h ARG 239 Ca 0.11 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.18 2amy h ARG 239 Cb 0.55 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 2amy h ARG 239 CO 0.03 0.02 -0.13 0.82 -1.51 0.00 0.00 179.97 179.20 2amy h ILE 240 N 0.03 1.28 -0.59 1.20 2.04 -1.05 -1.89 117.51 118.53 2amy h ILE 240 Ca 0.03 -1.24 0.06 0.00 1.00 0.00 0.00 64.86 64.71 2amy h ILE 240 Cb 0.04 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 2amy h ILE 240 CO -0.06 0.42 0.39 0.00 0.00 0.00 0.00 178.15 178.90 2amy h GLU 242 N 0.57 0.85 -0.51 0.00 4.57 -0.71 -0.31 114.58 119.04 2amy h GLU 242 Ca 0.25 -0.27 -0.09 0.00 -1.18 0.00 0.00 59.36 58.08 2amy h GLU 242 Cb 0.27 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 2amy h GLU 242 CO -0.07 0.89 -0.03 1.25 -1.18 0.00 0.00 179.01 179.87 2amy h LEU 243 N 0.72 0.90 0.16 1.64 5.85 -0.56 -3.31 115.31 120.71 2amy h LEU 243 Ca 0.14 -0.32 -0.30 0.00 0.84 0.00 0.00 57.88 58.24 2amy h LEU 243 Cb 0.49 -0.24 0.01 0.00 0.37 0.00 0.00 40.66 41.29 2amy h LEU 243 CO 0.02 1.01 -1.42 -0.07 -0.34 0.00 0.00 178.44 177.64 2amy h LEU 244 N 0.78 0.51 0.00 2.25 4.07 -0.90 -3.48 115.31 118.55 2amy h LEU 244 Ca 0.14 -0.61 -0.65 0.00 0.08 0.00 0.00 57.88 56.84 2amy h LEU 244 Cb 0.56 -0.17 -0.10 0.00 1.08 0.00 0.00 40.66 42.03 2amy h LEU 244 CO 0.03 1.49 -0.42 0.49 -1.08 0.00 0.00 178.44 178.96 2amy n PHE 245 N -3.55 0.55 -0.26 1.13 3.72 -0.14 -5.10 117.46 113.81 2amy n PHE 245 Ca -0.14 -2.52 0.00 0.00 -0.05 0.00 0.00 57.45 54.74 2amy n PHE 245 Cb 1.05 -0.39 0.00 0.00 -0.94 0.00 0.00 39.48 39.20 2amy n PHE 245 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58