#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o61 s TYR 20 N 0.00 -0.38 0.27 1.61 -0.85 -0.57 -4.89 117.35 112.54 2o61 s TYR 20 Ca 0.00 0.71 -0.26 0.00 -0.52 0.00 0.00 57.07 57.00 2o61 s TYR 20 Cb 0.00 0.43 -0.09 0.00 0.38 0.00 0.00 41.96 42.68 2o61 s TYR 20 CO 0.00 -0.30 0.90 0.08 -1.52 0.00 0.00 175.55 174.71 2o61 s VAL 21 N -0.81 4.23 -0.02 -3.49 1.01 -1.26 -1.43 120.40 118.62 2o61 s VAL 21 Ca -0.00 1.83 0.00 0.00 0.00 0.00 0.00 61.98 63.81 2o61 s VAL 21 Cb -0.01 -4.10 0.03 0.00 0.00 0.00 0.00 36.38 32.30 2o61 s VAL 21 CO -0.01 0.29 0.01 -0.70 0.00 0.00 0.00 175.10 174.69 2o61 s GLU 22 N -1.71 0.15 -0.10 2.72 2.12 -0.13 -4.95 118.70 116.79 2o61 s GLU 22 Ca 0.45 0.11 -0.27 0.00 0.36 0.00 0.00 54.97 55.63 2o61 s GLU 22 Cb -0.21 -0.36 -0.02 0.00 0.26 0.00 0.00 34.13 33.80 2o61 s GLU 22 CO 0.26 -0.14 0.86 0.42 -0.54 0.00 0.00 175.26 176.13 2o61 s ILE 23 N 0.96 4.89 -0.15 -3.70 1.01 -1.26 0.18 121.20 123.13 2o61 s ILE 23 Ca -0.09 1.75 0.17 0.00 0.00 0.00 0.00 60.65 62.48 2o61 s ILE 23 Cb -0.12 -4.18 -0.24 0.00 0.01 0.00 0.00 42.46 37.93 2o61 s ILE 23 CO -0.02 0.09 0.13 -0.38 0.00 0.00 0.00 174.94 174.76 2o61 n ILE 24 N 4.35 1.02 -3.75 2.92 2.08 0.15 -4.83 119.36 121.30 2o61 n ILE 24 Ca 0.04 -0.71 -0.28 0.00 0.56 0.00 0.00 62.75 62.37 2o61 n ILE 24 Cb 0.50 -0.42 -0.16 0.00 -0.75 0.00 0.00 39.64 38.80 2o61 n ILE 24 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 2o61 s GLU 25 N -2.60 0.71 0.65 0.38 2.56 -0.96 -4.95 118.70 114.50 2o61 s GLU 25 Ca -0.09 -0.48 -0.12 0.00 0.00 0.00 0.00 54.97 54.28 2o61 s GLU 25 Cb 0.07 -2.13 -0.01 0.00 2.00 0.00 0.00 34.13 34.05 2o61 s GLU 25 CO 0.75 -0.65 1.05 -0.65 -0.56 0.00 0.00 175.26 175.20 2o61 s GLN 26 N 1.82 3.16 0.36 4.30 -1.52 -1.26 -1.83 119.66 124.69 2o61 s GLN 26 Ca -0.01 1.00 -0.23 0.00 -1.95 0.00 0.00 55.36 54.17 2o61 s GLN 26 Cb -0.17 -2.02 -0.10 0.00 -0.22 0.00 0.00 33.01 30.50 2o61 s GLN 26 CO -0.09 -0.92 0.91 -1.25 -0.25 0.00 0.00 175.29 173.69 2o61 s PRO 27 N -4.75 4.37 0.25 2.91 0.04 -1.26 0.26 135.00 136.81 2o61 s PRO 27 Ca 0.59 1.15 -0.31 0.00 0.04 0.00 0.00 61.00 62.47 2o61 s PRO 27 Cb -0.14 -2.53 -0.12 0.00 0.04 0.00 0.00 34.50 31.75 2o61 s PRO 27 CO 0.49 0.16 1.57 1.17 0.04 0.00 0.00 177.00 180.42 2o61 n LYS 28 N 0.02 2.48 -0.02 4.56 0.00 -0.16 -4.20 118.16 120.84 2o61 n LYS 28 Ca 0.04 0.88 -0.12 0.00 0.00 0.00 0.00 58.31 59.11 2o61 n LYS 28 Cb 0.52 -2.64 -0.10 0.00 0.00 0.00 0.00 35.03 32.81 2o61 n LYS 28 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 2o61 h GLN 29 N 5.12 -0.06 -6.15 1.64 4.20 -1.92 -3.45 115.11 114.50 2o61 h GLN 29 Ca -0.46 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 57.74 2o61 h GLN 29 Cb 1.24 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.97 2o61 h GLN 29 CO 0.82 0.58 -0.51 1.03 -0.67 0.00 0.00 178.83 180.09 2o61 s ARG 30 N -3.03 2.56 0.00 1.46 3.00 -1.26 -1.23 118.95 120.45 2o61 s ARG 30 Ca -0.15 -1.39 0.00 0.00 0.00 0.00 0.00 55.73 54.19 2o61 s ARG 30 Cb -0.01 -2.33 0.00 0.00 0.00 0.00 0.00 34.95 32.61 2o61 s ARG 30 CO 0.58 0.15 0.00 0.41 0.00 0.00 0.00 175.30 176.44 2o61 n GLY 31 N -1.23 2.09 3.59 -3.53 0.00 -1.26 -5.02 105.19 99.83 2o61 n GLY 31 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 2o61 n GLY 31 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2o61 s MET 32 N -0.06 3.75 0.29 1.61 -2.45 -1.26 -4.83 119.30 116.36 2o61 s MET 32 Ca 0.00 -0.42 -0.05 0.00 -1.25 0.00 0.00 55.69 53.97 2o61 s MET 32 Cb 0.00 -3.05 -0.05 0.00 1.25 0.00 0.00 34.83 32.98 2o61 s MET 32 CO 0.00 0.31 0.56 -0.98 1.05 0.00 0.00 175.02 175.96 2o61 s ARG 33 N 0.21 3.64 0.70 4.11 1.70 -1.26 -1.63 118.95 126.41 2o61 s ARG 33 Ca 0.01 0.02 -0.11 0.00 -0.47 0.00 0.00 55.73 55.18 2o61 s ARG 33 Cb -0.13 -2.64 0.01 0.00 -0.57 0.00 0.00 34.95 31.62 2o61 s ARG 33 CO 0.01 0.21 1.07 -0.06 -1.08 0.00 0.00 175.30 175.45 2o61 s PHE 34 N -2.09 3.22 0.01 5.89 2.99 -1.26 -4.84 117.98 121.89 2o61 s PHE 34 Ca 0.44 1.28 0.07 0.00 0.00 0.00 0.00 56.93 58.72 2o61 s PHE 34 Cb -0.11 -2.92 -0.02 0.00 0.00 0.00 0.00 43.02 39.98 2o61 s PHE 34 CO 0.30 -1.20 -0.21 1.03 -0.00 0.00 0.00 175.22 175.14 2o61 s ARG 35 N -5.15 1.55 0.20 0.44 1.81 -1.09 -4.92 118.95 111.80 2o61 s ARG 35 Ca 0.58 -0.83 -0.16 0.00 -1.72 0.00 0.00 55.73 53.60 2o61 s ARG 35 Cb -0.13 -1.58 -0.08 0.00 -0.45 0.00 0.00 34.95 32.72 2o61 s ARG 35 CO 0.54 0.42 0.63 0.71 -0.68 0.00 0.00 175.30 176.92 2o61 s TYR 36 N -0.62 3.59 0.34 -0.53 1.51 -1.26 -0.41 117.35 119.95 2o61 s TYR 36 Ca 0.08 1.18 0.13 0.00 -1.01 0.00 0.00 57.07 57.44 2o61 s TYR 36 Cb -0.08 -2.46 1.02 0.00 -0.11 0.00 0.00 41.96 40.32 2o61 s TYR 36 CO 0.00 0.35 1.69 -0.22 -1.11 0.00 0.00 175.55 176.27 2o61 h LYS 37 N 3.31 0.41 -0.22 -0.62 3.64 -1.95 0.46 116.57 121.60 2o61 h LYS 37 Ca -0.48 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 58.94 2o61 h LYS 37 Cb 1.19 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 2o61 h LYS 37 CO 0.66 0.27 0.21 0.00 -2.27 0.00 0.00 179.45 178.32 2o61 h GLU 39 N 0.00 0.20 0.00 0.00 5.08 -0.47 -3.46 114.58 115.93 2o61 h GLU 39 Ca 0.10 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2o61 h GLU 39 Cb 0.52 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2o61 h GLU 39 CO -0.00 1.05 0.00 0.41 -1.00 0.00 0.00 179.01 179.47 2o61 n GLY 40 N 1.62 1.78 7.00 -3.84 0.00 0.54 -4.81 105.19 107.48 2o61 n GLY 40 Ca -0.15 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.35 2o61 n GLY 40 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2o61 n ARG 41 N 3.71 0.00 -2.95 1.61 0.63 -1.26 -4.10 116.66 114.30 2o61 n ARG 41 Ca 0.00 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.50 2o61 n ARG 41 Cb 0.00 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 32.86 2o61 n ARG 41 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2o61 s SER 42 N -4.00 6.37 -0.48 6.15 0.15 -1.26 -4.94 113.70 115.69 2o61 s SER 42 Ca 0.00 -0.25 0.07 0.00 0.70 0.00 0.00 55.95 56.47 2o61 s SER 42 Cb 0.00 -2.39 0.39 0.00 -1.71 0.00 0.00 66.02 62.31 2o61 s SER 42 CO 0.00 -0.99 1.00 0.00 1.20 0.00 0.00 173.24 174.45 2o61 n ALA 43 N 6.85 4.54 -0.17 5.45 0.00 -1.26 -5.11 120.51 130.81 2o61 n ALA 43 Ca 0.01 -4.31 0.00 0.00 0.00 0.00 0.00 53.44 49.15 2o61 n ALA 43 Cb 0.48 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.25 2o61 n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2o61 n GLY 44 N -0.29 0.17 3.29 0.00 0.00 -1.26 -4.96 105.19 102.14 2o61 n GLY 44 Ca 0.32 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 2o61 n GLY 44 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2o61 s SER 45 N -4.00 0.08 -0.16 1.61 1.04 -1.26 -4.63 113.70 106.37 2o61 s SER 45 Ca 0.00 -0.81 -0.31 0.00 0.48 0.00 0.00 55.95 55.30 2o61 s SER 45 Cb 0.00 0.40 -0.08 0.00 0.10 0.00 0.00 66.02 66.43 2o61 s SER 45 CO 0.00 -0.83 2.09 -0.38 0.98 0.00 0.00 173.24 175.10 2o61 n ILE 46 N -0.16 0.46 -1.50 -1.02 5.41 0.12 -4.96 119.36 117.72 2o61 n ILE 46 Ca -0.10 -0.28 -0.29 0.00 1.00 0.00 0.00 62.75 63.08 2o61 n ILE 46 Cb 0.63 -2.21 0.11 0.00 -0.71 0.00 0.00 39.64 37.46 2o61 n ILE 46 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2o61 s PRO 47 N 5.44 1.63 0.04 0.38 0.02 -1.26 -4.40 135.00 136.86 2o61 s PRO 47 Ca 0.98 0.54 -0.03 0.00 0.02 0.00 0.00 61.00 62.50 2o61 s PRO 47 Cb -0.52 -1.87 -0.05 0.00 0.02 0.00 0.00 34.50 32.08 2o61 s PRO 47 CO 0.43 -1.91 0.25 0.20 -0.33 0.00 0.00 177.00 175.64 2o61 s GLY 48 N -3.88 2.21 0.06 0.52 0.00 0.00 -0.99 107.32 105.24 2o61 s GLY 48 Ca 0.62 -0.69 -0.03 0.00 0.00 0.00 0.00 44.72 44.62 2o61 s GLY 48 CO 0.54 -0.59 0.36 -2.21 0.00 0.00 0.00 173.10 171.20 2o61 n GLU 49 N 0.65 -0.04 -0.27 2.90 2.13 0.72 0.49 120.64 127.23 2o61 n GLU 49 Ca -0.08 0.36 0.04 0.00 0.66 0.00 0.00 57.16 58.14 2o61 n GLU 49 Cb 0.52 -0.53 0.16 0.00 0.27 0.00 0.00 31.44 31.86 2o61 n GLU 49 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2o61 n ARG 50 N -4.36 2.18 -2.16 5.31 1.74 -1.26 -4.77 116.66 113.35 2o61 n ARG 50 Ca 0.03 -1.26 -0.38 0.00 -0.77 0.00 0.00 57.85 55.47 2o61 n ARG 50 Cb 0.10 -1.52 -0.01 0.00 -1.02 0.00 0.00 32.46 30.02 2o61 n ARG 50 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2o61 s SER 51 N -0.70 6.21 0.48 0.55 0.01 0.18 -4.83 113.70 115.60 2o61 s SER 51 Ca 0.23 2.46 0.02 0.00 1.31 0.00 0.00 55.95 59.97 2o61 s SER 51 Cb 0.14 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 63.74 2o61 s SER 51 CO 0.11 -0.90 0.05 0.42 0.41 0.00 0.00 173.24 173.33 2o61 s THR 52 N -1.40 0.92 0.31 1.44 -4.23 0.12 -4.98 115.64 107.82 2o61 s THR 52 Ca 0.61 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.17 2o61 s THR 52 Cb -0.33 -2.19 0.08 0.00 1.34 0.00 0.00 72.50 71.39 2o61 s THR 52 CO 0.41 0.00 1.76 0.44 -0.54 0.00 0.00 174.62 176.69 2o61 h ASP 53 N 1.49 0.34 0.70 3.99 3.32 -2.04 -3.12 116.42 121.09 2o61 h ASP 53 Ca -0.41 -0.11 -0.18 0.00 0.02 0.00 0.00 57.03 56.35 2o61 h ASP 53 Cb 1.30 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.73 2o61 h ASP 53 CO 0.67 0.62 -1.42 0.71 -1.72 0.00 0.00 179.24 178.10 2o61 h THR 54 N 0.30 0.54 -3.25 0.35 1.35 -2.01 -3.45 112.91 106.73 2o61 h THR 54 Ca 0.04 -2.07 -0.49 0.00 -0.55 0.00 0.00 66.41 63.35 2o61 h THR 54 Cb 0.66 2.08 -0.39 0.00 -1.73 0.00 0.00 68.15 68.76 2o61 h THR 54 CO 0.05 0.31 -0.76 -0.89 -0.25 0.00 0.00 175.52 173.97 2o61 s THR 55 N -2.89 0.44 -0.03 6.82 2.01 -1.18 -5.13 115.64 115.68 2o61 s THR 55 Ca -0.03 -0.31 -0.15 0.00 0.31 0.00 0.00 61.69 61.51 2o61 s THR 55 Cb 0.09 -0.84 -0.05 0.00 0.01 0.00 0.00 72.50 71.70 2o61 s THR 55 CO 0.81 -0.06 0.41 -0.75 -0.69 0.00 0.00 174.62 174.34 2o61 s LYS 56 N 1.91 4.00 0.47 4.92 2.20 -1.26 0.13 119.74 132.11 2o61 s LYS 56 Ca 0.01 0.39 0.04 0.00 -0.36 0.00 0.00 55.97 56.06 2o61 s LYS 56 Cb -0.15 -3.26 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 2o61 s LYS 56 CO -0.07 0.59 0.05 0.95 -0.36 0.00 0.00 175.35 176.51 2o61 s THR 57 N -0.73 1.60 0.07 3.43 -4.23 -1.26 -4.99 115.64 109.52 2o61 s THR 57 Ca 0.23 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 58.82 2o61 s THR 57 Cb -0.16 -2.53 -0.04 0.00 1.34 0.00 0.00 72.50 71.11 2o61 s THR 57 CO 0.12 0.00 -0.05 -1.00 -0.54 0.00 0.00 174.62 173.15 2o61 s HIS 58 N -2.78 0.67 0.17 3.99 0.09 -1.26 -0.82 115.29 115.35 2o61 s HIS 58 Ca 0.21 -0.95 -0.33 0.00 -0.00 0.00 0.00 55.06 53.99 2o61 s HIS 58 Cb 0.04 -0.43 -0.15 0.00 -0.00 0.00 0.00 32.58 32.04 2o61 s HIS 58 CO 0.11 -0.26 1.42 -2.30 -0.00 0.00 0.00 174.74 173.71 2o61 n PRO 59 N 0.19 1.77 -3.78 8.40 -0.02 -1.24 -4.69 135.00 135.62 2o61 n PRO 59 Ca -0.14 0.63 -0.13 0.00 -2.02 0.00 0.00 63.50 61.84 2o61 n PRO 59 Cb 0.60 -2.30 -0.14 0.00 -0.02 0.00 0.00 33.50 31.64 2o61 n PRO 59 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2o61 s THR 60 N 0.37 -0.03 0.23 3.45 2.01 -0.76 -1.93 115.64 118.98 2o61 s THR 60 Ca 0.76 0.11 0.10 0.00 0.31 0.00 0.00 61.69 62.97 2o61 s THR 60 Cb -0.75 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 71.51 2o61 s THR 60 CO 0.45 0.04 -0.09 0.27 -0.69 0.00 0.00 174.62 174.61 2o61 s ILE 61 N 0.71 3.10 -0.05 1.82 -4.36 -0.13 0.31 121.20 122.60 2o61 s ILE 61 Ca -0.05 -1.91 0.04 0.00 -0.26 0.00 0.00 60.65 58.46 2o61 s ILE 61 Cb -0.07 -2.60 0.00 0.00 1.25 0.00 0.00 42.46 41.04 2o61 s ILE 61 CO -0.03 -0.26 -0.16 -0.75 0.24 0.00 0.00 174.94 173.98 2o61 s LYS 62 N -3.25 1.83 -0.71 0.37 2.20 0.13 -0.38 119.74 119.94 2o61 s LYS 62 Ca 0.28 -0.57 -0.10 0.00 -0.36 0.00 0.00 55.97 55.22 2o61 s LYS 62 Cb -0.07 -1.55 0.19 0.00 -1.51 0.00 0.00 37.83 34.88 2o61 s LYS 62 CO 0.16 0.18 0.60 0.42 -0.36 0.00 0.00 175.35 176.36 2o61 s ILE 63 N 0.21 4.82 0.24 5.43 1.01 0.21 -0.95 121.20 132.16 2o61 s ILE 63 Ca -0.07 -2.53 -0.31 0.00 0.00 0.00 0.00 60.65 57.74 2o61 s ILE 63 Cb -0.13 -4.04 -0.11 0.00 0.01 0.00 0.00 42.46 38.19 2o61 s ILE 63 CO 0.03 -0.95 1.59 0.20 0.00 0.00 0.00 174.94 175.81 2o61 s ASN 64 N 1.78 6.47 -0.27 3.58 0.01 -0.51 -3.44 114.94 122.56 2o61 s ASN 64 Ca 0.16 2.81 -0.00 0.00 -0.71 0.00 0.00 52.86 55.11 2o61 s ASN 64 Cb -0.16 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 38.88 2o61 s ASN 64 CO -0.06 -0.87 0.00 0.61 -1.51 0.00 0.00 177.10 175.28 2o61 n GLY 65 N 2.90 0.25 3.65 0.66 0.00 -1.26 -1.52 105.19 109.87 2o61 n GLY 65 Ca 0.11 -0.75 -0.03 0.00 0.00 0.00 0.00 46.02 45.35 2o61 n GLY 65 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2o61 s TYR 66 N -2.18 -0.06 -0.27 1.61 6.14 -1.22 -4.48 117.35 116.90 2o61 s TYR 66 Ca 0.00 0.14 -0.01 0.00 0.64 0.00 0.00 57.07 57.84 2o61 s TYR 66 Cb -0.00 0.48 0.15 0.00 0.42 0.00 0.00 41.96 43.01 2o61 s TYR 66 CO 0.00 -0.03 0.40 0.99 0.64 0.00 0.00 175.55 177.56 2o61 s THR 67 N 0.01 -0.63 -1.83 4.34 2.01 -1.26 -4.78 115.64 113.49 2o61 s THR 67 Ca 0.07 -0.17 0.00 0.00 0.31 0.00 0.00 61.69 61.91 2o61 s THR 67 Cb -0.05 -0.90 0.00 0.00 0.01 0.00 0.00 72.50 71.56 2o61 s THR 67 CO -0.16 -0.19 0.00 0.61 -0.69 0.00 0.00 174.62 174.20 2o61 n GLY 68 N 5.36 -1.32 3.33 4.40 0.00 -1.21 -4.90 105.19 110.85 2o61 n GLY 68 Ca -0.02 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.70 2o61 n GLY 68 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2o61 n PRO 69 N -0.02 -0.55 -3.99 1.61 -0.04 -1.26 -4.34 135.00 126.41 2o61 n PRO 69 Ca 0.00 -0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 2o61 n PRO 69 Cb 0.00 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 2o61 n PRO 69 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2o61 n GLY 70 N 1.90 -1.93 3.12 0.55 0.00 -1.26 -4.56 105.19 103.00 2o61 n GLY 70 Ca 0.04 -1.26 -0.09 0.00 0.00 0.00 0.00 46.02 44.71 2o61 n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2o61 s THR 71 N -2.65 0.14 -0.04 2.61 2.01 -0.74 -2.00 115.64 114.98 2o61 s THR 71 Ca 0.00 -1.15 -0.02 0.00 0.31 0.00 0.00 61.69 60.83 2o61 s THR 71 Cb 0.00 -0.97 0.03 0.00 0.01 0.00 0.00 72.50 71.57 2o61 s THR 71 CO 0.00 -0.64 0.05 -0.69 -0.69 0.00 0.00 174.62 172.65 2o61 s VAL 72 N -2.79 -0.07 -0.14 3.82 1.01 -0.34 -0.84 120.40 121.05 2o61 s VAL 72 Ca -0.03 0.37 -0.01 0.00 0.00 0.00 0.00 61.98 62.30 2o61 s VAL 72 Cb -0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 36.21 2o61 s VAL 72 CO -0.05 0.16 -0.10 -0.60 0.00 0.00 0.00 175.10 174.51 2o61 s ARG 73 N 1.92 3.49 -0.20 2.72 3.52 -0.80 -1.63 118.95 127.96 2o61 s ARG 73 Ca 0.02 -0.63 -0.00 0.00 -0.13 0.00 0.00 55.73 54.99 2o61 s ARG 73 Cb -0.12 -2.73 0.01 0.00 -1.56 0.00 0.00 34.95 30.55 2o61 s ARG 73 CO -0.03 0.22 -0.15 0.42 -0.81 0.00 0.00 175.30 174.95 2o61 s ILE 74 N 0.36 2.44 0.46 4.11 1.01 0.11 -0.22 121.20 129.48 2o61 s ILE 74 Ca -0.08 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 59.75 2o61 s ILE 74 Cb -0.15 -2.07 -0.02 0.00 0.01 0.00 0.00 42.46 40.22 2o61 s ILE 74 CO 0.05 0.48 0.05 -0.94 0.00 0.00 0.00 174.94 174.58 2o61 s SER 75 N 1.34 3.54 -0.12 3.58 1.04 -0.64 -0.96 113.70 121.47 2o61 s SER 75 Ca 0.05 -1.63 -0.04 0.00 0.48 0.00 0.00 55.95 54.81 2o61 s SER 75 Cb -0.14 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.37 2o61 s SER 75 CO -0.10 -0.84 0.03 -0.76 0.98 0.00 0.00 173.24 172.55 2o61 s LEU 76 N -3.75 3.68 0.08 2.42 1.02 -1.26 -0.93 118.68 119.94 2o61 s LEU 76 Ca 0.16 0.13 -0.00 0.00 0.02 0.00 0.00 54.13 54.43 2o61 s LEU 76 Cb 0.03 -1.88 -0.04 0.00 0.02 0.00 0.00 46.19 44.32 2o61 s LEU 76 CO 0.09 0.30 -0.02 0.68 0.02 0.00 0.00 176.35 177.41 2o61 s VAL 77 N -0.40 0.35 0.42 -1.59 -7.23 -0.56 -1.71 120.40 109.68 2o61 s VAL 77 Ca 0.08 -1.87 -0.25 0.00 -1.81 0.00 0.00 61.98 58.14 2o61 s VAL 77 Cb -0.12 -1.68 -0.10 0.00 0.56 0.00 0.00 36.38 35.04 2o61 s VAL 77 CO 0.02 -0.86 1.09 0.41 -0.31 0.00 0.00 175.10 175.45 2o61 n THR 78 N 0.02 2.50 -0.23 5.32 -1.04 0.58 -1.42 114.28 120.01 2o61 n THR 78 Ca -0.12 -0.50 -0.08 0.00 -2.04 0.00 0.00 64.05 61.31 2o61 n THR 78 Cb 0.61 -1.27 0.04 0.00 -1.82 0.00 0.00 70.33 67.90 2o61 n THR 78 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2o61 h LYS 79 N 1.69 1.11 -6.30 -2.82 3.64 -1.89 -3.42 116.57 108.57 2o61 h LYS 79 Ca -0.45 -0.30 -0.55 0.00 -1.27 0.00 0.00 60.65 58.08 2o61 h LYS 79 Cb 1.33 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 2o61 h LYS 79 CO 0.58 1.02 -0.24 -0.51 -2.27 0.00 0.00 179.45 178.02 2o61 s ASP 80 N -6.52 6.47 0.00 4.20 -0.00 -1.26 -4.98 116.67 114.59 2o61 s ASP 80 Ca -0.12 0.63 0.00 0.00 -0.00 0.00 0.00 52.55 53.06 2o61 s ASP 80 Cb 0.14 -2.11 0.00 0.00 -0.00 0.00 0.00 42.92 40.96 2o61 s ASP 80 CO 0.85 -0.05 0.00 -2.65 -0.00 0.00 0.00 175.17 173.32 2o61 n PRO 81 N -0.38 0.00 -2.22 8.23 -0.02 -1.26 -3.08 135.00 136.27 2o61 n PRO 81 Ca -0.02 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.13 2o61 n PRO 81 Cb 0.53 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.97 2o61 n PRO 81 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2o61 s PRO 82 N -2.31 2.93 -0.20 0.52 0.02 -1.26 -4.74 135.00 129.95 2o61 s PRO 82 Ca 0.00 -1.19 -0.18 0.00 0.02 0.00 0.00 61.00 59.65 2o61 s PRO 82 Cb 0.00 -5.29 -0.20 0.00 0.02 0.00 0.00 34.50 29.04 2o61 s PRO 82 CO 0.00 -3.34 1.51 0.72 -0.33 0.00 0.00 177.00 175.55 2o61 n HIS 83 N 12.52 0.41 -1.55 6.54 8.25 -1.18 -4.76 115.22 135.45 2o61 n HIS 83 Ca 0.44 -0.84 -0.31 0.00 -0.26 0.00 0.00 57.72 56.75 2o61 n HIS 83 Cb 0.47 -0.94 0.06 0.00 1.12 0.00 0.00 29.99 30.70 2o61 n HIS 83 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2o61 s ARG 84 N 5.73 2.80 0.00 -0.41 0.52 -1.26 -4.57 118.95 121.75 2o61 s ARG 84 Ca 0.43 1.05 -0.30 0.00 -0.52 0.00 0.00 55.73 56.39 2o61 s ARG 84 Cb 0.10 -1.97 -0.07 0.00 0.52 0.00 0.00 34.95 33.53 2o61 s ARG 84 CO 0.17 -1.21 1.68 -2.14 0.02 0.00 0.00 175.30 173.81 2o61 s PRO 85 N -4.87 4.19 0.50 3.54 0.02 -1.26 -0.31 135.00 136.81 2o61 s PRO 85 Ca 0.60 2.27 -0.21 0.00 0.02 0.00 0.00 61.00 63.68 2o61 s PRO 85 Cb -0.15 -3.86 -0.07 0.00 0.02 0.00 0.00 34.50 30.44 2o61 s PRO 85 CO 0.53 -0.81 1.11 -1.58 -0.33 0.00 0.00 177.00 175.92 2o61 s HIS 86 N 3.54 2.84 0.30 6.54 2.46 -0.70 -4.78 115.29 125.49 2o61 s HIS 86 Ca 0.75 1.56 0.14 0.00 0.47 0.00 0.00 55.06 57.97 2o61 s HIS 86 Cb -0.36 -3.25 0.62 0.00 -0.13 0.00 0.00 32.58 29.46 2o61 s HIS 86 CO 0.32 -1.32 1.75 -1.00 -2.47 0.00 0.00 174.74 172.02 2o61 h PRO 87 N 1.58 0.00 -7.25 2.88 0.13 -1.92 -3.45 132.00 123.98 2o61 h PRO 87 Ca -0.50 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.20 2o61 h PRO 87 Cb 1.25 0.00 0.19 0.00 0.13 0.00 0.00 31.00 32.57 2o61 h PRO 87 CO 0.59 0.45 0.07 -1.01 -0.23 0.00 0.00 178.00 177.87 2o61 s HIS 88 N -3.88 1.29 0.02 1.56 3.76 -1.26 -4.71 115.29 112.07 2o61 s HIS 88 Ca -0.02 0.92 0.00 0.00 -0.15 0.00 0.00 55.06 55.82 2o61 s HIS 88 Cb 0.13 -3.18 -0.02 0.00 1.11 0.00 0.00 32.58 30.62 2o61 s HIS 88 CO 0.72 -3.68 -0.03 -1.83 -0.85 0.00 0.00 174.74 169.07 2o61 s GLU 89 N -4.84 0.30 0.28 1.40 -1.05 -0.35 -4.88 118.70 109.56 2o61 s GLU 89 Ca 0.68 -0.56 -0.29 0.00 -0.15 0.00 0.00 54.97 54.65 2o61 s GLU 89 Cb -0.19 0.05 -0.09 0.00 -0.44 0.00 0.00 34.13 33.46 2o61 s GLU 89 CO 0.60 -0.03 1.03 -0.51 0.95 0.00 0.00 175.26 177.30 2o61 s LEU 90 N -1.31 4.53 -0.00 1.83 2.01 -0.22 0.25 118.68 125.77 2o61 s LEU 90 Ca -0.14 2.10 -0.02 0.00 0.01 0.00 0.00 54.13 56.09 2o61 s LEU 90 Cb -0.09 -3.70 -0.00 0.00 0.01 0.00 0.00 46.19 42.40 2o61 s LEU 90 CO -0.01 -0.06 0.03 0.68 1.01 0.00 0.00 176.35 178.01 2o61 s VAL 91 N -1.25 0.05 -4.53 -1.59 -7.23 0.63 -4.30 120.40 102.17 2o61 s VAL 91 Ca 0.45 -0.42 0.00 0.00 -1.81 0.00 0.00 61.98 60.20 2o61 s VAL 91 Cb -0.28 -0.19 0.00 0.00 0.56 0.00 0.00 36.38 36.47 2o61 s VAL 91 CO 0.35 -0.23 0.00 0.61 -0.31 0.00 0.00 175.10 175.52 2o61 n GLY 92 N 2.31 0.98 3.56 2.32 0.00 -1.26 -1.25 105.19 111.84 2o61 n GLY 92 Ca -0.18 -1.97 -0.59 0.00 0.00 0.00 0.00 46.02 43.28 2o61 n GLY 92 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2o61 n LYS 93 N -1.08 0.25 -2.07 1.61 4.81 -1.25 -0.76 118.16 119.66 2o61 n LYS 93 Ca 0.00 0.09 -0.16 0.00 -0.87 0.00 0.00 58.31 57.37 2o61 n LYS 93 Cb 0.00 -1.62 -0.02 0.00 0.02 0.00 0.00 35.03 33.41 2o61 n LYS 93 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2o61 n ASP 94 N 2.18 -4.73 -4.57 3.14 8.00 -1.26 -4.91 116.55 114.39 2o61 n ASP 94 Ca 0.21 0.09 -0.34 0.00 0.71 0.00 0.00 54.79 55.47 2o61 n ASP 94 Cb 0.08 -3.79 -0.11 0.00 -0.02 0.00 0.00 41.12 37.28 2o61 n ASP 94 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2o61 s ARG 96 N -0.41 0.84 -0.90 0.00 1.70 -0.58 -4.77 118.95 114.83 2o61 s ARG 96 Ca 0.07 -0.41 -0.11 0.00 -0.47 0.00 0.00 55.73 54.80 2o61 s ARG 96 Cb -0.12 0.37 0.11 0.00 -0.57 0.00 0.00 34.95 34.74 2o61 s ARG 96 CO 0.02 -0.27 0.28 -0.25 -1.08 0.00 0.00 175.30 174.00 2o61 n ASP 97 N 0.63 -1.40 0.00 -2.89 8.00 -1.26 -1.19 116.55 118.44 2o61 n ASP 97 Ca -0.19 -0.33 0.00 0.00 0.71 0.00 0.00 54.79 54.98 2o61 n ASP 97 Cb 0.59 -1.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.40 2o61 n ASP 97 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2o61 n GLY 98 N -0.77 1.77 3.47 0.44 0.00 -1.26 -4.95 105.19 103.89 2o61 n GLY 98 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 2o61 n GLY 98 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2o61 s PHE 99 N -2.33 1.79 -0.08 1.61 -0.71 -0.33 -1.06 117.98 116.86 2o61 s PHE 99 Ca 0.00 -1.22 0.00 0.00 -1.04 0.00 0.00 56.93 54.68 2o61 s PHE 99 Cb 0.00 -1.13 -0.03 0.00 -1.21 0.00 0.00 43.02 40.65 2o61 s PHE 99 CO 0.00 -0.26 -0.07 -0.47 -1.34 0.00 0.00 175.22 173.08 2o61 s TYR 100 N -3.31 2.92 -0.20 3.49 6.14 -0.13 -1.53 117.35 124.73 2o61 s TYR 100 Ca 0.29 -0.08 -0.09 0.00 0.64 0.00 0.00 57.07 57.83 2o61 s TYR 100 Cb 0.04 -1.75 0.08 0.00 0.42 0.00 0.00 41.96 40.76 2o61 s TYR 100 CO 0.15 0.24 0.45 -2.00 0.64 0.00 0.00 175.55 175.03 2o61 s GLU 101 N -0.57 0.40 0.21 4.97 2.12 -0.92 0.08 118.70 124.99 2o61 s GLU 101 Ca 0.08 0.97 -0.08 0.00 0.36 0.00 0.00 54.97 56.30 2o61 s GLU 101 Cb -0.12 0.20 -0.02 0.00 0.26 0.00 0.00 34.13 34.45 2o61 s GLU 101 CO 0.02 -0.20 0.33 0.00 -0.54 0.00 0.00 175.26 174.86 2o61 s ALA 102 N 2.04 0.21 0.20 6.30 0.00 -0.65 -4.81 121.76 125.05 2o61 s ALA 102 Ca -0.06 -1.10 -0.19 0.00 0.00 0.00 0.00 51.96 50.61 2o61 s ALA 102 Cb -0.10 1.09 -0.08 0.00 0.00 0.00 0.00 23.12 24.04 2o61 s ALA 102 CO -0.14 -0.72 0.70 -2.00 0.00 0.00 0.00 175.76 173.60 2o61 s GLU 103 N -4.04 4.23 0.64 0.00 2.56 -1.26 -1.19 118.70 119.63 2o61 s GLU 103 Ca 0.25 0.83 -0.12 0.00 0.00 0.00 0.00 54.97 55.93 2o61 s GLU 103 Cb 0.03 -2.92 -0.03 0.00 2.00 0.00 0.00 34.13 33.21 2o61 s GLU 103 CO 0.07 0.43 1.04 -0.51 -0.56 0.00 0.00 175.26 175.73 2o61 s LEU 104 N -1.89 3.23 -0.29 2.70 1.43 -0.85 -4.87 118.68 118.14 2o61 s LEU 104 Ca 0.41 1.52 -0.22 0.00 -1.03 0.00 0.00 54.13 54.81 2o61 s LEU 104 Cb -0.17 -4.48 -0.00 0.00 0.03 0.00 0.00 46.19 41.56 2o61 s LEU 104 CO 0.21 -1.07 0.74 0.00 0.23 0.00 0.00 176.35 176.45 2o61 h PRO 106 N 8.05 0.00 -0.09 0.00 0.11 -1.95 -2.85 132.00 135.27 2o61 h PRO 106 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2o61 h PRO 106 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2o61 h PRO 106 CO 0.85 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.39 2o61 n ASP 107 N -2.80 2.67 -3.99 -2.05 9.92 -1.26 -3.33 116.55 115.71 2o61 n ASP 107 Ca -0.02 -2.73 -0.15 0.00 -0.53 0.00 0.00 54.79 51.35 2o61 n ASP 107 Cb 0.23 -0.34 -0.14 0.00 -0.64 0.00 0.00 41.12 40.24 2o61 n ASP 107 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 2o61 s ARG 108 N -2.28 0.48 0.00 -1.24 3.52 -1.08 -5.02 118.95 113.34 2o61 s ARG 108 Ca 0.26 -0.36 0.12 0.00 -0.13 0.00 0.00 55.73 55.62 2o61 s ARG 108 Cb 0.22 -0.40 0.07 0.00 -1.56 0.00 0.00 34.95 33.27 2o61 s ARG 108 CO 0.05 0.10 0.83 0.00 -0.81 0.00 0.00 175.30 175.47 2o61 s ILE 110 N -1.11 3.50 -0.07 0.00 1.01 -1.26 -0.62 121.20 122.66 2o61 s ILE 110 Ca 0.13 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.30 2o61 s ILE 110 Cb 0.10 -2.48 0.01 0.00 0.01 0.00 0.00 42.46 40.09 2o61 s ILE 110 CO 0.18 0.53 -0.16 -1.00 0.00 0.00 0.00 174.94 174.48 2o61 s HIS 111 N 0.12 1.79 -0.07 3.97 3.76 0.49 -5.00 115.29 120.35 2o61 s HIS 111 Ca -0.03 -0.64 0.02 0.00 -0.15 0.00 0.00 55.06 54.26 2o61 s HIS 111 Cb -0.14 -1.24 -0.03 0.00 1.11 0.00 0.00 32.58 32.28 2o61 s HIS 111 CO 0.04 -0.27 -0.12 0.45 -0.85 0.00 0.00 174.74 173.98 2o61 s SER 112 N 0.40 4.20 -0.22 1.40 0.15 -1.26 -0.96 113.70 117.40 2o61 s SER 112 Ca -0.12 -0.16 0.02 0.00 0.70 0.00 0.00 55.95 56.38 2o61 s SER 112 Cb -0.15 -1.03 0.04 0.00 -1.71 0.00 0.00 66.02 63.17 2o61 s SER 112 CO 0.04 0.33 -0.13 -0.36 1.20 0.00 0.00 173.24 174.32 2o61 s PHE 113 N -0.61 2.94 -0.91 3.44 0.40 -0.81 -4.98 117.98 117.45 2o61 s PHE 113 Ca 0.09 -1.97 0.09 0.00 -0.60 0.00 0.00 56.93 54.54 2o61 s PHE 113 Cb -0.11 -1.86 0.18 0.00 0.51 0.00 0.00 43.02 41.74 2o61 s PHE 113 CO 0.01 -0.83 1.05 1.04 0.70 0.00 0.00 175.22 177.19 2o61 n GLN 114 N 4.54 1.89 -2.03 0.44 6.02 -1.26 -3.69 117.38 123.30 2o61 n GLN 114 Ca -0.16 -1.61 -0.09 0.00 -0.01 0.00 0.00 57.00 55.13 2o61 n GLN 114 Cb 0.45 -1.20 0.06 0.00 1.02 0.00 0.00 30.24 30.57 2o61 n GLN 114 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2o61 n ASN 115 N 0.41 2.92 -4.61 1.08 3.02 -1.26 -4.84 115.26 111.98 2o61 n ASN 115 Ca 0.08 -3.01 -0.40 0.00 -0.03 0.00 0.00 54.58 51.23 2o61 n ASN 115 Cb 0.33 -0.41 -0.08 0.00 -0.61 0.00 0.00 39.78 39.01 2o61 n ASN 115 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2o61 s LEU 116 N -3.21 4.07 0.07 3.41 1.43 -1.26 -3.95 118.68 119.23 2o61 s LEU 116 Ca 0.39 0.40 0.09 0.00 -1.03 0.00 0.00 54.13 53.98 2o61 s LEU 116 Cb 0.37 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 2o61 s LEU 116 CO -0.03 -0.27 -0.24 -0.83 0.23 0.00 0.00 176.35 175.22 2o61 s GLY 117 N 1.59 1.30 -0.26 -3.19 0.00 -0.38 0.16 107.32 106.54 2o61 s GLY 117 Ca 0.19 -1.22 -0.07 0.00 0.00 0.00 0.00 44.72 43.62 2o61 s GLY 117 CO 0.10 -1.16 0.06 -0.42 0.00 0.00 0.00 173.10 171.68 2o61 s ILE 118 N -0.91 4.13 -0.28 0.90 1.01 -1.26 -0.27 121.20 124.53 2o61 s ILE 118 Ca 0.10 -0.36 -0.09 0.00 0.00 0.00 0.00 60.65 60.29 2o61 s ILE 118 Cb -0.10 -2.99 -0.03 0.00 0.01 0.00 0.00 42.46 39.36 2o61 s ILE 118 CO 0.03 0.27 0.14 -1.58 0.00 0.00 0.00 174.94 173.80 2o61 s GLN 119 N 1.57 3.67 0.07 2.79 0.74 0.14 -2.67 119.66 125.98 2o61 s GLN 119 Ca 0.05 -0.49 -0.21 0.00 0.05 0.00 0.00 55.36 54.76 2o61 s GLN 119 Cb -0.16 -3.52 -0.06 0.00 1.10 0.00 0.00 33.01 30.37 2o61 s GLN 119 CO 0.03 -0.25 0.63 0.00 -0.55 0.00 0.00 175.29 175.15 2o61 s VAL 121 N -0.80 4.92 0.50 0.00 0.11 -1.26 -4.34 120.40 119.53 2o61 s VAL 121 Ca 0.32 0.47 -0.19 0.00 -2.93 0.00 0.00 61.98 59.64 2o61 s VAL 121 Cb -0.20 -3.63 -0.08 0.00 -1.53 0.00 0.00 36.38 30.94 2o61 s VAL 121 CO 0.20 -0.12 1.02 -0.54 -3.33 0.00 0.00 175.10 172.33 2o61 s LYS 122 N -2.94 3.77 0.25 1.54 1.02 -1.26 -4.94 119.74 117.19 2o61 s LYS 122 Ca 0.48 1.24 -0.05 0.00 0.02 0.00 0.00 55.97 57.66 2o61 s LYS 122 Cb -0.11 -2.10 0.32 0.00 -0.52 0.00 0.00 37.83 35.42 2o61 s LYS 122 CO 0.22 -0.44 1.90 0.87 -0.92 0.00 0.00 175.35 176.98 2o61 h LYS 123 N 1.28 1.19 -0.88 1.68 1.57 -2.00 -1.30 116.57 118.11 2o61 h LYS 123 Ca -0.48 -0.07 0.16 0.00 -1.87 0.00 0.00 60.65 58.38 2o61 h LYS 123 Cb 1.21 -0.27 -0.07 0.00 0.08 0.00 0.00 32.23 33.18 2o61 h LYS 123 CO 0.59 0.79 0.57 0.00 -0.57 0.00 0.00 179.45 180.83 2o61 h ARG 124 N 1.23 0.59 -0.54 3.15 -0.00 -2.06 -1.97 114.38 114.78 2o61 h ARG 124 Ca 0.39 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.83 2o61 h ARG 124 Cb 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 29.97 29.84 2o61 h ARG 124 CO -0.12 0.39 0.00 -0.25 0.00 0.00 0.00 179.97 179.98 2o61 n ASP 125 N -4.55 5.29 -0.24 7.04 10.43 -0.52 -4.65 116.55 129.34 2o61 n ASP 125 Ca 0.18 -2.85 -0.07 0.00 2.57 0.00 0.00 54.79 54.61 2o61 n ASP 125 Cb 0.53 -0.64 0.04 0.00 1.84 0.00 0.00 41.12 42.89 2o61 n ASP 125 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 2o61 h LEU 126 N 3.68 0.95 -0.65 0.64 6.46 -0.99 -2.83 115.31 122.57 2o61 h LEU 126 Ca 0.00 -0.20 -0.03 0.00 -0.12 0.00 0.00 57.88 57.53 2o61 h LEU 126 Cb 1.80 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 41.46 2o61 h LEU 126 CO 0.40 0.90 0.28 -0.08 -0.62 0.00 0.00 178.44 179.32 2o61 h GLU 127 N 0.96 0.96 -0.42 1.25 4.81 -1.82 -1.50 114.58 118.80 2o61 h GLU 127 Ca 0.21 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 2o61 h GLU 127 Cb 0.28 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 2o61 h GLU 127 CO -0.01 0.79 0.02 0.37 -0.73 0.00 0.00 179.01 179.45 2o61 h GLN 128 N 0.91 0.67 -0.43 1.92 4.15 -1.90 -1.02 115.11 119.41 2o61 h GLN 128 Ca 0.22 -0.16 -0.08 0.00 0.77 0.00 0.00 58.65 59.41 2o61 h GLN 128 Cb 0.18 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 2o61 h GLN 128 CO -0.02 0.68 -0.03 0.00 -1.93 0.00 0.00 178.83 177.53 2o61 h ALA 129 N 1.38 0.58 -0.35 3.38 0.00 -1.17 -0.87 119.26 122.21 2o61 h ALA 129 Ca 0.13 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 2o61 h ALA 129 Cb 0.38 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2o61 h ALA 129 CO 0.01 0.39 -0.20 0.97 0.00 0.00 0.00 179.25 180.42 2o61 h ILE 130 N 0.61 1.27 -0.54 0.00 6.09 -1.00 -1.98 117.51 121.95 2o61 h ILE 130 Ca 0.12 -1.27 -0.11 0.00 -1.37 0.00 0.00 64.86 62.23 2o61 h ILE 130 Cb 0.53 1.22 -0.02 0.00 0.47 0.00 0.00 36.82 39.01 2o61 h ILE 130 CO 0.03 0.42 -0.09 -1.28 -3.07 0.00 0.00 178.15 174.16 2o61 h SER 131 N 0.60 1.01 -0.46 2.19 0.87 -1.03 -2.43 113.55 114.29 2o61 h SER 131 Ca 0.09 -0.32 -0.03 0.00 -1.23 0.00 0.00 61.79 60.30 2o61 h SER 131 Cb 0.67 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 2o61 h SER 131 CO 0.05 1.10 0.20 -0.61 -0.53 0.00 0.00 176.83 177.04 2o61 h GLN 132 N 0.90 0.74 -0.41 2.24 4.15 -0.72 0.20 115.11 122.21 2o61 h GLN 132 Ca 0.15 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 2o61 h GLN 132 Cb 0.64 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.18 2o61 h GLN 132 CO 0.04 0.61 0.17 -0.09 -1.93 0.00 0.00 178.83 177.64 2o61 h ARG 133 N 0.73 0.60 -0.29 1.69 9.65 -0.90 -2.09 114.38 123.77 2o61 h ARG 133 Ca 0.17 -0.10 -0.14 0.00 -1.10 0.00 0.00 59.98 58.81 2o61 h ARG 133 Cb 0.16 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.63 2o61 h ARG 133 CO -0.02 0.56 -0.38 -0.84 2.80 0.00 0.00 179.97 182.09 2o61 h ILE 134 N 0.51 1.29 0.00 1.20 3.07 -1.06 -2.59 117.51 119.93 2o61 h ILE 134 Ca 0.14 -1.55 0.00 0.00 1.55 0.00 0.00 64.86 65.00 2o61 h ILE 134 Cb 0.17 1.48 0.00 0.00 -0.27 0.00 0.00 36.82 38.20 2o61 h ILE 134 CO -0.01 0.50 0.00 -0.61 -1.05 0.00 0.00 178.15 176.98 2o61 h GLN 135 N 0.56 0.00 -0.04 0.16 -0.00 -0.28 -2.73 115.11 112.77 2o61 h GLN 135 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.70 2o61 h GLN 135 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.39 2o61 h GLN 135 CO 0.08 0.00 0.00 0.25 0.00 0.00 0.00 178.83 179.16 2o61 n THR 136 N -2.43 1.21 -1.63 2.39 -2.24 -0.82 -4.99 114.28 105.77 2o61 n THR 136 Ca -0.00 -1.27 -0.20 0.00 -2.27 0.00 0.00 64.05 60.31 2o61 n THR 136 Cb 0.11 0.34 -0.08 0.00 -2.10 0.00 0.00 70.33 68.60 2o61 n THR 136 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2o61 n ASN 137 N -0.58 -5.43 -4.55 3.42 3.02 -1.03 -4.88 115.26 105.24 2o61 n ASN 137 Ca 0.05 0.46 -0.43 0.00 -0.03 0.00 0.00 54.58 54.63 2o61 n ASN 137 Cb 0.36 -4.67 -0.00 0.00 -0.61 0.00 0.00 39.78 34.86 2o61 n ASN 137 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2o61 s ASN 138 N -2.74 6.87 -0.44 6.41 3.04 -1.00 -4.68 114.94 122.41 2o61 s ASN 138 Ca 0.00 -2.52 0.07 0.00 0.04 0.00 0.00 52.86 50.45 2o61 s ASN 138 Cb 0.00 -2.53 0.23 0.00 -1.54 0.00 0.00 41.25 37.40 2o61 s ASN 138 CO 0.00 -1.09 0.64 -3.20 -3.04 0.00 0.00 177.10 170.41 2o61 n ASN 139 N 7.74 -1.36 -0.36 -4.21 4.05 -1.26 -4.68 115.26 115.19 2o61 n ASN 139 Ca 0.45 -2.87 -0.06 0.00 0.45 0.00 0.00 54.58 52.54 2o61 n ASN 139 Cb 0.46 0.47 -0.04 0.00 1.23 0.00 0.00 39.78 41.90 2o61 n ASN 139 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 2o61 n PRO 140 N 1.87 -0.31 -0.71 1.20 -0.02 -1.26 -0.45 135.00 135.32 2o61 n PRO 140 Ca 0.18 1.34 -0.05 0.00 -2.02 0.00 0.00 63.50 62.95 2o61 n PRO 140 Cb 0.56 -1.97 0.21 0.00 -0.02 0.00 0.00 33.50 32.27 2o61 n PRO 140 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2o61 n PHE 141 N -5.18 1.72 -3.59 6.00 3.01 -1.26 -4.91 117.46 113.25 2o61 n PHE 141 Ca 0.05 -0.91 -0.25 0.00 1.01 0.00 0.00 57.45 57.35 2o61 n PHE 141 Cb 0.28 -0.54 -0.06 0.00 -0.01 0.00 0.00 39.48 39.15 2o61 n PHE 141 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 2o61 n GLN 142 N -0.05 -0.87 -1.68 -1.08 -0.06 0.40 -4.76 117.38 109.29 2o61 n GLN 142 Ca 0.29 0.08 -0.46 0.00 -2.00 0.00 0.00 57.00 54.90 2o61 n GLN 142 Cb 1.08 -2.81 -0.04 0.00 -4.06 0.00 0.00 30.24 24.41 2o61 n GLN 142 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 2o61 n VAL 143 N -3.07 0.56 -1.69 1.69 0.31 -1.26 -4.87 118.33 110.01 2o61 n VAL 143 Ca -0.04 -0.10 -0.44 0.00 -0.01 0.00 0.00 64.34 63.75 2o61 n VAL 143 Cb 0.37 -1.97 -0.02 0.00 -0.91 0.00 0.00 33.84 31.30 2o61 n VAL 143 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2o61 n PRO 144 N 6.51 2.13 0.20 5.55 -0.04 -1.26 -4.71 135.00 143.39 2o61 n PRO 144 Ca 0.21 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.43 2o61 n PRO 144 Cb 0.33 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 2o61 n PRO 144 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 2o61 n ILE 145 N 1.51 0.00 0.00 0.52 3.06 -1.26 -2.11 119.36 121.08 2o61 n ILE 145 Ca 0.09 0.79 0.00 0.00 -2.50 0.00 0.00 62.75 61.13 2o61 n ILE 145 Cb 0.33 -1.76 0.00 0.00 0.54 0.00 0.00 39.64 38.75 2o61 n ILE 145 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 2o61 n GLU 146 N -1.89 0.00 0.33 9.51 2.13 -1.26 -3.67 120.64 125.79 2o61 n GLU 146 Ca 0.00 0.29 0.17 0.00 0.66 0.00 0.00 57.16 58.28 2o61 n GLU 146 Cb 0.79 -0.95 0.92 0.00 0.27 0.00 0.00 31.44 32.46 2o61 n GLU 146 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2o61 h GLU 147 N 0.00 0.00 0.00 5.31 3.07 -1.78 -0.21 114.58 120.97 2o61 h GLU 147 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2o61 h GLU 147 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2o61 h GLU 147 CO 0.00 0.00 0.00 0.94 -1.40 0.00 0.00 179.01 178.55 2o61 n GLN 148 N -2.90 0.27 -4.31 2.33 7.27 -0.96 -4.68 117.38 114.40 2o61 n GLN 148 Ca -0.02 0.04 -0.29 0.00 0.07 0.00 0.00 57.00 56.80 2o61 n GLN 148 Cb 0.28 -1.50 -0.11 0.00 2.41 0.00 0.00 30.24 31.32 2o61 n GLN 148 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2o61 s ARG 149 N -2.12 1.82 0.00 3.69 1.81 -0.09 -5.03 118.95 119.03 2o61 s ARG 149 Ca 0.13 -1.22 0.00 0.00 -1.72 0.00 0.00 55.73 52.92 2o61 s ARG 149 Cb 0.07 -2.10 0.00 0.00 -0.45 0.00 0.00 34.95 32.46 2o61 s ARG 149 CO 0.12 0.46 0.00 0.41 -0.68 0.00 0.00 175.30 175.61 2o61 n GLY 150 N 0.60 3.80 3.25 -3.53 0.00 -1.26 -5.06 105.19 102.99 2o61 n GLY 150 Ca -0.14 -1.69 -0.38 0.00 0.00 0.00 0.00 46.02 43.81 2o61 n GLY 150 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2o61 n ASP 151 N 0.00 -3.57 -4.32 1.61 8.00 -1.26 -5.00 116.55 112.02 2o61 n ASP 151 Ca 0.00 0.55 -0.28 0.00 0.71 0.00 0.00 54.79 55.77 2o61 n ASP 151 Cb 0.00 -0.92 -0.14 0.00 -0.02 0.00 0.00 41.12 40.04 2o61 n ASP 151 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2o61 s TYR 152 N -1.97 2.15 -0.57 1.24 1.51 -1.26 -5.08 117.35 113.37 2o61 s TYR 152 Ca 0.56 -0.40 -0.23 0.00 -1.01 0.00 0.00 57.07 55.99 2o61 s TYR 152 Cb -0.40 -1.27 0.05 0.00 -0.11 0.00 0.00 41.96 40.23 2o61 s TYR 152 CO 0.67 0.14 0.91 0.34 -1.11 0.00 0.00 175.55 176.51 2o61 s ASP 153 N -1.34 6.29 -0.00 2.29 -1.08 -1.26 -4.88 116.67 116.69 2o61 s ASP 153 Ca 0.10 -0.55 0.01 0.00 -0.52 0.00 0.00 52.55 51.59 2o61 s ASP 153 Cb -0.10 -2.42 0.02 0.00 -1.46 0.00 0.00 42.92 38.96 2o61 s ASP 153 CO 0.02 -1.24 0.97 0.18 0.52 0.00 0.00 175.17 175.62 2o61 n LEU 154 N 7.39 0.22 -0.37 -1.34 4.77 -1.26 -3.23 117.00 123.17 2o61 n LEU 154 Ca -0.00 -0.11 0.04 0.00 -0.03 0.00 0.00 56.01 55.90 2o61 n LEU 154 Cb 0.47 -0.06 0.08 0.00 -2.33 0.00 0.00 43.42 41.57 2o61 n LEU 154 CO 0.63 0.05 0.53 0.59 -1.33 0.00 0.00 177.39 177.86 2o61 n ASN 155 N -0.39 2.34 -3.66 -1.43 3.02 -1.26 -4.92 115.26 108.96 2o61 n ASN 155 Ca 0.01 -1.83 -0.15 0.00 -0.03 0.00 0.00 54.58 52.58 2o61 n ASN 155 Cb 0.04 -0.11 -0.08 0.00 -0.61 0.00 0.00 39.78 39.02 2o61 n ASN 155 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2o61 s ALA 156 N -0.90 -1.33 0.13 5.41 0.00 -1.20 -1.44 121.76 122.42 2o61 s ALA 156 Ca 0.13 1.19 -0.13 0.00 0.00 0.00 0.00 51.96 53.15 2o61 s ALA 156 Cb 0.07 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.79 2o61 s ALA 156 CO 0.10 -0.29 0.33 0.14 0.00 0.00 0.00 175.76 176.04 2o61 s VAL 157 N -0.51 0.09 -0.02 0.00 -7.23 -0.87 -4.49 120.40 107.36 2o61 s VAL 157 Ca -0.06 -0.93 0.06 0.00 -1.81 0.00 0.00 61.98 59.24 2o61 s VAL 157 Cb -0.03 -1.39 -0.01 0.00 0.56 0.00 0.00 36.38 35.51 2o61 s VAL 157 CO 0.04 -0.39 -0.19 -0.13 -0.31 0.00 0.00 175.10 174.12 2o61 s ARG 158 N -3.86 1.62 0.30 4.82 0.52 -0.51 0.61 118.95 122.45 2o61 s ARG 158 Ca 0.07 -0.67 -0.28 0.00 -0.52 0.00 0.00 55.73 54.33 2o61 s ARG 158 Cb 0.03 -1.52 -0.09 0.00 0.52 0.00 0.00 34.95 33.88 2o61 s ARG 158 CO -0.09 0.38 0.98 -0.51 0.02 0.00 0.00 175.30 176.08 2o61 s LEU 159 N -0.34 4.46 -0.22 2.53 1.43 -1.26 -1.50 118.68 123.78 2o61 s LEU 159 Ca 0.05 1.97 0.01 0.00 -1.03 0.00 0.00 54.13 55.12 2o61 s LEU 159 Cb -0.08 -3.83 0.05 0.00 0.03 0.00 0.00 46.19 42.36 2o61 s LEU 159 CO -0.00 -0.05 -0.07 0.00 0.23 0.00 0.00 176.35 176.47 2o61 s PHE 161 N 1.43 3.38 -0.44 0.00 0.08 -0.26 -1.63 117.98 120.53 2o61 s PHE 161 Ca -0.04 0.94 0.03 0.00 0.12 0.00 0.00 56.93 57.99 2o61 s PHE 161 Cb -0.18 -2.81 0.12 0.00 -0.57 0.00 0.00 43.02 39.58 2o61 s PHE 161 CO -0.07 -0.18 0.19 -0.65 -0.10 0.00 0.00 175.22 174.41 2o61 s GLN 162 N 1.93 1.66 0.22 0.44 -0.21 0.70 -2.18 119.66 122.22 2o61 s GLN 162 Ca 0.29 -2.23 -0.08 0.00 0.02 0.00 0.00 55.36 53.36 2o61 s GLN 162 Cb -0.16 -3.07 -0.07 0.00 1.00 0.00 0.00 33.01 30.72 2o61 s GLN 162 CO 0.10 -1.06 0.53 0.08 -2.12 0.00 0.00 175.29 172.82 2o61 s VAL 163 N 0.26 4.98 -0.32 1.09 1.01 -1.26 -1.91 120.40 124.25 2o61 s VAL 163 Ca 0.15 0.36 -0.02 0.00 0.00 0.00 0.00 61.98 62.47 2o61 s VAL 163 Cb -0.23 -3.63 0.12 0.00 0.00 0.00 0.00 36.38 32.63 2o61 s VAL 163 CO -0.04 -0.09 0.16 -0.89 0.00 0.00 0.00 175.10 174.25 2o61 s THR 164 N -1.83 0.13 0.00 3.92 2.01 -0.02 -1.87 115.64 117.99 2o61 s THR 164 Ca 0.46 -1.20 0.00 0.00 0.31 0.00 0.00 61.69 61.26 2o61 s THR 164 Cb -0.11 -1.12 0.00 0.00 0.01 0.00 0.00 72.50 71.28 2o61 s THR 164 CO 0.23 -0.82 0.00 1.33 -0.69 0.00 0.00 174.62 174.67 2o61 n VAL 165 N 4.74 0.00 -3.70 3.82 0.24 0.11 -1.78 118.33 121.75 2o61 n VAL 165 Ca 0.01 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.19 2o61 n VAL 165 Cb 0.40 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.64 2o61 n VAL 165 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2o61 s ARG 166 N 1.33 0.22 0.83 7.34 0.52 -1.26 -0.81 118.95 127.11 2o61 s ARG 166 Ca 0.00 0.64 -0.11 0.00 -0.52 0.00 0.00 55.73 55.74 2o61 s ARG 166 Cb 0.00 -0.07 0.09 0.00 0.52 0.00 0.00 34.95 35.49 2o61 s ARG 166 CO 0.00 -0.20 1.13 0.16 0.02 0.00 0.00 175.30 176.41 2o61 s ASP 167 N 1.62 3.75 -0.61 0.23 1.47 -1.08 -4.66 116.67 117.40 2o61 s ASP 167 Ca -0.06 2.06 -0.20 0.00 1.18 0.00 0.00 52.55 55.53 2o61 s ASP 167 Cb -0.11 -2.55 -0.14 0.00 -0.34 0.00 0.00 42.92 39.78 2o61 s ASP 167 CO -0.09 -2.54 1.69 -2.65 0.68 0.00 0.00 175.17 172.25 2o61 n PRO 168 N -3.72 0.00 -1.93 2.11 -0.02 -1.26 -3.65 135.00 126.53 2o61 n PRO 168 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 2o61 n PRO 168 Cb 0.52 -0.95 0.00 0.00 -0.02 0.00 0.00 33.50 33.05 2o61 n PRO 168 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2o61 n SER 169 N 6.52 -2.25 0.00 2.55 7.64 -1.26 -4.88 113.62 121.93 2o61 n SER 169 Ca 0.41 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.47 2o61 n SER 169 Cb 0.02 -2.39 0.00 0.00 -1.01 0.00 0.00 64.21 60.83 2o61 n SER 169 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2o61 n GLY 170 N 1.84 0.08 1.76 0.23 0.00 -1.24 -5.10 105.19 102.76 2o61 n GLY 170 Ca 0.00 -1.76 -0.21 0.00 0.00 0.00 0.00 46.02 44.04 2o61 n GLY 170 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2o61 n ARG 171 N 0.00 0.00 -1.32 1.61 5.12 -1.26 -4.60 116.66 116.21 2o61 n ARG 171 Ca 0.00 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.63 2o61 n ARG 171 Cb 0.00 -0.55 0.19 0.00 -1.16 0.00 0.00 32.46 30.94 2o61 n ARG 171 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 2o61 s PRO 172 N -0.70 0.10 -0.29 5.56 0.02 -1.26 -2.62 135.00 135.82 2o61 s PRO 172 Ca 0.29 0.17 0.00 0.00 0.02 0.00 0.00 61.00 61.48 2o61 s PRO 172 Cb -0.23 -1.73 0.18 0.00 0.02 0.00 0.00 34.50 32.74 2o61 s PRO 172 CO 0.39 -2.88 0.54 -1.17 -0.33 0.00 0.00 177.00 173.55 2o61 s LEU 173 N -6.44 -1.25 0.01 -5.54 2.96 0.01 -4.33 118.68 104.10 2o61 s LEU 173 Ca 0.68 0.54 -0.26 0.00 -0.22 0.00 0.00 54.13 54.86 2o61 s LEU 173 Cb -0.13 1.87 -0.04 0.00 0.50 0.00 0.00 46.19 48.39 2o61 s LEU 173 CO 0.55 -0.28 0.82 -0.13 -1.32 0.00 0.00 176.35 175.99 2o61 s ARG 174 N 2.77 4.52 0.27 1.98 0.52 -1.26 0.04 118.95 127.79 2o61 s ARG 174 Ca 0.17 1.14 0.08 0.00 -0.52 0.00 0.00 55.73 56.60 2o61 s ARG 174 Cb -0.14 -3.41 -0.04 0.00 0.52 0.00 0.00 34.95 31.88 2o61 s ARG 174 CO -0.22 0.13 0.12 -0.48 0.02 0.00 0.00 175.30 174.88 2o61 s LEU 175 N 0.44 3.51 0.14 2.53 2.34 -0.78 -4.97 118.68 121.89 2o61 s LEU 175 Ca 0.42 -0.47 -0.32 0.00 0.06 0.00 0.00 54.13 53.82 2o61 s LEU 175 Cb -0.20 -2.04 -0.18 0.00 -0.56 0.00 0.00 46.19 43.21 2o61 s LEU 175 CO 0.24 -0.07 0.75 -2.65 -1.06 0.00 0.00 176.35 173.56 2o61 n PRO 176 N -1.08 0.10 -2.70 1.48 -0.02 -1.26 -4.48 135.00 127.04 2o61 n PRO 176 Ca -0.06 0.04 -0.35 0.00 -2.02 0.00 0.00 63.50 61.10 2o61 n PRO 176 Cb 0.59 -1.24 -0.06 0.00 -0.02 0.00 0.00 33.50 32.77 2o61 n PRO 176 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2o61 s PRO 177 N -0.65 4.27 0.07 0.52 0.04 -1.26 -4.68 135.00 133.31 2o61 s PRO 177 Ca 0.73 1.32 0.09 0.00 0.04 0.00 0.00 61.00 63.19 2o61 s PRO 177 Cb -1.03 -2.45 -0.03 0.00 0.04 0.00 0.00 34.50 31.02 2o61 s PRO 177 CO 0.56 -0.02 -0.25 0.08 0.04 0.00 0.00 177.00 177.42 2o61 s VAL 178 N -1.84 2.33 0.02 -0.36 1.01 -0.93 -4.94 120.40 115.68 2o61 s VAL 178 Ca 0.58 -1.47 0.02 0.00 0.00 0.00 0.00 61.98 61.11 2o61 s VAL 178 Cb -0.16 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 2o61 s VAL 178 CO 0.21 0.27 0.01 -0.76 0.00 0.00 0.00 175.10 174.82 2o61 s LEU 179 N -1.56 3.53 0.65 3.92 1.43 -1.26 -1.10 118.68 124.28 2o61 s LEU 179 Ca 0.13 -0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 2o61 s LEU 179 Cb -0.10 -2.08 0.09 0.00 0.03 0.00 0.00 46.19 44.12 2o61 s LEU 179 CO 0.04 0.26 0.90 -0.94 0.23 0.00 0.00 176.35 176.84 2o61 s SER 180 N -1.74 4.76 0.63 2.29 1.04 -0.72 -5.00 113.70 114.96 2o61 s SER 180 Ca 0.21 -0.20 -0.17 0.00 0.48 0.00 0.00 55.95 56.27 2o61 s SER 180 Cb -0.12 -0.39 -0.02 0.00 0.10 0.00 0.00 66.02 65.59 2o61 s SER 180 CO 0.12 -1.55 1.16 -1.00 0.98 0.00 0.00 173.24 172.95 2o61 s HIS 181 N -2.98 2.46 0.78 5.02 0.09 -1.26 -4.59 115.29 114.81 2o61 s HIS 181 Ca 0.62 1.55 -0.12 0.00 -0.00 0.00 0.00 55.06 57.11 2o61 s HIS 181 Cb -0.08 -3.34 0.07 0.00 -0.00 0.00 0.00 32.58 29.23 2o61 s HIS 181 CO 0.42 -1.98 1.15 -1.25 -0.00 0.00 0.00 174.74 173.08 2o61 s PRO 182 N -3.66 1.94 -0.19 8.40 0.04 -1.26 -4.55 135.00 135.71 2o61 s PRO 182 Ca 0.73 1.50 0.01 0.00 0.04 0.00 0.00 61.00 63.27 2o61 s PRO 182 Cb -0.26 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.47 2o61 s PRO 182 CO 0.36 -1.94 -0.18 0.42 0.04 0.00 0.00 177.00 175.71 2o61 s ILE 183 N -2.46 2.16 -0.10 0.56 1.01 0.20 -4.57 121.20 118.00 2o61 s ILE 183 Ca 0.68 -1.00 -0.08 0.00 0.00 0.00 0.00 60.65 60.25 2o61 s ILE 183 Cb -0.23 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 2o61 s ILE 183 CO 0.51 0.46 0.18 -0.36 0.00 0.00 0.00 174.94 175.73 2o61 s PHE 184 N 1.28 3.61 -0.29 3.97 0.40 -0.36 -2.05 117.98 124.54 2o61 s PHE 184 Ca 0.03 0.58 -0.29 0.00 -0.60 0.00 0.00 56.93 56.65 2o61 s PHE 184 Cb -0.14 -1.98 -0.02 0.00 0.51 0.00 0.00 43.02 41.39 2o61 s PHE 184 CO -0.11 0.72 1.73 0.34 0.70 0.00 0.00 175.22 178.60 2o61 s ASP 185 N -1.10 6.08 0.18 1.36 -1.08 -0.52 -4.53 116.67 117.05 2o61 s ASP 185 Ca 0.17 1.43 0.21 0.00 -0.52 0.00 0.00 52.55 53.84 2o61 s ASP 185 Cb -0.13 -2.53 0.88 0.00 -1.46 0.00 0.00 42.92 39.68 2o61 s ASP 185 CO 0.06 -1.53 1.65 -3.20 0.52 0.00 0.00 175.17 172.67 2o61 n ASN 186 N 9.56 0.47 0.01 -0.34 2.85 -0.65 -2.95 115.26 124.22 2o61 n ASN 186 Ca 0.21 0.61 -0.12 0.00 -0.11 0.00 0.00 54.58 55.18 2o61 n ASN 186 Cb 0.46 -0.71 -0.14 0.00 1.24 0.00 0.00 39.78 40.63 2o61 n ASN 186 CO 0.00 0.00 0.00 -0.09 -2.11 0.00 0.00 177.26 175.06 2o61 h ARG 187 N 0.00 0.08 -6.64 1.20 2.43 -1.90 -3.40 114.38 106.16 2o61 h ARG 187 Ca 0.00 -0.14 -0.52 0.00 -0.81 0.00 0.00 59.98 58.51 2o61 h ARG 187 Cb 0.36 0.05 0.05 0.00 -0.42 0.00 0.00 29.97 30.01 2o61 h ARG 187 CO 0.00 0.76 0.89 0.00 -1.51 0.00 0.00 179.97 180.11 2o61 s ALA 188 N -2.61 3.79 0.38 2.80 0.00 -1.15 -4.92 121.76 120.04 2o61 s ALA 188 Ca -0.07 1.41 0.11 0.00 0.00 0.00 0.00 51.96 53.40 2o61 s ALA 188 Cb 0.08 -3.63 0.89 0.00 0.00 0.00 0.00 23.12 20.46 2o61 s ALA 188 CO 0.82 -0.81 1.90 -1.00 0.00 0.00 0.00 175.76 176.68 2o61 h PRO 189 N 6.53 0.59 -2.05 0.00 0.13 -1.89 -2.28 132.00 133.02 2o61 h PRO 189 Ca -0.43 -0.04 -0.74 0.00 -0.87 0.00 0.00 66.00 63.92 2o61 h PRO 189 Cb 1.21 -0.13 -0.31 0.00 0.13 0.00 0.00 31.00 31.90 2o61 h PRO 189 CO 0.90 0.39 0.64 0.27 -0.23 0.00 0.00 178.00 179.97 2o61 n ASN 190 N -4.52 6.79 0.00 1.44 2.04 -1.26 -4.12 115.26 115.63 2o61 n ASN 190 Ca 0.15 -3.76 0.00 0.00 -0.44 0.00 0.00 54.58 50.53 2o61 n ASN 190 Cb 0.45 -0.97 0.00 0.00 -2.53 0.00 0.00 39.78 36.73 2o61 n ASN 190 CO 0.00 0.00 0.00 1.07 -0.44 0.00 0.00 177.26 177.89 2o61 n THR 191 N -0.34 0.00 -1.69 5.53 5.66 -1.18 -5.10 114.28 117.16 2o61 n THR 191 Ca 0.47 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 61.17 2o61 n THR 191 Cb 0.31 0.00 0.07 0.00 -1.55 0.00 0.00 70.33 69.16 2o61 n THR 191 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2o61 s ALA 192 N 0.00 2.53 -0.01 1.79 0.00 -0.86 -4.47 121.76 120.74 2o61 s ALA 192 Ca 0.00 -0.25 -0.30 0.00 0.00 0.00 0.00 51.96 51.41 2o61 s ALA 192 Cb 0.00 -3.08 -0.03 0.00 0.00 0.00 0.00 23.12 20.01 2o61 s ALA 192 CO 0.00 -1.47 0.97 -2.00 0.00 0.00 0.00 175.76 173.26 2o61 s GLU 193 N -5.24 4.55 0.08 0.00 2.12 -1.26 -5.00 118.70 113.96 2o61 s GLU 193 Ca 0.60 1.40 -0.30 0.00 0.36 0.00 0.00 54.97 57.02 2o61 s GLU 193 Cb -0.13 -3.47 -0.05 0.00 0.26 0.00 0.00 34.13 30.74 2o61 s GLU 193 CO 0.53 -0.06 1.05 -0.51 -0.54 0.00 0.00 175.26 175.73 2o61 s LEU 194 N 1.07 4.43 -0.16 2.70 1.43 -1.26 -4.93 118.68 121.96 2o61 s LEU 194 Ca 0.51 1.88 -0.06 0.00 -1.03 0.00 0.00 54.13 55.43 2o61 s LEU 194 Cb -0.21 -3.58 0.08 0.00 0.03 0.00 0.00 46.19 42.51 2o61 s LEU 194 CO 0.27 -0.25 0.34 -0.75 0.23 0.00 0.00 176.35 176.19 2o61 s LYS 195 N 0.43 0.23 0.15 1.70 2.20 -1.26 -4.42 119.74 118.77 2o61 s LYS 195 Ca 0.52 0.89 -0.30 0.00 -0.36 0.00 0.00 55.97 56.71 2o61 s LYS 195 Cb -0.26 0.14 -0.07 0.00 -1.51 0.00 0.00 37.83 36.14 2o61 s LYS 195 CO 0.30 -0.27 1.00 0.42 -0.36 0.00 0.00 175.35 176.44 2o61 s ILE 196 N 2.50 4.26 -0.10 5.43 1.01 -1.26 -2.08 121.20 130.96 2o61 s ILE 196 Ca -0.00 1.95 0.06 0.00 0.00 0.00 0.00 60.65 62.65 2o61 s ILE 196 Cb -0.12 -4.24 -0.10 0.00 0.01 0.00 0.00 42.46 38.01 2o61 s ILE 196 CO -0.11 0.33 -0.02 0.00 0.00 0.00 0.00 174.94 175.15 2o61 s ARG 198 N -2.23 0.62 0.00 0.00 0.52 -1.03 -4.98 118.95 111.84 2o61 s ARG 198 Ca -0.09 0.83 0.06 0.00 -0.52 0.00 0.00 55.73 56.01 2o61 s ARG 198 Cb 0.03 0.25 -0.03 0.00 0.52 0.00 0.00 34.95 35.72 2o61 s ARG 198 CO 0.35 -0.09 -0.16 0.08 0.02 0.00 0.00 175.30 175.50 2o61 s VAL 199 N 0.68 2.93 0.07 3.52 1.01 -1.26 -0.40 120.40 126.95 2o61 s VAL 199 Ca -0.02 -0.98 -0.36 0.00 0.00 0.00 0.00 61.98 60.62 2o61 s VAL 199 Cb -0.05 -2.20 -0.19 0.00 0.00 0.00 0.00 36.38 33.95 2o61 s VAL 199 CO -0.08 0.45 1.55 -1.13 0.00 0.00 0.00 175.10 175.89 2o61 h ASN 200 N 4.87 -1.27 -3.67 3.32 -0.00 -1.25 -3.45 115.58 114.13 2o61 h ASN 200 Ca -0.47 0.08 -0.23 0.00 -0.00 0.00 0.00 56.30 55.68 2o61 h ASN 200 Cb 1.15 0.38 -0.29 0.00 -0.00 0.00 0.00 38.32 39.56 2o61 h ASN 200 CO 0.49 -0.73 -0.65 -0.13 -0.00 0.00 0.00 177.43 176.42 2o61 s ARG 201 N -5.85 0.07 -0.08 6.67 0.52 -1.26 -4.98 118.95 114.04 2o61 s ARG 201 Ca -0.18 0.15 0.17 0.00 -0.52 0.00 0.00 55.73 55.34 2o61 s ARG 201 Cb 0.03 -0.04 0.57 0.00 0.52 0.00 0.00 34.95 36.03 2o61 s ARG 201 CO 0.59 -0.06 1.48 0.27 0.02 0.00 0.00 175.30 177.60 2o61 n ASN 202 N 3.38 4.01 -4.05 0.23 0.23 -1.26 -4.93 115.26 112.86 2o61 n ASN 202 Ca -0.17 -2.35 -0.11 0.00 -0.53 0.00 0.00 54.58 51.43 2o61 n ASN 202 Cb 0.57 -0.46 -0.11 0.00 -2.08 0.00 0.00 39.78 37.70 2o61 n ASN 202 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2o61 s SER 203 N -1.11 0.64 0.05 0.53 0.15 -1.26 -1.97 113.70 110.74 2o61 s SER 203 Ca 0.42 -0.66 -0.27 0.00 0.70 0.00 0.00 55.95 56.14 2o61 s SER 203 Cb 0.26 0.09 0.09 0.00 -1.71 0.00 0.00 66.02 64.75 2o61 s SER 203 CO 0.21 -0.33 1.19 -0.83 1.20 0.00 0.00 173.24 174.69 2o61 s GLY 204 N -1.92 -0.12 0.53 9.45 0.00 -0.99 -4.99 107.32 109.28 2o61 s GLY 204 Ca -0.07 0.05 -0.21 0.00 0.00 0.00 0.00 44.72 44.50 2o61 s GLY 204 CO -0.02 3.31 1.23 -0.45 0.00 0.00 0.00 173.10 177.16 2o61 s SER 205 N -3.48 5.59 0.28 1.64 0.15 -1.26 0.38 113.70 117.00 2o61 s SER 205 Ca 0.23 2.45 0.24 0.00 0.70 0.00 0.00 55.95 59.58 2o61 s SER 205 Cb -0.00 -2.61 1.01 0.00 -1.71 0.00 0.00 66.02 62.71 2o61 s SER 205 CO 0.01 -1.32 1.73 0.00 1.20 0.00 0.00 173.24 174.85 2o61 h LEU 207 N 0.00 0.00 0.00 0.00 4.07 -1.89 -0.32 115.31 117.16 2o61 h LEU 207 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2o61 h LEU 207 Cb 0.37 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.11 2o61 h LEU 207 CO 0.00 0.00 -0.00 0.61 -1.08 0.00 0.00 178.44 177.97 2o61 n GLY 208 N 1.08 -1.93 1.66 0.83 0.00 -0.28 -4.04 105.19 102.51 2o61 n GLY 208 Ca 0.04 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.70 2o61 n GLY 208 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o61 n GLY 209 N -0.03 0.78 3.73 -0.02 0.00 0.35 -4.82 105.19 105.18 2o61 n GLY 209 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2o61 n GLY 209 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2o61 s ASP 210 N -2.93 7.40 -0.13 1.61 1.11 -1.26 -4.66 116.67 117.80 2o61 s ASP 210 Ca 0.00 1.88 -0.26 0.00 0.18 0.00 0.00 52.55 54.35 2o61 s ASP 210 Cb 0.00 -2.59 -0.02 0.00 1.07 0.00 0.00 42.92 41.38 2o61 s ASP 210 CO 0.00 -0.15 0.85 -0.70 1.18 0.00 0.00 175.17 176.35 2o61 s GLU 211 N 0.04 4.35 -0.03 8.23 2.12 -1.26 -1.20 118.70 130.94 2o61 s GLU 211 Ca 0.49 1.09 0.07 0.00 0.36 0.00 0.00 54.97 56.98 2o61 s GLU 211 Cb -0.25 -3.54 -0.02 0.00 0.26 0.00 0.00 34.13 30.57 2o61 s GLU 211 CO 0.31 -0.25 -0.24 0.42 -0.54 0.00 0.00 175.26 174.95 2o61 s ILE 212 N 1.87 2.17 -0.31 -3.70 1.01 -0.53 -4.89 121.20 116.82 2o61 s ILE 212 Ca 0.41 -1.05 -0.10 0.00 0.00 0.00 0.00 60.65 59.90 2o61 s ILE 212 Cb -0.17 -1.77 -0.01 0.00 0.01 0.00 0.00 42.46 40.52 2o61 s ILE 212 CO 0.15 0.58 0.17 -0.36 0.00 0.00 0.00 174.94 175.48 2o61 s PHE 213 N -0.52 3.19 -0.18 3.97 0.40 -1.26 -1.77 117.98 121.81 2o61 s PHE 213 Ca 0.07 -0.49 -0.02 0.00 -0.60 0.00 0.00 56.93 55.90 2o61 s PHE 213 Cb -0.11 -2.37 -0.01 0.00 0.51 0.00 0.00 43.02 41.04 2o61 s PHE 213 CO 0.00 -0.43 -0.10 -1.17 0.70 0.00 0.00 175.22 174.22 2o61 s LEU 214 N 1.64 2.70 -0.23 -0.37 0.20 0.56 -0.64 118.68 122.54 2o61 s LEU 214 Ca 0.05 -0.40 -0.14 0.00 0.69 0.00 0.00 54.13 54.32 2o61 s LEU 214 Cb -0.17 -1.64 -0.04 0.00 -0.43 0.00 0.00 46.19 43.90 2o61 s LEU 214 CO 0.07 0.06 0.34 -0.76 -0.29 0.00 0.00 176.35 175.77 2o61 s LEU 215 N 0.98 4.12 0.00 -0.68 1.43 0.46 -0.80 118.68 124.19 2o61 s LEU 215 Ca -0.01 0.37 0.05 0.00 -1.03 0.00 0.00 54.13 53.51 2o61 s LEU 215 Cb -0.15 -2.40 -0.02 0.00 0.03 0.00 0.00 46.19 43.65 2o61 s LEU 215 CO -0.01 -0.07 0.19 0.00 0.23 0.00 0.00 176.35 176.69 2o61 s ASP 217 N -3.31 5.16 -0.50 0.00 -0.00 -0.89 -4.59 116.67 112.56 2o61 s ASP 217 Ca 0.27 0.58 -0.47 0.00 -0.00 0.00 0.00 52.55 52.94 2o61 s ASP 217 Cb 0.01 -1.38 -0.20 0.00 -0.00 0.00 0.00 42.92 41.35 2o61 s ASP 217 CO 0.19 -1.36 1.59 1.17 -0.00 0.00 0.00 175.17 176.76 2o61 n LYS 218 N -2.78 0.00 -4.41 8.23 4.81 -1.25 -4.69 118.16 118.07 2o61 n LYS 218 Ca 0.07 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.30 2o61 n LYS 218 Cb 0.59 -1.49 -0.10 0.00 0.02 0.00 0.00 35.03 34.05 2o61 n LYS 218 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2o61 s VAL 219 N 2.98 1.36 -0.32 3.15 -7.23 -0.09 -4.96 120.40 115.29 2o61 s VAL 219 Ca 1.04 -2.06 -0.06 0.00 -1.81 0.00 0.00 61.98 59.09 2o61 s VAL 219 Cb -1.49 -2.52 0.03 0.00 0.56 0.00 0.00 36.38 32.96 2o61 s VAL 219 CO 0.81 -0.22 0.08 -1.10 -0.31 0.00 0.00 175.10 174.36 2o61 s GLN 220 N -3.81 2.75 0.27 4.82 -0.21 -1.26 -4.65 119.66 117.57 2o61 s GLN 220 Ca 0.31 -1.09 0.07 0.00 0.02 0.00 0.00 55.36 54.67 2o61 s GLN 220 Cb 0.06 -3.40 0.36 0.00 1.00 0.00 0.00 33.01 31.03 2o61 s GLN 220 CO 0.12 -0.59 1.02 0.36 -2.12 0.00 0.00 175.29 174.08 2o61 n LYS 221 N 4.81 0.05 -0.22 2.91 2.85 -1.26 0.03 118.16 127.32 2o61 n LYS 221 Ca -0.13 0.47 0.08 0.00 -1.05 0.00 0.00 58.31 57.68 2o61 n LYS 221 Cb 0.46 -2.11 0.20 0.00 -0.65 0.00 0.00 35.03 32.93 2o61 n LYS 221 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2o61 n GLU 222 N -1.80 2.60 -2.80 -1.58 4.71 -1.26 -4.58 120.64 115.92 2o61 n GLU 222 Ca -0.00 -2.19 -0.08 0.00 -0.01 0.00 0.00 57.16 54.87 2o61 n GLU 222 Cb 0.46 -1.38 0.02 0.00 -1.01 0.00 0.00 31.44 29.53 2o61 n GLU 222 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2o61 n ASP 223 N 0.98 -2.85 -3.63 1.62 2.03 0.10 -5.06 116.55 109.74 2o61 n ASP 223 Ca 0.16 -3.11 -0.06 0.00 0.52 0.00 0.00 54.79 52.30 2o61 n ASP 223 Cb 0.49 1.59 -0.06 0.00 -0.72 0.00 0.00 41.12 42.42 2o61 n ASP 223 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2o61 s ILE 224 N 0.63 0.00 0.07 5.18 -1.16 -1.24 -4.40 121.20 120.28 2o61 s ILE 224 Ca 0.31 0.00 -0.13 0.00 -0.51 0.00 0.00 60.65 60.32 2o61 s ILE 224 Cb 0.14 -1.00 0.02 0.00 0.61 0.00 0.00 42.46 42.23 2o61 s ILE 224 CO -0.17 0.00 0.31 -1.83 -2.81 0.00 0.00 174.94 170.44 2o61 s GLU 225 N -0.26 0.88 -0.38 3.50 -1.05 0.62 -4.94 118.70 117.06 2o61 s GLU 225 Ca 0.05 -0.63 -0.18 0.00 -0.15 0.00 0.00 54.97 54.06 2o61 s GLU 225 Cb -0.04 0.38 0.01 0.00 -0.44 0.00 0.00 34.13 34.04 2o61 s GLU 225 CO -0.09 -0.30 0.51 0.08 0.95 0.00 0.00 175.26 176.42 2o61 s VAL 226 N -3.07 5.01 -0.34 1.83 1.01 -1.26 0.37 120.40 123.94 2o61 s VAL 226 Ca -0.01 0.12 -0.10 0.00 0.00 0.00 0.00 61.98 61.98 2o61 s VAL 226 Cb 0.01 -4.02 0.01 0.00 0.00 0.00 0.00 36.38 32.38 2o61 s VAL 226 CO -0.07 -0.33 0.18 -0.47 0.00 0.00 0.00 175.10 174.42 2o61 s TYR 227 N 2.39 3.21 -0.10 5.22 5.04 0.29 -1.84 117.35 131.56 2o61 s TYR 227 Ca 0.17 -0.72 -0.08 0.00 -2.44 0.00 0.00 57.07 54.01 2o61 s TYR 227 Cb -0.16 -2.40 -0.04 0.00 0.35 0.00 0.00 41.96 39.71 2o61 s TYR 227 CO 0.14 -0.54 0.18 -0.06 -1.34 0.00 0.00 175.55 173.94 2o61 s PHE 228 N 1.59 3.61 0.00 4.97 0.40 1.00 -0.96 117.98 128.60 2o61 s PHE 228 Ca 0.04 0.58 0.00 0.00 -0.60 0.00 0.00 56.93 56.94 2o61 s PHE 228 Cb -0.18 -1.98 0.00 0.00 0.51 0.00 0.00 43.02 41.37 2o61 s PHE 228 CO 0.07 0.72 0.00 0.25 0.70 0.00 0.00 175.22 176.96 2o61 n THR 229 N 1.89 0.00 -1.76 0.64 -2.24 -0.56 -0.41 114.28 111.84 2o61 n THR 229 Ca -0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2o61 n THR 229 Cb 0.55 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 2o61 n THR 229 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2o61 n GLY 230 N 0.00 -0.15 3.54 3.38 0.00 -1.21 -1.76 105.19 108.99 2o61 n GLY 230 Ca 0.00 -1.17 -0.18 0.00 0.00 0.00 0.00 46.02 44.66 2o61 n GLY 230 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2o61 n PRO 231 N 0.00 0.41 -3.52 1.61 -0.02 -1.26 -3.27 135.00 128.95 2o61 n PRO 231 Ca 0.00 -0.52 -0.15 0.00 -2.02 0.00 0.00 63.50 60.80 2o61 n PRO 231 Cb 0.00 -2.83 0.00 0.00 -0.02 0.00 0.00 33.50 30.65 2o61 n PRO 231 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2o61 n GLY 232 N 6.37 -1.28 3.54 -1.23 0.00 -1.26 -5.01 105.19 106.31 2o61 n GLY 232 Ca 0.53 0.55 -0.13 0.00 0.00 0.00 0.00 46.02 46.98 2o61 n GLY 232 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2o61 s TRP 233 N -3.00 -0.47 -0.14 1.61 -0.00 -1.20 -5.13 118.94 110.60 2o61 s TRP 233 Ca 0.01 0.70 -0.08 0.00 -0.00 0.00 0.00 56.10 56.73 2o61 s TRP 233 Cb -0.00 0.46 0.05 0.00 -0.00 0.00 0.00 33.47 33.98 2o61 s TRP 233 CO 0.84 -0.49 0.35 -1.21 -0.00 0.00 0.00 176.95 176.44 2o61 s GLU 234 N -1.62 0.33 0.10 5.86 2.02 -1.26 -3.33 118.70 120.81 2o61 s GLU 234 Ca -0.03 0.67 -0.03 0.00 0.02 0.00 0.00 54.97 55.59 2o61 s GLU 234 Cb -0.00 -0.04 -0.03 0.00 0.10 0.00 0.00 34.13 34.16 2o61 s GLU 234 CO 0.02 -0.15 0.07 0.00 0.02 0.00 0.00 175.26 175.22 2o61 s ALA 235 N 1.23 0.52 -0.03 5.21 0.00 0.45 -4.99 121.76 124.15 2o61 s ALA 235 Ca -0.09 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.66 2o61 s ALA 235 Cb -0.08 0.63 0.03 0.00 0.00 0.00 0.00 23.12 23.69 2o61 s ALA 235 CO -0.10 -0.47 0.00 1.03 0.00 0.00 0.00 175.76 176.22 2o61 s ARG 236 N -3.97 0.23 0.58 0.00 0.52 -1.26 -0.00 118.95 115.05 2o61 s ARG 236 Ca 0.15 0.09 -0.18 0.00 -0.52 0.00 0.00 55.73 55.27 2o61 s ARG 236 Cb 0.07 -0.42 -0.04 0.00 0.52 0.00 0.00 34.95 35.08 2o61 s ARG 236 CO -0.04 -0.13 1.16 0.20 0.02 0.00 0.00 175.30 176.51 2o61 s GLY 237 N 0.96 2.59 -0.17 -3.53 0.00 -0.77 -4.47 107.32 101.94 2o61 s GLY 237 Ca -0.09 0.85 -0.06 0.00 0.00 0.00 0.00 44.72 45.42 2o61 s GLY 237 CO -0.02 1.22 0.01 -1.35 0.00 0.00 0.00 173.10 172.97 2o61 s SER 238 N -1.83 5.24 -0.17 1.64 1.04 -0.97 -4.64 113.70 114.00 2o61 s SER 238 Ca 0.74 -0.01 -0.28 0.00 0.48 0.00 0.00 55.95 56.88 2o61 s SER 238 Cb -0.26 -1.87 0.08 0.00 0.10 0.00 0.00 66.02 64.08 2o61 s SER 238 CO 0.32 0.18 0.77 0.72 0.98 0.00 0.00 173.24 176.21 2o61 s PHE 239 N 0.32 -0.65 0.57 5.02 -0.71 -1.26 -2.58 117.98 118.69 2o61 s PHE 239 Ca -0.00 1.37 -0.05 0.00 -1.04 0.00 0.00 56.93 57.21 2o61 s PHE 239 Cb -0.13 0.36 0.01 0.00 -1.21 0.00 0.00 43.02 42.04 2o61 s PHE 239 CO 0.01 -0.45 0.87 -1.54 -1.34 0.00 0.00 175.22 172.78 2o61 s SER 240 N -0.43 5.63 0.57 1.98 1.04 -1.26 -4.91 113.70 116.32 2o61 s SER 240 Ca -0.04 0.67 0.27 0.00 0.48 0.00 0.00 55.95 57.32 2o61 s SER 240 Cb -0.02 -1.69 1.55 0.00 0.10 0.00 0.00 66.02 65.95 2o61 s SER 240 CO 0.04 -1.01 2.06 1.56 0.98 0.00 0.00 173.24 176.87 2o61 h GLN 241 N -0.10 0.00 0.00 4.02 4.20 -1.97 0.45 115.11 121.71 2o61 h GLN 241 Ca -0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.26 2o61 h GLN 241 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 2o61 h GLN 241 CO 0.60 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.76 2o61 n ALA 242 N -2.42 1.53 1.29 3.87 0.00 -1.26 -1.69 120.51 121.84 2o61 n ALA 242 Ca 0.04 0.12 0.14 0.00 0.00 0.00 0.00 53.44 53.73 2o61 n ALA 242 Cb 0.39 -1.38 0.52 0.00 0.00 0.00 0.00 19.45 18.99 2o61 n ALA 242 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2o61 n ASP 243 N -2.28 0.54 -4.61 0.00 8.00 0.16 -4.70 116.55 113.65 2o61 n ASP 243 Ca 0.01 -0.51 -0.39 0.00 0.71 0.00 0.00 54.79 54.61 2o61 n ASP 243 Cb 0.19 -0.03 -0.08 0.00 -0.02 0.00 0.00 41.12 41.18 2o61 n ASP 243 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2o61 s VAL 244 N -2.58 5.13 -0.24 2.53 1.01 -0.68 -1.80 120.40 123.77 2o61 s VAL 244 Ca 0.25 0.68 -0.15 0.00 0.00 0.00 0.00 61.98 62.75 2o61 s VAL 244 Cb 0.19 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 2o61 s VAL 244 CO 0.51 0.12 0.38 -2.28 0.00 0.00 0.00 175.10 173.83 2o61 s HIS 245 N 2.16 3.31 -1.23 5.22 2.46 0.41 -4.56 115.29 123.06 2o61 s HIS 245 Ca 0.17 0.50 -0.16 0.00 0.47 0.00 0.00 55.06 56.04 2o61 s HIS 245 Cb -0.16 -2.54 0.16 0.00 -0.13 0.00 0.00 32.58 29.91 2o61 s HIS 245 CO 0.10 -0.12 0.39 0.54 -2.47 0.00 0.00 174.74 173.18 2o61 n ARG 246 N 4.91 -0.82 -0.54 2.88 3.00 -1.26 -0.96 116.66 123.88 2o61 n ARG 246 Ca -0.09 0.09 0.00 0.00 -0.01 0.00 0.00 57.85 57.85 2o61 n ARG 246 Cb 0.51 -3.08 0.00 0.00 0.00 0.00 0.00 32.46 29.89 2o61 n ARG 246 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2o61 n GLN 247 N -2.82 0.00 0.00 5.56 6.02 -1.26 -4.75 117.38 120.13 2o61 n GLN 247 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 2o61 n GLN 247 Cb 0.29 -3.67 0.00 0.00 1.02 0.00 0.00 30.24 27.88 2o61 n GLN 247 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2o61 n VAL 248 N -2.00 0.64 -3.68 5.09 0.24 -0.13 -0.92 118.33 117.58 2o61 n VAL 248 Ca 0.00 -0.71 -0.10 0.00 -2.04 0.00 0.00 64.34 61.49 2o61 n VAL 248 Cb 0.00 0.72 -0.10 0.00 -1.47 0.00 0.00 33.84 32.99 2o61 n VAL 248 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2o61 s ALA 249 N -0.64 -1.18 -0.12 2.33 0.00 -1.01 -1.15 121.76 119.99 2o61 s ALA 249 Ca 0.00 1.65 0.03 0.00 0.00 0.00 0.00 51.96 53.64 2o61 s ALA 249 Cb 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 23.12 22.06 2o61 s ALA 249 CO 0.00 -0.36 -0.22 0.42 0.00 0.00 0.00 175.76 175.60 2o61 s ILE 250 N 1.63 2.21 -0.28 0.00 1.01 0.02 0.15 121.20 125.94 2o61 s ILE 250 Ca -0.08 -0.96 -0.02 0.00 0.00 0.00 0.00 60.65 59.59 2o61 s ILE 250 Cb -0.09 -1.87 0.04 0.00 0.01 0.00 0.00 42.46 40.56 2o61 s ILE 250 CO -0.14 0.55 -0.01 -0.69 0.00 0.00 0.00 174.94 174.65 2o61 s VAL 251 N 0.47 3.00 0.00 2.92 1.01 -0.75 -0.32 120.40 126.74 2o61 s VAL 251 Ca -0.15 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 60.58 2o61 s VAL 251 Cb -0.17 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.55 2o61 s VAL 251 CO 0.06 -0.01 0.00 2.22 0.00 0.00 0.00 175.10 177.37 2o61 n PHE 252 N 4.65 0.00 -4.63 5.22 1.16 -0.73 -4.80 117.46 118.33 2o61 n PHE 252 Ca -0.14 0.00 -0.22 0.00 -1.87 0.00 0.00 57.45 55.22 2o61 n PHE 252 Cb 0.45 0.00 -0.15 0.00 -1.61 0.00 0.00 39.48 38.17 2o61 n PHE 252 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 2o61 s ARG 253 N -1.30 1.13 0.27 3.97 3.00 -1.07 -1.45 118.95 123.51 2o61 s ARG 253 Ca 0.00 -0.52 -0.30 0.00 0.00 0.00 0.00 55.73 54.91 2o61 s ARG 253 Cb 0.00 -1.09 -0.11 0.00 0.00 0.00 0.00 34.95 33.75 2o61 s ARG 253 CO 0.00 0.30 1.52 0.95 0.00 0.00 0.00 175.30 178.07 2o61 s THR 254 N -0.37 2.36 0.70 0.02 -4.23 -0.34 -2.30 115.64 111.48 2o61 s THR 254 Ca 0.05 0.30 -0.11 0.00 -1.18 0.00 0.00 61.69 60.76 2o61 s THR 254 Cb -0.06 -3.19 0.01 0.00 1.34 0.00 0.00 72.50 70.60 2o61 s THR 254 CO -0.00 0.05 1.07 -2.16 -0.54 0.00 0.00 174.62 173.03 2o61 s PRO 255 N -0.43 2.93 0.43 3.99 0.04 -1.26 0.13 135.00 140.82 2o61 s PRO 255 Ca 0.61 0.77 -0.25 0.00 0.04 0.00 0.00 61.00 62.18 2o61 s PRO 255 Cb -0.45 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.01 2o61 s PRO 255 CO 0.46 -1.06 1.22 -2.14 0.04 0.00 0.00 177.00 175.51 2o61 s PRO 256 N -5.15 3.89 0.45 0.56 0.02 -1.26 -4.09 135.00 129.42 2o61 s PRO 256 Ca 0.58 1.93 -0.14 0.00 0.02 0.00 0.00 61.00 63.39 2o61 s PRO 256 Cb -0.13 -2.59 -0.07 0.00 0.02 0.00 0.00 34.50 31.72 2o61 s PRO 256 CO 0.54 -0.49 0.88 -0.47 -0.33 0.00 0.00 177.00 177.13 2o61 s TYR 257 N -1.40 3.45 0.21 6.54 6.04 -0.13 -4.93 117.35 127.12 2o61 s TYR 257 Ca 0.60 1.28 -0.15 0.00 0.04 0.00 0.00 57.07 58.84 2o61 s TYR 257 Cb -0.33 -2.63 0.22 0.00 -1.04 0.00 0.00 41.96 38.18 2o61 s TYR 257 CO 0.41 -0.22 1.61 0.00 -1.54 0.00 0.00 175.55 175.81 2o61 h ALA 258 N 1.20 0.31 -2.33 3.97 0.00 -1.95 -3.31 119.26 117.14 2o61 h ALA 258 Ca -0.47 0.23 -0.76 0.00 0.00 0.00 0.00 54.91 53.91 2o61 h ALA 258 Cb 1.18 0.58 -0.24 0.00 0.00 0.00 0.00 17.79 19.31 2o61 h ALA 258 CO 0.63 -0.49 -0.04 0.34 0.00 0.00 0.00 179.25 179.69 2o61 s ASP 259 N -5.21 6.41 0.00 0.00 2.15 -1.26 -4.95 116.67 113.81 2o61 s ASP 259 Ca -0.14 -2.09 0.00 0.00 0.43 0.00 0.00 52.55 50.75 2o61 s ASP 259 Cb 0.19 -2.22 0.00 0.00 -0.30 0.00 0.00 42.92 40.58 2o61 s ASP 259 CO 0.73 -0.79 0.92 -0.81 -0.17 0.00 0.00 175.17 175.05 2o61 n PRO 260 N 4.93 0.66 -2.83 4.34 -0.04 -1.25 -4.15 135.00 136.67 2o61 n PRO 260 Ca -0.02 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.36 2o61 n PRO 260 Cb 0.43 -1.17 0.01 0.00 -0.04 0.00 0.00 33.50 32.72 2o61 n PRO 260 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2o61 n SER 261 N 1.08 -3.00 -4.84 3.54 3.41 -1.26 -4.93 113.62 107.62 2o61 n SER 261 Ca 0.00 -2.94 -0.33 0.00 -0.26 0.00 0.00 58.87 55.35 2o61 n SER 261 Cb 0.33 1.50 -0.06 0.00 -0.26 0.00 0.00 64.21 65.72 2o61 n SER 261 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2o61 s LEU 262 N 0.45 4.05 0.00 1.04 1.02 -1.26 -4.93 118.68 119.05 2o61 s LEU 262 Ca 0.31 1.39 0.00 0.00 0.02 0.00 0.00 54.13 55.84 2o61 s LEU 262 Cb 0.05 -4.17 0.00 0.00 0.02 0.00 0.00 46.19 42.09 2o61 s LEU 262 CO -0.10 -0.23 0.11 0.00 0.02 0.00 0.00 176.35 176.14 2o61 n GLN 263 N -0.38 3.79 -3.51 1.70 1.13 -1.26 -4.38 117.38 114.47 2o61 n GLN 263 Ca 0.04 -0.11 -0.13 0.00 -1.94 0.00 0.00 57.00 54.87 2o61 n GLN 263 Cb 0.53 -0.53 -0.04 0.00 0.11 0.00 0.00 30.24 30.32 2o61 n GLN 263 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2o61 s ALA 264 N -0.57 -1.42 0.48 -1.58 0.00 -1.26 -4.97 121.76 112.43 2o61 s ALA 264 Ca 0.00 0.49 -0.21 0.00 0.00 0.00 0.00 51.96 52.25 2o61 s ALA 264 Cb 0.00 0.64 -0.08 0.00 0.00 0.00 0.00 23.12 23.68 2o61 s ALA 264 CO 0.00 -0.64 1.05 -1.25 0.00 0.00 0.00 175.76 174.92 2o61 s PRO 265 N -3.19 3.79 -0.09 0.00 0.04 -1.26 -4.58 135.00 129.71 2o61 s PRO 265 Ca -0.01 1.40 0.01 0.00 0.04 0.00 0.00 61.00 62.44 2o61 s PRO 265 Cb -0.00 -2.13 0.02 0.00 0.04 0.00 0.00 34.50 32.43 2o61 s PRO 265 CO -0.08 -0.44 -0.12 0.08 0.04 0.00 0.00 177.00 176.48 2o61 s VAL 266 N -1.93 1.19 -0.53 -0.36 1.01 -0.86 -4.93 120.40 113.99 2o61 s VAL 266 Ca 0.67 -0.46 -0.26 0.00 0.00 0.00 0.00 61.98 61.92 2o61 s VAL 266 Cb -0.18 -1.12 0.03 0.00 0.00 0.00 0.00 36.38 35.12 2o61 s VAL 266 CO 0.21 0.38 1.04 -0.13 0.00 0.00 0.00 175.10 176.61 2o61 s ARG 267 N 1.05 3.50 0.46 2.72 0.52 -1.26 -1.41 118.95 124.52 2o61 s ARG 267 Ca -0.07 0.13 0.05 0.00 -0.52 0.00 0.00 55.73 55.32 2o61 s ARG 267 Cb -0.15 -3.99 0.05 0.00 0.52 0.00 0.00 34.95 31.39 2o61 s ARG 267 CO -0.01 -1.46 0.44 1.33 0.02 0.00 0.00 175.30 175.61 2o61 n VAL 268 N 6.50 0.00 -4.43 3.52 0.24 0.18 -4.95 118.33 119.39 2o61 n VAL 268 Ca 0.07 -1.71 -0.32 0.00 -2.04 0.00 0.00 64.34 60.33 2o61 n VAL 268 Cb 0.48 -0.27 -0.10 0.00 -1.47 0.00 0.00 33.84 32.48 2o61 n VAL 268 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2o61 s SER 269 N -3.73 4.74 -0.08 -1.34 0.01 -0.72 -2.82 113.70 109.75 2o61 s SER 269 Ca 0.33 -0.10 0.01 0.00 1.31 0.00 0.00 55.95 57.50 2o61 s SER 269 Cb -0.03 -1.14 0.02 0.00 0.21 0.00 0.00 66.02 65.08 2o61 s SER 269 CO 0.21 0.29 -0.08 -0.32 0.41 0.00 0.00 173.24 173.75 2o61 s MET 270 N -1.39 1.37 -0.03 12.44 0.00 -0.91 -1.49 119.30 129.29 2o61 s MET 270 Ca 0.17 -0.24 -0.22 0.00 0.00 0.00 0.00 55.69 55.39 2o61 s MET 270 Cb -0.11 -1.34 0.04 0.00 0.00 0.00 0.00 34.83 33.43 2o61 s MET 270 CO 0.07 -0.14 0.48 1.14 0.00 0.00 0.00 175.02 176.57 2o61 s GLN 271 N 1.25 0.85 0.30 4.11 -2.07 -0.13 -0.82 119.66 123.16 2o61 s GLN 271 Ca -0.04 0.01 -0.29 0.00 -1.82 0.00 0.00 55.36 53.22 2o61 s GLN 271 Cb -0.14 0.39 -0.10 0.00 -1.09 0.00 0.00 33.01 32.07 2o61 s GLN 271 CO -0.03 -0.25 1.20 -0.51 -1.32 0.00 0.00 175.29 174.38 2o61 s LEU 272 N -1.28 4.49 -0.04 2.60 1.02 -1.26 0.10 118.68 124.32 2o61 s LEU 272 Ca -0.12 2.47 0.01 0.00 0.02 0.00 0.00 54.13 56.51 2o61 s LEU 272 Cb -0.03 -3.64 0.02 0.00 0.02 0.00 0.00 46.19 42.57 2o61 s LEU 272 CO 0.07 -0.33 -0.04 -0.60 0.02 0.00 0.00 176.35 175.47 2o61 s ARG 273 N -1.61 0.73 -0.61 1.70 3.52 0.16 -2.78 118.95 120.06 2o61 s ARG 273 Ca 0.47 -0.08 -0.16 0.00 -0.13 0.00 0.00 55.73 55.82 2o61 s ARG 273 Cb -0.36 -0.75 0.14 0.00 -1.56 0.00 0.00 34.95 32.42 2o61 s ARG 273 CO 0.47 -0.07 0.60 0.50 -0.81 0.00 0.00 175.30 175.99 2o61 s ARG 274 N 0.85 3.12 0.16 5.12 3.52 -0.92 -0.28 118.95 130.52 2o61 s ARG 274 Ca -0.11 -1.76 -0.29 0.00 -0.13 0.00 0.00 55.73 53.44 2o61 s ARG 274 Cb -0.14 -4.33 -0.03 0.00 -1.56 0.00 0.00 34.95 28.89 2o61 s ARG 274 CO -0.00 -1.38 1.55 -1.35 -0.81 0.00 0.00 175.30 173.31 2o61 h PRO 275 N 8.76 -0.13 -1.32 5.12 0.11 -1.88 -0.46 132.00 142.20 2o61 h PRO 275 Ca -0.22 0.01 0.47 0.00 0.11 0.00 0.00 66.00 66.37 2o61 h PRO 275 Cb 1.09 0.03 -0.15 0.00 0.11 0.00 0.00 31.00 32.08 2o61 h PRO 275 CO 1.00 -0.09 0.83 0.66 -0.21 0.00 0.00 178.00 180.20 2o61 h SER 276 N -0.14 0.22 0.00 -2.05 4.64 -1.93 -2.86 113.55 111.43 2o61 h SER 276 Ca 0.16 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 2o61 h SER 276 Cb 0.50 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 2o61 h SER 276 CO -0.82 -0.28 -0.12 -0.90 -0.87 0.00 0.00 176.83 173.83 2o61 n ASP 277 N -4.81 0.49 0.00 4.97 5.75 -0.95 -5.02 116.55 116.98 2o61 n ASP 277 Ca 0.40 -1.56 0.00 0.00 -0.01 0.00 0.00 54.79 53.62 2o61 n ASP 277 Cb 1.52 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 41.53 2o61 n ASP 277 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2o61 n ARG 278 N -0.19 0.00 -1.47 0.11 5.12 -0.22 -4.97 116.66 115.05 2o61 n ARG 278 Ca 0.01 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.50 2o61 n ARG 278 Cb 0.52 -3.21 -0.00 0.00 -1.16 0.00 0.00 32.46 28.61 2o61 n ARG 278 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 2o61 n GLU 279 N -2.00 0.63 -4.23 5.56 2.13 -1.24 -4.71 120.64 116.79 2o61 n GLU 279 Ca 0.00 0.23 -0.13 0.00 0.66 0.00 0.00 57.16 57.92 2o61 n GLU 279 Cb 0.00 -1.49 -0.10 0.00 0.27 0.00 0.00 31.44 30.12 2o61 n GLU 279 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2o61 s LEU 280 N 1.73 2.45 0.42 4.31 1.43 -1.26 -2.17 118.68 125.59 2o61 s LEU 280 Ca 0.62 -1.04 0.07 0.00 -1.03 0.00 0.00 54.13 52.75 2o61 s LEU 280 Cb -0.66 -0.22 -0.03 0.00 0.03 0.00 0.00 46.19 45.31 2o61 s LEU 280 CO 0.58 -0.41 0.31 -0.94 0.23 0.00 0.00 176.35 176.12 2o61 s SER 281 N -3.14 4.83 0.44 2.29 1.04 -1.12 -4.71 113.70 113.34 2o61 s SER 281 Ca 0.17 -0.87 -0.25 0.00 0.48 0.00 0.00 55.95 55.47 2o61 s SER 281 Cb 0.04 -0.52 -0.08 0.00 0.10 0.00 0.00 66.02 65.56 2o61 s SER 281 CO -0.00 -0.63 1.40 -1.61 0.98 0.00 0.00 173.24 173.38 2o61 s GLU 282 N -4.06 3.73 0.66 4.02 0.41 -1.26 -4.75 118.70 117.45 2o61 s GLU 282 Ca 0.45 2.36 -0.12 0.00 -0.41 0.00 0.00 54.97 57.26 2o61 s GLU 282 Cb -0.01 -2.67 -0.01 0.00 -1.78 0.00 0.00 34.13 29.67 2o61 s GLU 282 CO 0.26 -0.76 1.06 -1.25 -0.49 0.00 0.00 175.26 174.07 2o61 s PRO 283 N -2.42 3.08 -0.09 0.39 0.04 -1.26 -4.76 135.00 129.99 2o61 s PRO 283 Ca 0.60 1.01 0.02 0.00 0.04 0.00 0.00 61.00 62.67 2o61 s PRO 283 Cb -0.43 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.12 2o61 s PRO 283 CO 0.55 -0.98 -0.14 1.41 0.04 0.00 0.00 177.00 177.87 2o61 s MET 284 N -4.78 2.03 0.60 4.56 1.75 0.00 -4.94 119.30 118.52 2o61 s MET 284 Ca 0.59 -0.51 -0.19 0.00 -1.25 0.00 0.00 55.69 54.34 2o61 s MET 284 Cb -0.14 -1.71 -0.04 0.00 2.84 0.00 0.00 34.83 35.78 2o61 s MET 284 CO 0.50 -0.02 1.12 0.39 -0.65 0.00 0.00 175.02 176.36 2o61 n GLU 285 N 4.04 1.11 -3.64 4.11 1.02 -1.26 -2.14 120.64 123.88 2o61 n GLU 285 Ca -0.20 0.42 -0.09 0.00 -0.02 0.00 0.00 57.16 57.28 2o61 n GLU 285 Cb 0.51 -2.33 -0.07 0.00 -0.02 0.00 0.00 31.44 29.54 2o61 n GLU 285 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2o61 s PHE 286 N -1.43 -0.91 -0.04 -0.32 2.19 -1.13 -4.85 117.98 111.49 2o61 s PHE 286 Ca 0.76 1.94 0.06 0.00 0.33 0.00 0.00 56.93 60.02 2o61 s PHE 286 Cb -0.41 0.49 -0.01 0.00 -1.31 0.00 0.00 43.02 41.78 2o61 s PHE 286 CO 0.46 -0.45 -0.22 1.14 1.83 0.00 0.00 175.22 177.99 2o61 s GLN 287 N 1.17 2.06 0.36 10.12 -2.07 -0.83 0.49 119.66 130.95 2o61 s GLN 287 Ca -0.06 -0.77 -0.08 0.00 -1.82 0.00 0.00 55.36 52.63 2o61 s GLN 287 Cb -0.05 -1.83 -0.06 0.00 -1.09 0.00 0.00 33.01 29.99 2o61 s GLN 287 CO -0.13 0.37 0.68 0.71 -1.32 0.00 0.00 175.29 175.60 2o61 s TYR 288 N -0.21 3.48 0.18 9.60 1.51 -0.50 -2.34 117.35 129.07 2o61 s TYR 288 Ca 0.00 0.85 0.07 0.00 -1.01 0.00 0.00 57.07 56.98 2o61 s TYR 288 Cb -0.11 -2.28 -0.05 0.00 -0.11 0.00 0.00 41.96 39.41 2o61 s TYR 288 CO 0.02 0.00 -0.13 -0.51 -1.11 0.00 0.00 175.55 173.82 2o61 s LEU 289 N -3.79 2.54 0.75 -1.29 1.43 0.16 -2.03 118.68 116.45 2o61 s LEU 289 Ca 0.48 -1.00 -0.16 0.00 -1.03 0.00 0.00 54.13 52.42 2o61 s LEU 289 Cb -0.10 -0.59 -0.07 0.00 0.03 0.00 0.00 46.19 45.45 2o61 s LEU 289 CO 0.32 -0.20 0.14 -2.65 0.23 0.00 0.00 176.35 174.18 2o61 n PRO 290 N -0.24 0.13 -1.36 1.29 -0.02 -1.26 -1.41 135.00 132.13 2o61 n PRO 290 Ca -0.09 0.07 -0.53 0.00 -2.02 0.00 0.00 63.50 60.93 2o61 n PRO 290 Cb 0.60 -1.51 -0.08 0.00 -0.02 0.00 0.00 33.50 32.49 2o61 n PRO 290 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2o61 n ASP 291 N 0.86 0.93 0.00 2.55 -0.08 -1.26 -4.54 116.55 115.01 2o61 n ASP 291 Ca 0.07 0.92 0.00 0.00 -1.51 0.00 0.00 54.79 54.27 2o61 n ASP 291 Cb 0.51 -0.69 0.00 0.00 2.34 0.00 0.00 41.12 43.27 2o61 n ASP 291 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2o61 n ALA 1008N 3.28 0.00 -2.62 -1.67 0.00 -1.26 -5.01 120.51 113.24 2o61 n ALA 1008Ca 0.25 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.26 2o61 n ALA 1008Cb -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.38 2o61 n ALA 1008CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2o61 s ALA 1009N 0.00 3.37 0.81 0.00 0.00 -1.26 -4.94 121.76 119.74 2o61 s ALA 1009Ca 0.00 -0.27 -0.15 0.00 0.00 0.00 0.00 51.96 51.54 2o61 s ALA 1009Cb 0.00 -3.72 0.01 0.00 0.00 0.00 0.00 23.12 19.41 2o61 s ALA 1009CO 0.00 -1.76 0.63 -2.30 0.00 0.00 0.00 175.76 172.34 2o61 n PRO 1010N 7.15 0.11 -2.71 0.00 -0.02 -1.26 -4.89 135.00 133.39 2o61 n PRO 1010Ca 0.11 0.09 -0.42 0.00 -2.02 0.00 0.00 63.50 61.26 2o61 n PRO 1010Cb 0.48 -1.97 -0.03 0.00 -0.02 0.00 0.00 33.50 31.96 2o61 n PRO 1010CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2o61 s ARG 1011N -3.30 4.59 -0.78 -0.52 6.06 -1.26 -5.00 118.95 118.74 2o61 s ARG 1011Ca 0.65 1.43 -0.22 0.00 -2.50 0.00 0.00 55.73 55.09 2o61 s ARG 1011Cb -0.30 -3.44 0.08 0.00 0.06 0.00 0.00 34.95 31.35 2o61 s ARG 1011CO 0.59 0.00 1.11 0.14 -2.50 0.00 0.00 175.30 174.64 2o61 s VAL 1012N 0.80 4.29 0.08 7.11 -7.23 -1.26 -5.02 120.40 119.16 2o61 s VAL 1012Ca 0.51 -0.59 -0.22 0.00 -1.81 0.00 0.00 61.98 59.87 2o61 s VAL 1012Cb -0.22 -4.79 -0.07 0.00 0.56 0.00 0.00 36.38 31.87 2o61 s VAL 1012CO 0.28 -1.59 0.67 -0.76 -0.31 0.00 0.00 175.10 173.40 2o61 s LEU 1013N 4.08 4.51 0.20 1.32 1.43 -1.26 -4.96 118.68 123.99 2o61 s LEU 1013Ca 0.29 1.38 -0.11 0.00 -1.03 0.00 0.00 54.13 54.66 2o61 s LEU 1013Cb -0.11 -3.08 0.15 0.00 0.03 0.00 0.00 46.19 43.19 2o61 s LEU 1013CO 0.04 0.17 1.85 0.15 0.23 0.00 0.00 176.35 178.78 2o61 h PHE 1014N 4.92 0.78 -0.31 0.29 3.57 -1.97 0.98 116.94 125.21 2o61 h PHE 1014Ca -0.47 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 60.98 2o61 h PHE 1014Cb 1.21 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 2o61 h PHE 1014CO 0.66 0.46 -0.09 0.78 -2.23 0.00 0.00 178.31 177.89 2o61 h GLY 1015N 0.82 0.65 1.25 2.40 0.00 -1.95 0.15 103.07 106.41 2o61 h GLY 1015Ca 0.25 -0.55 -0.09 0.00 0.00 0.00 0.00 47.33 46.95 2o61 h GLY 1015CO -0.09 0.50 -0.03 -2.09 0.00 0.00 0.00 176.54 174.83 2o61 h GLU 1016N 0.37 0.90 -0.46 4.80 4.81 -1.94 -1.72 114.58 121.35 2o61 h GLU 1016Ca 0.08 -0.27 -0.05 0.00 -0.13 0.00 0.00 59.36 58.98 2o61 h GLU 1016Cb 0.58 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 2o61 h GLU 1016CO 0.03 0.91 0.09 2.35 -0.73 0.00 0.00 179.01 181.66 2o61 h TRP 1017N 0.83 0.80 -0.62 0.92 7.01 -0.58 -2.28 115.95 122.02 2o61 h TRP 1017Ca 0.15 -0.11 -0.05 0.00 2.11 0.00 0.00 58.89 61.00 2o61 h TRP 1017Cb 0.53 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 27.34 2o61 h TRP 1017CO 0.03 0.74 0.21 1.25 -2.79 0.00 0.00 178.44 177.88 2o61 h LEU 1018N 0.62 0.89 -0.92 0.65 6.46 -0.27 -1.49 115.31 121.26 2o61 h LEU 1018Ca 0.14 -0.20 -0.03 0.00 -0.12 0.00 0.00 57.88 57.67 2o61 h LEU 1018Cb 0.36 -0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 40.03 2o61 h LEU 1018CO 0.01 0.85 0.36 -0.07 -0.62 0.00 0.00 178.44 178.96 2o61 h LEU 1019N 0.88 1.04 -0.58 2.25 3.38 -1.18 -1.24 115.31 119.85 2o61 h LEU 1019Ca 0.20 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2o61 h LEU 1019Cb 0.27 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2o61 h LEU 1019CO -0.01 0.89 0.15 1.23 0.09 0.00 0.00 178.44 180.79 2o61 h GLY 1020N 1.15 0.99 1.27 0.83 0.00 -1.01 -1.82 103.07 104.47 2o61 h GLY 1020Ca 0.27 -0.61 -0.12 0.00 0.00 0.00 0.00 47.33 46.87 2o61 h GLY 1020CO -0.03 0.57 -0.20 0.83 0.00 0.00 0.00 176.54 177.71 2o61 h GLU 1021N 0.83 0.85 -0.66 4.80 4.39 -0.66 -0.16 114.58 123.96 2o61 h GLU 1021Ca 0.18 -0.34 -0.08 0.00 0.34 0.00 0.00 59.36 59.47 2o61 h GLU 1021Cb 0.34 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 2o61 h GLU 1021CO 0.00 0.97 0.12 0.82 -1.16 0.00 0.00 179.01 179.76 2o61 h ILE 1022N 0.74 1.26 -0.29 3.13 2.04 -1.14 -2.82 117.51 120.43 2o61 h ILE 1022Ca 0.10 -1.02 -0.10 0.00 1.00 0.00 0.00 64.86 64.84 2o61 h ILE 1022Cb 0.73 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2o61 h ILE 1022CO 0.06 0.38 -0.26 0.28 0.00 0.00 0.00 178.15 178.61 2o61 h SER 1023N 1.00 0.59 -0.92 1.72 0.02 -1.07 -3.17 113.55 111.72 2o61 h SER 1023Ca 0.20 -0.21 0.22 0.00 -0.84 0.00 0.00 61.79 61.17 2o61 h SER 1023Cb 0.42 -0.16 -0.06 0.00 0.14 0.00 0.00 62.40 62.74 2o61 h SER 1023CO 0.01 0.83 0.62 0.77 -1.14 0.00 0.00 176.83 177.92 2o61 h SER 1024N 0.51 0.32 -0.04 3.07 4.64 -0.75 -3.45 113.55 117.85 2o61 h SER 1024Ca 0.07 0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.41 2o61 h SER 1024Cb 0.71 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.77 2o61 h SER 1024CO 0.05 0.12 -0.01 0.61 -0.87 0.00 0.00 176.83 176.73 2o61 n GLY 1025N -1.56 0.45 0.74 -0.77 0.00 -1.20 -4.90 105.19 97.96 2o61 n GLY 1025Ca 0.20 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.19 2o61 n GLY 1025CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2o61 s TYR 1027N -1.90 3.09 -0.21 0.00 1.51 -1.26 -5.07 117.35 113.51 2o61 s TYR 1027Ca 0.34 -2.99 -0.40 0.00 -1.01 0.00 0.00 57.07 53.00 2o61 s TYR 1027Cb 0.20 -2.68 -0.17 0.00 -0.11 0.00 0.00 41.96 39.21 2o61 s TYR 1027CO 0.31 -0.79 1.57 0.39 -1.11 0.00 0.00 175.55 175.92 2o61 n GLU 1028N 3.46 0.87 0.00 -0.62 -0.58 -1.26 0.86 120.64 123.37 2o61 n GLU 1028Ca 0.05 0.32 0.00 0.00 -0.42 0.00 0.00 57.16 57.11 2o61 n GLU 1028Cb 0.35 -1.95 0.00 0.00 -0.57 0.00 0.00 31.44 29.27 2o61 n GLU 1028CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2o61 n GLY 1029N 3.57 2.91 3.38 0.62 0.00 -1.26 -4.89 105.19 109.52 2o61 n GLY 1029Ca 0.25 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.81 2o61 n GLY 1029CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2o61 s LEU 1030N 0.00 5.90 0.06 0.99 0.20 0.25 -4.16 118.68 121.92 2o61 s LEU 1030Ca 0.00 -2.21 -0.07 0.00 0.69 0.00 0.00 54.13 52.55 2o61 s LEU 1030Cb 0.00 -2.29 -0.01 0.00 -0.43 0.00 0.00 46.19 43.46 2o61 s LEU 1030CO 0.00 -0.85 0.13 0.00 -0.29 0.00 0.00 176.35 175.34 2o61 s GLN 1031N 1.55 0.71 0.36 1.98 -2.07 -1.20 -4.64 119.66 116.35 2o61 s GLN 1031Ca 0.21 -0.89 -0.26 0.00 -1.82 0.00 0.00 55.36 52.61 2o61 s GLN 1031Cb -0.11 0.28 -0.09 0.00 -1.09 0.00 0.00 33.01 32.00 2o61 s GLN 1031CO -0.06 -0.20 1.07 -1.58 -1.32 0.00 0.00 175.29 173.20 2o61 s TRP 1032N -3.30 3.35 -0.27 9.60 0.52 -1.26 -1.74 118.94 125.84 2o61 s TRP 1032Ca 0.01 1.66 0.15 0.00 0.02 0.00 0.00 56.10 57.94 2o61 s TRP 1032Cb 0.03 -3.19 0.67 0.00 -1.15 0.00 0.00 33.47 29.83 2o61 s TRP 1032CO -0.08 -0.64 1.58 1.28 0.02 0.00 0.00 176.95 179.11 2o61 n LEU 1033N 0.31 4.75 -3.71 2.99 4.77 -0.72 -4.92 117.00 120.47 2o61 n LEU 1033Ca 0.03 -2.93 -0.03 0.00 -0.03 0.00 0.00 56.01 53.06 2o61 n LEU 1033Cb 0.48 -0.60 -0.01 0.00 -2.33 0.00 0.00 43.42 40.95 2o61 n LEU 1033CO 0.48 0.66 0.79 1.51 -1.33 0.00 0.00 177.39 179.51 2o61 s ASP 1034N -1.35 -0.16 0.32 -1.43 3.84 -1.26 -4.97 116.67 111.66 2o61 s ASP 1034Ca 0.48 -0.32 0.17 0.00 -0.00 0.00 0.00 52.55 52.87 2o61 s ASP 1034Cb 0.37 0.41 0.34 0.00 -1.38 0.00 0.00 42.92 42.66 2o61 s ASP 1034CO 0.13 -0.75 1.57 1.05 -0.00 0.00 0.00 175.17 177.17 2o61 h GLU 1035N 2.00 0.00 0.00 2.11 4.11 -1.98 -3.11 114.58 117.71 2o61 h GLU 1035Ca -0.25 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.07 2o61 h GLU 1035Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 2o61 h GLU 1035CO 0.26 0.46 -0.50 0.00 0.07 0.00 0.00 179.01 179.31 2o61 h ALA 1036N 1.54 0.84 -4.50 1.06 0.00 -1.99 -3.48 119.26 112.73 2o61 h ALA 1036Ca -0.00 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 2o61 h ALA 1036Cb 1.18 -0.08 0.07 0.00 0.00 0.00 0.00 17.79 18.96 2o61 h ALA 1036CO 0.06 0.62 -0.29 0.54 0.00 0.00 0.00 179.25 180.18 2o61 n ARG 1037N -3.45 -1.13 0.00 0.00 1.74 -1.18 -4.97 116.66 107.67 2o61 n ARG 1037Ca 0.00 0.81 0.00 0.00 -0.77 0.00 0.00 57.85 57.89 2o61 n ARG 1037Cb 0.63 -4.18 0.00 0.00 -1.02 0.00 0.00 32.46 27.89 2o61 n ARG 1037CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2o61 n THR 1038N -2.07 0.00 -4.21 0.55 -2.24 -1.26 -5.00 114.28 100.05 2o61 n THR 1038Ca -0.02 -0.27 -0.19 0.00 -2.27 0.00 0.00 64.05 61.30 2o61 n THR 1038Cb 0.54 0.90 -0.12 0.00 -2.10 0.00 0.00 70.33 69.55 2o61 n THR 1038CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2o61 s PHE 1040N -1.21 -0.50 0.01 0.00 -0.12 -0.08 -1.75 117.98 114.33 2o61 s PHE 1040Ca -0.01 0.36 0.04 0.00 -0.05 0.00 0.00 56.93 57.27 2o61 s PHE 1040Cb -0.10 0.49 -0.03 0.00 -0.63 0.00 0.00 43.02 42.74 2o61 s PHE 1040CO 0.02 -0.79 -0.09 -0.98 -0.05 0.00 0.00 175.22 173.34 2o61 s ARG 1041N -3.40 2.48 -0.12 1.99 1.70 -0.71 -0.13 118.95 120.76 2o61 s ARG 1041Ca -0.00 -0.76 0.02 0.00 -0.47 0.00 0.00 55.73 54.51 2o61 s ARG 1041Cb -0.00 -2.45 0.01 0.00 -0.57 0.00 0.00 34.95 31.94 2o61 s ARG 1041CO -0.10 0.59 -0.18 0.08 -1.08 0.00 0.00 175.30 174.62 2o61 s VAL 1042N -0.98 1.69 0.26 4.99 1.01 0.57 -3.25 120.40 124.70 2o61 s VAL 1042Ca 0.17 -0.76 -0.31 0.00 0.00 0.00 0.00 61.98 61.07 2o61 s VAL 1042Cb -0.11 -1.52 -0.12 0.00 0.00 0.00 0.00 36.38 34.63 2o61 s VAL 1042CO 0.07 0.48 1.59 -0.81 0.00 0.00 0.00 175.10 176.42 2o61 n PRO 1043N 4.13 2.56 -2.72 2.72 -0.04 -1.26 -0.93 135.00 139.45 2o61 n PRO 1043Ca -0.19 0.91 -0.10 0.00 -0.04 0.00 0.00 63.50 64.08 2o61 n PRO 1043Cb 0.51 -2.69 0.02 0.00 -0.04 0.00 0.00 33.50 31.31 2o61 n PRO 1043CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 2o61 n TRP 1044N 2.54 1.04 -2.26 0.54 -0.00 -0.41 -4.83 117.44 114.06 2o61 n TRP 1044Ca 0.11 -2.91 -0.41 0.00 -0.00 0.00 0.00 57.50 54.29 2o61 n TRP 1044Cb 0.35 -0.38 -0.03 0.00 -0.00 0.00 0.00 31.31 31.24 2o61 n TRP 1044CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 177.69 177.90 2o61 s LYS 1045N -3.04 4.46 0.23 5.87 2.20 -1.25 -4.52 119.74 123.69 2o61 s LYS 1045Ca 0.29 2.04 -0.32 0.00 -0.36 0.00 0.00 55.97 57.62 2o61 s LYS 1045Cb 0.45 -3.14 -0.12 0.00 -1.51 0.00 0.00 37.83 33.51 2o61 s LYS 1045CO 0.03 -0.06 1.61 1.58 -0.36 0.00 0.00 175.35 178.14 2o61 n HIS 1046N 1.30 2.61 1.68 4.03 -0.00 -1.26 -4.87 115.22 118.71 2o61 n HIS 1046Ca 0.01 0.21 0.14 0.00 -0.00 0.00 0.00 57.72 58.08 2o61 n HIS 1046Cb 0.43 -2.59 0.82 0.00 -0.00 0.00 0.00 29.99 28.65 2o61 n HIS 1046CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 2o61 n PHE 1047N 2.98 0.00 0.78 1.57 0.99 -1.26 -2.85 117.46 119.67 2o61 n PHE 1047Ca 0.13 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.71 2o61 n PHE 1047Cb 0.34 -0.09 0.48 0.00 -1.00 0.00 0.00 39.48 39.21 2o61 n PHE 1047CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2o61 n ALA 1048N -1.09 2.36 -2.04 4.37 0.00 -1.26 -4.83 120.51 118.02 2o61 n ALA 1048Ca 0.19 -0.07 -0.42 0.00 0.00 0.00 0.00 53.44 53.14 2o61 n ALA 1048Cb 0.14 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.11 2o61 n ALA 1048CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2o61 s ARG 1049N -3.06 4.25 0.00 0.00 0.52 -1.13 -4.91 118.95 114.62 2o61 s ARG 1049Ca 0.12 2.22 0.17 0.00 -0.52 0.00 0.00 55.73 57.72 2o61 s ARG 1049Cb 0.15 -3.30 0.85 0.00 0.52 0.00 0.00 34.95 33.17 2o61 s ARG 1049CO 0.58 -0.57 1.49 1.63 0.02 0.00 0.00 175.30 178.45 2o61 n LYS 1050N 4.38 0.24 -0.01 3.54 5.02 -1.26 -2.32 118.16 127.76 2o61 n LYS 1050Ca 0.13 0.13 0.11 0.00 -2.02 0.00 0.00 58.31 56.66 2o61 n LYS 1050Cb 0.41 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 34.01 2o61 n LYS 1050CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2o61 n ASP 1051N -1.28 2.80 -4.49 4.39 5.75 -1.26 -4.98 116.55 117.48 2o61 n ASP 1051Ca 0.08 -1.89 -0.59 0.00 -0.01 0.00 0.00 54.79 52.38 2o61 n ASP 1051Cb 0.13 -0.01 -0.09 0.00 -1.03 0.00 0.00 41.12 40.12 2o61 n ASP 1051CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2o61 n LEU 1052N 1.20 1.53 -5.02 -2.12 7.94 -0.98 -4.93 117.00 114.63 2o61 n LEU 1052Ca 0.13 0.79 -0.20 0.00 -1.11 0.00 0.00 56.01 55.62 2o61 n LEU 1052Cb 0.53 -1.04 0.06 0.00 0.53 0.00 0.00 43.42 43.51 2o61 n LEU 1052CO 0.13 -0.70 0.35 -0.94 -1.11 0.00 0.00 177.39 175.13 2o61 s SER 1053N 5.25 5.07 0.06 1.96 1.04 -1.26 -5.00 113.70 120.81 2o61 s SER 1053Ca 1.10 -0.59 -0.27 0.00 0.48 0.00 0.00 55.95 56.68 2o61 s SER 1053Cb -1.25 -0.06 -0.17 0.00 0.10 0.00 0.00 66.02 64.64 2o61 s SER 1053CO 0.65 -1.32 1.55 1.05 0.98 0.00 0.00 173.24 176.15 2o61 h GLU 1054N 0.11 -0.34 -0.79 4.02 -0.00 -1.98 -2.56 114.58 113.04 2o61 h GLU 1054Ca -0.34 0.02 0.19 0.00 -0.00 0.00 0.00 59.36 59.23 2o61 h GLU 1054Cb 1.28 0.08 -0.05 0.00 -0.00 0.00 0.00 28.75 30.06 2o61 h GLU 1054CO 0.42 -0.14 0.54 0.00 -0.00 0.00 0.00 179.01 179.83 2o61 h ALA 1055N 0.22 2.34 0.00 1.06 0.00 -1.97 0.82 119.26 121.73 2o61 h ALA 1055Ca -0.04 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2o61 h ALA 1055Cb 0.36 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2o61 h ALA 1055CO 0.06 -0.57 -0.12 -0.44 0.00 0.00 0.00 179.25 178.18 2o61 h ASP 1056N 0.27 0.00 0.00 0.00 3.32 -1.82 -2.99 116.42 115.20 2o61 h ASP 1056Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 2o61 h ASP 1056Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 2o61 h ASP 1056CO -0.10 0.12 -0.03 0.00 -1.72 0.00 0.00 179.24 177.51 2o61 n ALA 1057N -2.40 2.23 -0.13 3.45 0.00 0.19 -4.71 120.51 119.14 2o61 n ALA 1057Ca -0.02 -2.48 -0.09 0.00 0.00 0.00 0.00 53.44 50.85 2o61 n ALA 1057Cb 0.21 -0.37 -0.01 0.00 0.00 0.00 0.00 19.45 19.28 2o61 n ALA 1057CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2o61 h ARG 1058N 0.00 0.59 -0.37 0.00 2.43 -1.16 -1.81 114.38 114.07 2o61 h ARG 1058Ca 0.00 -0.10 -0.13 0.00 -0.81 0.00 0.00 59.98 58.94 2o61 h ARG 1058Cb 1.00 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.44 2o61 h ARG 1058CO 0.00 0.55 -0.28 0.97 -1.51 0.00 0.00 179.97 179.70 2o61 h ILE 1059N 0.50 1.28 -0.65 1.20 6.09 -1.88 0.10 117.51 124.15 2o61 h ILE 1059Ca 0.13 -1.41 -0.05 0.00 -1.37 0.00 0.00 64.86 62.16 2o61 h ILE 1059Cb 0.17 1.29 -0.03 0.00 0.47 0.00 0.00 36.82 38.72 2o61 h ILE 1059CO -0.01 0.47 0.20 -0.26 -3.07 0.00 0.00 178.15 175.48 2o61 h PHE 1060N 0.66 1.04 -0.24 2.19 -1.00 -1.85 -2.16 116.94 115.58 2o61 h PHE 1060Ca 0.08 -0.10 -0.13 0.00 2.81 0.00 0.00 57.97 60.63 2o61 h PHE 1060Cb 0.80 -0.30 -0.01 0.00 3.61 0.00 0.00 35.95 40.05 2o61 h PHE 1060CO 0.04 0.84 -0.38 -0.22 -1.61 0.00 0.00 178.31 176.99 2o61 h LYS 1061N 0.93 0.54 -0.73 1.51 3.64 -1.14 -2.87 116.57 118.46 2o61 h LYS 1061Ca 0.21 -0.26 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 2o61 h LYS 1061Cb 0.29 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 2o61 h LYS 1061CO -0.01 0.84 0.39 0.00 -2.27 0.00 0.00 179.45 178.40 2o61 h ALA 1062N 1.14 1.32 -0.37 5.00 0.00 -0.56 -0.25 119.26 125.54 2o61 h ALA 1062Ca 0.04 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2o61 h ALA 1062Cb 0.86 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2o61 h ALA 1062CO 0.07 0.55 -0.26 2.35 0.00 0.00 0.00 179.25 181.96 2o61 h TRP 1063N 1.02 0.87 -0.37 0.00 -0.00 -1.32 -1.13 115.95 115.02 2o61 h TRP 1063Ca 0.26 -0.21 -0.05 0.00 -0.00 0.00 0.00 58.89 58.89 2o61 h TRP 1063Cb 0.04 -0.20 -0.01 0.00 -0.00 0.00 0.00 29.16 28.98 2o61 h TRP 1063CO 0.01 0.94 0.04 0.00 -0.00 0.00 0.00 178.44 179.42 2o61 h ALA 1064N 1.05 0.49 -0.61 2.65 0.00 -1.09 -2.63 119.26 119.12 2o61 h ALA 1064Ca 0.08 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 2o61 h ALA 1064Cb 0.78 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2o61 h ALA 1064CO 0.06 0.22 0.00 0.28 0.00 0.00 0.00 179.25 179.81 2o61 h VAL 1065N 0.45 1.27 -0.38 0.00 2.07 -0.96 -1.30 116.25 117.40 2o61 h VAL 1065Ca 0.11 -1.15 -0.04 0.00 0.82 0.00 0.00 66.70 66.44 2o61 h VAL 1065Cb 0.39 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2o61 h VAL 1065CO 0.01 0.42 0.07 0.00 0.02 0.00 0.00 177.57 178.09 2o61 h ALA 1066N 1.01 1.42 -0.34 1.67 0.00 -1.15 -1.76 119.26 120.12 2o61 h ALA 1066Ca 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2o61 h ALA 1066Cb 0.56 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2o61 h ALA 1066CO 0.03 0.42 0.00 0.54 0.00 0.00 0.00 179.25 180.24 2o61 n ARG 1067N -4.32 2.05 -1.93 0.00 5.12 -1.00 -4.93 116.66 111.66 2o61 n ARG 1067Ca 0.02 -1.32 -0.15 0.00 -1.93 0.00 0.00 57.85 54.47 2o61 n ARG 1067Cb 0.20 -1.41 -0.03 0.00 -1.16 0.00 0.00 32.46 30.06 2o61 n ARG 1067CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2o61 n GLY 1068N 0.89 0.51 1.37 -0.13 0.00 -0.66 -4.89 105.19 102.28 2o61 n GLY 1068Ca 0.12 -0.27 0.10 0.00 0.00 0.00 0.00 46.02 45.97 2o61 n GLY 1068CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2o61 n ARG 1069N -2.50 3.21 -3.57 1.61 1.74 -0.52 -4.87 116.66 111.76 2o61 n ARG 1069Ca -0.17 -2.71 -0.01 0.00 -0.77 0.00 0.00 57.85 54.18 2o61 n ARG 1069Cb 0.58 -1.69 -0.05 0.00 -1.02 0.00 0.00 32.46 30.28 2o61 n ARG 1069CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 2o61 s TRP 1070N -1.44 -1.01 0.24 -1.55 -0.11 -1.25 -4.90 118.94 108.93 2o61 s TRP 1070Ca 0.47 1.82 -0.31 0.00 1.22 0.00 0.00 56.10 59.30 2o61 s TRP 1070Cb 0.28 0.61 -0.13 0.00 -1.50 0.00 0.00 33.47 32.73 2o61 s TRP 1070CO 0.27 -0.50 1.50 -0.35 -4.62 0.00 0.00 176.95 173.25 2o61 n PRO 1071N 4.92 2.27 0.00 5.86 -0.04 -1.26 -4.38 135.00 142.37 2o61 n PRO 1071Ca -0.13 0.81 0.00 0.00 -0.04 0.00 0.00 63.50 64.14 2o61 n PRO 1071Cb 0.53 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 2o61 n PRO 1071CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2o61 n PRO 1072N 2.35 1.91 -3.50 0.54 -0.04 -1.26 -5.03 135.00 129.97 2o61 n PRO 1072Ca 0.12 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.36 2o61 n PRO 1072Cb 0.33 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.79 2o61 n PRO 1072CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2o61 s SER 1073N -1.72 4.97 0.00 3.54 0.01 -1.26 -4.95 113.70 114.29 2o61 s SER 1073Ca 0.00 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 56.34 2o61 s SER 1073Cb 0.00 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.21 2o61 s SER 1073CO 0.00 -0.99 0.00 -1.20 0.41 0.00 0.00 173.24 171.46 2o61 n SER 1074N -1.82 0.00 0.00 2.44 7.64 -1.26 -5.16 113.62 115.45 2o61 n SER 1074Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 2o61 n SER 1074Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 2o61 n SER 1074CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2o61 n ARG 1075N 0.00 0.00 -1.75 1.43 0.63 -1.26 -5.20 116.66 110.51 2o61 n ARG 1075Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2o61 n ARG 1075Cb 0.00 -0.89 0.00 0.00 0.45 0.00 0.00 32.46 32.02 2o61 n ARG 1075CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2o61 n PRO 1079N -0.43 -2.45 -1.43 -0.14 -0.04 -1.26 -5.34 135.00 123.90 2o61 n PRO 1079Ca 0.00 1.74 -0.29 0.00 -0.04 0.00 0.00 63.50 64.91 2o61 n PRO 1079Cb 0.00 -2.17 0.14 0.00 -0.04 0.00 0.00 33.50 31.43 2o61 n PRO 1079CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2o61 s PRO 1080N -0.59 1.00 -0.01 0.54 0.04 -1.26 -5.14 135.00 129.58 2o61 s PRO 1080Ca 0.00 0.38 -0.21 0.00 0.04 0.00 0.00 61.00 61.21 2o61 s PRO 1080Cb 0.00 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.67 2o61 s PRO 1080CO 0.00 -2.31 0.61 -1.25 0.04 0.00 0.00 177.00 174.09 2o61 s PRO 1081N -5.18 4.34 0.00 0.56 0.04 -1.26 -4.95 135.00 128.55 2o61 s PRO 1081Ca 0.64 0.76 0.05 0.00 0.04 0.00 0.00 61.00 62.49 2o61 s PRO 1081Cb -0.16 -3.35 0.30 0.00 0.04 0.00 0.00 34.50 31.32 2o61 s PRO 1081CO 0.55 0.33 0.71 -1.91 0.04 0.00 0.00 177.00 176.72 2o61 n GLU 1082N 2.84 0.40 0.00 4.56 4.07 -1.26 -3.06 120.64 128.19 2o61 n GLU 1082Ca -0.06 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.04 2o61 n GLU 1082Cb 0.51 -1.19 0.00 0.00 -0.06 0.00 0.00 31.44 30.70 2o61 n GLU 1082CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2o61 n ALA 1083N -0.69 2.22 0.22 4.31 0.00 -1.26 -3.53 120.51 121.78 2o61 n ALA 1083Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.59 2o61 n ALA 1083Cb 0.02 -1.00 0.29 0.00 0.00 0.00 0.00 19.45 18.76 2o61 n ALA 1083CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2o61 h GLU 1084N 0.46 0.00 -0.00 0.00 4.81 -1.97 -3.18 114.58 114.69 2o61 h GLU 1084Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2o61 h GLU 1084Cb 0.68 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.06 2o61 h GLU 1084CO 0.00 0.11 -0.36 2.41 -0.73 0.00 0.00 179.01 180.45 2o61 n THR 1085N -3.16 0.00 0.11 0.32 -1.04 -1.23 -3.43 114.28 105.85 2o61 n THR 1085Ca 0.02 -0.03 -0.18 0.00 -2.04 0.00 0.00 64.05 61.83 2o61 n THR 1085Cb 0.50 0.14 -0.13 0.00 -1.82 0.00 0.00 70.33 69.02 2o61 n THR 1085CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2o61 h ALA 1086N 3.16 0.07 -0.02 2.41 0.00 -1.85 -3.32 119.26 119.71 2o61 h ALA 1086Ca 0.00 -0.85 -0.06 0.00 0.00 0.00 0.00 54.91 53.99 2o61 h ALA 1086Cb 0.49 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2o61 h ALA 1086CO 0.00 0.89 -0.28 0.93 0.00 0.00 0.00 179.25 180.78 2o61 h GLU 1087N 0.12 0.04 -0.82 0.00 4.39 -1.66 -3.36 114.58 113.29 2o61 h GLU 1087Ca -0.15 -0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.59 2o61 h GLU 1087Cb 1.96 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 30.55 2o61 h GLU 1087CO 0.21 0.32 0.53 0.00 -1.16 0.00 0.00 179.01 178.92 2o61 h ARG 1088N 0.04 0.89 -0.66 2.33 3.08 -1.66 -1.04 114.38 117.36 2o61 h ARG 1088Ca 0.00 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 2o61 h ARG 1088Cb 0.53 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 2o61 h ARG 1088CO 0.04 0.59 0.29 0.00 -1.07 0.00 0.00 179.97 179.81 2o61 h ALA 1089N 1.55 0.85 -0.52 0.04 0.00 -1.82 -0.28 119.26 119.08 2o61 h ALA 1089Ca 0.35 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 2o61 h ALA 1089Cb 0.20 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2o61 h ALA 1089CO -0.12 0.45 0.00 0.78 0.00 0.00 0.00 179.25 180.36 2o61 h GLY 1090N 0.92 0.96 1.14 0.00 0.00 -1.64 -1.21 103.07 103.24 2o61 h GLY 1090Ca 0.22 -0.66 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 2o61 h GLY 1090CO -0.02 0.61 0.43 1.49 0.00 0.00 0.00 176.54 179.05 2o61 h TRP 1091N 0.82 1.10 -0.31 5.60 6.55 -0.58 0.68 115.95 129.82 2o61 h TRP 1091Ca 0.16 -0.03 -0.08 0.00 0.95 0.00 0.00 58.89 59.89 2o61 h TRP 1091Cb 0.49 -0.35 -0.01 0.00 -0.86 0.00 0.00 29.16 28.43 2o61 h TRP 1091CO 0.03 0.77 -0.11 -0.22 -1.05 0.00 0.00 178.44 177.86 2o61 h LYS 1092N 1.12 0.62 -0.37 0.49 3.64 -0.38 -2.29 116.57 119.40 2o61 h LYS 1092Ca 0.28 -0.26 -0.11 0.00 -1.27 0.00 0.00 60.65 59.30 2o61 h LYS 1092Cb 0.04 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2o61 h LYS 1092CO -0.04 0.83 -0.21 1.79 -2.27 0.00 0.00 179.45 179.54 2o61 h THR 1093N 0.39 1.27 -0.79 1.00 1.35 -0.72 0.13 112.91 115.53 2o61 h THR 1093Ca 0.07 -1.30 -0.04 0.00 -0.55 0.00 0.00 66.41 64.59 2o61 h THR 1093Cb 0.62 1.21 -0.04 0.00 -1.73 0.00 0.00 68.15 68.21 2o61 h THR 1093CO 0.04 0.43 0.34 0.78 -0.25 0.00 0.00 175.52 176.86 2o61 h ASN 1094N 0.64 1.05 -0.35 5.36 4.21 -0.87 0.22 115.58 125.84 2o61 h ASN 1094Ca 0.09 -0.14 -0.08 0.00 1.21 0.00 0.00 56.30 57.38 2o61 h ASN 1094Cb 0.70 -0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 37.62 2o61 h ASN 1094CO 0.05 0.91 -0.09 0.15 -1.29 0.00 0.00 177.43 177.17 2o61 h PHE 1095N 1.13 0.76 -0.37 1.19 3.57 -0.85 -0.35 116.94 122.02 2o61 h PHE 1095Ca 0.27 -0.17 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 2o61 h PHE 1095Cb 0.17 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 2o61 h PHE 1095CO 0.02 0.84 0.01 -0.09 -2.23 0.00 0.00 178.31 176.86 2o61 h ARG 1096N 0.47 0.66 -0.44 1.11 2.43 -0.27 -1.65 114.38 116.69 2o61 h ARG 1096Ca 0.09 -0.20 -0.10 0.00 -0.81 0.00 0.00 59.98 58.95 2o61 h ARG 1096Cb 0.60 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 2o61 h ARG 1096CO 0.04 0.75 -0.13 0.00 -1.51 0.00 0.00 179.97 179.12 2o61 h ALA 1098N 0.86 1.06 -0.64 0.00 0.00 -1.01 -0.39 119.26 119.13 2o61 h ALA 1098Ca 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2o61 h ALA 1098Cb 0.67 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2o61 h ALA 1098CO 0.05 0.67 0.37 1.25 0.00 0.00 0.00 179.25 181.59 2o61 h LEU 1099N 1.18 0.79 -0.36 0.00 7.12 -1.01 -2.02 115.31 121.01 2o61 h LEU 1099Ca 0.27 -0.08 -0.09 0.00 0.13 0.00 0.00 57.88 58.12 2o61 h LEU 1099Cb 0.19 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 40.11 2o61 h LEU 1099CO -0.03 0.64 -0.11 -0.09 -0.13 0.00 0.00 178.44 178.72 2o61 h ARG 1100N 0.88 0.71 -0.74 1.25 2.43 -0.60 -3.12 114.38 115.18 2o61 h ARG 1100Ca 0.23 -0.28 0.03 0.00 -0.81 0.00 0.00 59.98 59.15 2o61 h ARG 1100Cb 0.01 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.48 2o61 h ARG 1100CO -0.04 0.88 0.47 0.66 -1.51 0.00 0.00 179.97 180.43 2o61 h SER 1101N 0.50 0.78 -1.13 -3.80 4.64 -0.77 -2.13 113.55 111.64 2o61 h SER 1101Ca 0.09 -0.00 0.32 0.00 -0.47 0.00 0.00 61.79 61.73 2o61 h SER 1101Cb 0.63 -0.17 -0.05 0.00 -0.31 0.00 0.00 62.40 62.49 2o61 h SER 1101CO 0.04 0.54 0.80 0.74 -0.87 0.00 0.00 176.83 178.08 2o61 h THR 1102N 0.92 0.44 0.00 2.95 2.02 -1.30 -3.44 112.91 114.49 2o61 h THR 1102Ca 0.30 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.46 2o61 h THR 1102Cb 0.01 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 2o61 h THR 1102CO -0.11 0.01 0.00 0.54 0.37 0.00 0.00 175.52 176.33 2o61 n ARG 1103N -4.26 -1.51 -0.04 6.66 5.12 -0.80 -4.80 116.66 117.02 2o61 n ARG 1103Ca 0.25 0.38 0.12 0.00 -1.93 0.00 0.00 57.85 56.67 2o61 n ARG 1103Cb 1.16 -4.81 0.36 0.00 -1.16 0.00 0.00 32.46 28.01 2o61 n ARG 1103CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2o61 n ARG 1104N 0.23 1.92 -4.20 5.56 0.63 -1.26 -4.80 116.66 114.74 2o61 n ARG 1104Ca 0.00 -1.36 -0.12 0.00 -0.92 0.00 0.00 57.85 55.45 2o61 n ARG 1104Cb 0.38 -1.46 -0.10 0.00 0.45 0.00 0.00 32.46 31.73 2o61 n ARG 1104CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2o61 s PHE 1105N -1.89 1.04 0.02 -0.14 0.40 -1.26 -1.93 117.98 114.22 2o61 s PHE 1105Ca 0.34 -1.02 0.01 0.00 -0.60 0.00 0.00 56.93 55.67 2o61 s PHE 1105Cb 0.20 -0.60 -0.02 0.00 0.51 0.00 0.00 43.02 43.11 2o61 s PHE 1105CO 0.31 -0.24 -0.04 0.08 0.70 0.00 0.00 175.22 176.03 2o61 s VAL 1106N -3.71 0.26 -0.23 -0.44 1.01 0.16 -4.76 120.40 112.69 2o61 s VAL 1106Ca 0.20 -0.75 -0.16 0.00 0.00 0.00 0.00 61.98 61.27 2o61 s VAL 1106Cb 0.06 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 2o61 s VAL 1106CO 0.01 -0.32 0.41 -0.32 0.00 0.00 0.00 175.10 174.88 2o61 s MET 1107N -1.13 4.12 -0.19 2.72 1.75 -1.26 0.36 119.30 125.66 2o61 s MET 1107Ca -0.10 0.18 -0.23 0.00 -1.25 0.00 0.00 55.69 54.30 2o61 s MET 1107Cb -0.08 -3.59 -0.20 0.00 2.84 0.00 0.00 34.83 33.80 2o61 s MET 1107CO -0.00 -0.15 0.32 -0.07 -0.65 0.00 0.00 175.02 174.47 2o61 h LEU 1108N 8.08 0.00 -7.54 4.11 3.38 -1.27 -3.42 115.31 118.65 2o61 h LEU 1108Ca -0.34 -0.60 -0.21 0.00 0.09 0.00 0.00 57.88 56.82 2o61 h LEU 1108Cb 1.16 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.63 2o61 h LEU 1108CO 0.70 1.39 -0.57 -0.13 0.09 0.00 0.00 178.44 179.92 2o61 s ARG 1109N -2.33 0.14 -0.93 1.13 3.00 -1.13 -2.89 118.95 115.94 2o61 s ARG 1109Ca -0.27 0.26 -0.10 0.00 0.00 0.00 0.00 55.73 55.62 2o61 s ARG 1109Cb 0.04 -0.00 0.24 0.00 0.00 0.00 0.00 34.95 35.23 2o61 s ARG 1109CO 0.61 -0.07 0.88 0.34 0.00 0.00 0.00 175.30 177.06 2o61 s ASP 1110N 0.43 6.76 -0.26 0.23 2.15 -1.26 -0.19 116.67 124.53 2o61 s ASP 1110Ca -0.03 -3.18 0.02 0.00 0.43 0.00 0.00 52.55 49.79 2o61 s ASP 1110Cb -0.04 -2.14 0.35 0.00 -0.30 0.00 0.00 42.92 40.79 2o61 s ASP 1110CO -0.02 -0.40 1.57 0.59 -0.17 0.00 0.00 175.17 176.74 2o61 n ASN 1111N 3.24 3.82 -0.96 -0.34 5.03 -0.44 -4.33 115.26 121.29 2o61 n ASN 1111Ca 0.18 -2.92 -0.01 0.00 0.87 0.00 0.00 54.58 52.69 2o61 n ASN 1111Cb 0.42 -0.73 0.03 0.00 -1.02 0.00 0.00 39.78 38.48 2o61 n ASN 1111CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 2o61 n SER 1112N -0.34 2.50 0.00 6.41 3.41 -0.79 -1.92 113.62 122.89 2o61 n SER 1112Ca 0.33 -2.16 0.00 0.00 -0.26 0.00 0.00 58.87 56.78 2o61 n SER 1112Cb 1.08 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 2o61 n SER 1112CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2o61 n GLY 1113N 0.22 -0.12 2.03 5.00 0.00 -1.26 -4.83 105.19 106.23 2o61 n GLY 1113Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 2o61 n GLY 1113CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2o61 n ASP 1114N -1.10 -0.24 -0.19 1.61 5.75 -1.26 -4.67 116.55 116.45 2o61 n ASP 1114Ca 0.00 -0.07 0.15 0.00 -0.01 0.00 0.00 54.79 54.87 2o61 n ASP 1114Cb 0.00 -0.44 0.29 0.00 -1.03 0.00 0.00 41.12 39.93 2o61 n ASP 1114CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 2o61 n PRO 1115N 4.23 -0.04 0.27 0.11 -0.04 -1.26 -1.19 135.00 137.08 2o61 n PRO 1115Ca 0.39 0.83 -0.16 0.00 -0.04 0.00 0.00 63.50 64.51 2o61 n PRO 1115Cb 0.04 -1.43 -0.09 0.00 -0.04 0.00 0.00 33.50 31.99 2o61 n PRO 1115CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2o61 h ALA 1116N 1.17 -1.12 -3.17 0.55 0.00 -1.99 -3.38 119.26 111.32 2o61 h ALA 1116Ca 0.45 -0.18 -0.63 0.00 0.00 0.00 0.00 54.91 54.56 2o61 h ALA 1116Cb 1.12 0.67 -0.41 0.00 0.00 0.00 0.00 17.79 19.18 2o61 h ALA 1116CO -0.48 -1.15 -0.68 0.34 0.00 0.00 0.00 179.25 177.29 2o61 s ASP 1117N -4.10 4.02 -0.28 0.00 -1.08 -0.33 -5.09 116.67 109.81 2o61 s ASP 1117Ca -0.16 -2.95 -0.27 0.00 -0.52 0.00 0.00 52.55 48.66 2o61 s ASP 1117Cb 0.04 -1.37 0.01 0.00 -1.46 0.00 0.00 42.92 40.14 2o61 s ASP 1117CO 0.53 -0.23 0.96 -1.10 0.52 0.00 0.00 175.17 175.85 2o61 s GLN 1118N -0.14 4.10 0.11 4.34 -0.21 -1.24 -4.71 119.66 121.91 2o61 s GLN 1118Ca 0.18 1.00 -0.26 0.00 0.02 0.00 0.00 55.36 56.30 2o61 s GLN 1118Cb -0.22 -3.70 0.08 0.00 1.00 0.00 0.00 33.01 30.16 2o61 s GLN 1118CO -0.02 -0.73 0.94 -3.38 -2.12 0.00 0.00 175.29 169.98 2o61 s HIS 1119N 3.25 -0.20 0.11 0.91 -3.43 -0.81 -1.29 115.29 113.84 2o61 s HIS 1119Ca 0.40 -0.06 0.10 0.00 -0.80 0.00 0.00 55.06 54.71 2o61 s HIS 1119Cb -0.14 0.61 -0.04 0.00 -1.43 0.00 0.00 32.58 31.58 2o61 s HIS 1119CO 0.11 -0.74 -0.26 0.15 -2.00 0.00 0.00 174.74 172.01 2o61 s LYS 1120N -3.23 1.53 -0.12 -0.38 1.02 -0.11 -1.33 119.74 117.12 2o61 s LYS 1120Ca 0.10 -1.28 0.00 0.00 0.02 0.00 0.00 55.97 54.81 2o61 s LYS 1120Cb -0.01 -1.95 -0.02 0.00 -0.52 0.00 0.00 37.83 35.33 2o61 s LYS 1120CO -0.01 0.47 -0.12 0.08 -0.92 0.00 0.00 175.35 174.84 2o61 s VAL 1121N -1.03 3.12 0.15 3.17 1.01 0.74 -0.31 120.40 127.25 2o61 s VAL 1121Ca 0.14 -0.65 0.08 0.00 0.00 0.00 0.00 61.98 61.55 2o61 s VAL 1121Cb -0.10 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 2o61 s VAL 1121CO 0.06 0.53 -0.17 -0.31 0.00 0.00 0.00 175.10 175.21 2o61 s TYR 1122N 0.21 1.72 0.04 5.22 1.51 0.81 -0.75 117.35 126.11 2o61 s TYR 1122Ca -0.08 -0.49 0.07 0.00 -1.01 0.00 0.00 57.07 55.56 2o61 s TYR 1122Cb -0.15 -0.87 -0.02 0.00 -0.11 0.00 0.00 41.96 40.80 2o61 s TYR 1122CO 0.05 0.28 -0.19 0.00 -1.11 0.00 0.00 175.55 174.58 2o61 s ALA 1123N -2.05 1.62 0.38 3.71 0.00 0.16 -0.90 121.76 124.68 2o61 s ALA 1123Ca 0.14 -0.99 -0.26 0.00 0.00 0.00 0.00 51.96 50.85 2o61 s ALA 1123Cb -0.06 -0.31 -0.09 0.00 0.00 0.00 0.00 23.12 22.66 2o61 s ALA 1123CO 0.06 0.36 1.16 -0.51 0.00 0.00 0.00 175.76 176.83 2o61 s LEU 1124N -1.11 4.24 -0.22 0.00 1.43 -0.45 0.39 118.68 122.97 2o61 s LEU 1124Ca 0.06 2.34 -0.40 0.00 -1.03 0.00 0.00 54.13 55.11 2o61 s LEU 1124Cb -0.08 -3.96 -0.16 0.00 0.03 0.00 0.00 46.19 42.01 2o61 s LEU 1124CO 0.01 -0.60 1.66 -1.20 0.23 0.00 0.00 176.35 176.45 2o61 n SER 1125N 0.23 2.17 -2.77 2.29 7.64 -0.81 -4.01 113.62 118.35 2o61 n SER 1125Ca 0.03 1.09 -0.03 0.00 1.01 0.00 0.00 58.87 60.98 2o61 n SER 1125Cb 0.46 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 2o61 n SER 1125CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2o61 n GLY 1126N 3.85 -3.29 0.00 0.23 0.00 -1.26 -4.97 105.19 99.74 2o61 n GLY 1126Ca 0.25 0.74 0.00 0.00 0.00 0.00 0.00 46.02 47.01 2o61 n GLY 1126CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2o61 n SER 1127N 0.37 0.00 0.00 1.61 3.41 -1.26 -4.96 113.62 112.79 2o61 n SER 1127Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 2o61 n SER 1127Cb 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 2o61 n SER 1127CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2o61 n LEU 1128N 0.00 0.00 -4.55 1.04 -0.00 -1.26 -5.11 117.00 107.12 2o61 n LEU 1128Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 56.01 55.63 2o61 n LEU 1128Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.39 2o61 n LEU 1128CO 0.00 0.00 1.63 -0.94 -0.00 0.00 0.00 177.39 178.08 2o61 s SER 1129N 0.00 5.20 -0.42 1.45 1.04 -1.26 -4.83 113.70 114.89 2o61 s SER 1129Ca 0.00 0.35 0.09 0.00 0.48 0.00 0.00 55.95 56.87 2o61 s SER 1129Cb 0.00 -2.53 0.28 0.00 0.10 0.00 0.00 66.02 63.87 2o61 s SER 1129CO 0.00 -2.43 0.62 -1.54 0.98 0.00 0.00 173.24 170.87 2o61 n SER 1130N 13.02 0.88 -4.49 7.02 3.41 -1.26 -5.09 113.62 127.11 2o61 n SER 1130Ca 0.22 -2.90 -0.42 0.00 -0.26 0.00 0.00 58.87 55.51 2o61 n SER 1130Cb 0.52 -0.63 -0.09 0.00 -0.26 0.00 0.00 64.21 63.74 2o61 n SER 1130CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2o61 n ASP 1131N 0.96 1.31 -3.15 4.04 10.43 -1.26 -4.94 116.55 123.94 2o61 n ASP 1131Ca 0.23 0.02 0.06 0.00 2.57 0.00 0.00 54.79 57.67 2o61 n ASP 1131Cb 0.55 -1.20 -0.01 0.00 1.84 0.00 0.00 41.12 42.30 2o61 n ASP 1131CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 2o61 s SER 1132N 9.63 -0.00 0.25 -2.24 0.01 -1.14 -5.08 113.70 115.13 2o61 s SER 1132Ca 1.18 0.00 -0.03 0.00 1.31 0.00 0.00 55.95 58.41 2o61 s SER 1132Cb -0.84 1.00 0.44 0.00 0.21 0.00 0.00 66.02 66.83 2o61 s SER 1132CO 0.42 -0.00 1.81 -0.07 0.41 0.00 0.00 173.24 175.81 2o61 h LEU 2009N 7.45 0.70 -1.32 2.44 3.38 -2.00 -3.41 115.31 122.55 2o61 h LEU 2009Ca -0.11 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2o61 h LEU 2009Cb 1.17 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 2o61 h LEU 2009CO -0.22 0.39 0.35 -0.65 0.09 0.00 0.00 178.44 178.40 2o61 h PRO 2010N 0.81 0.81 -0.73 1.13 0.11 -2.04 -1.90 132.00 130.20 2o61 h PRO 2010Ca 0.42 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.45 2o61 h PRO 2010Cb 0.42 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.32 2o61 h PRO 2010CO -0.26 0.58 0.40 2.35 -0.21 0.00 0.00 178.00 180.86 2o61 h TRP 2011N 0.83 1.00 -0.35 0.65 7.01 -2.04 -1.26 115.95 121.79 2o61 h TRP 2011Ca 0.22 -0.02 -0.09 0.00 2.11 0.00 0.00 58.89 61.10 2o61 h TRP 2011Cb -0.02 -0.32 -0.02 0.00 -2.10 0.00 0.00 29.16 26.71 2o61 h TRP 2011CO 0.00 0.70 -0.15 1.25 -2.79 0.00 0.00 178.44 177.46 2o61 h LEU 2012N 1.00 0.62 -0.77 0.65 6.46 -1.83 -0.80 115.31 120.65 2o61 h LEU 2012Ca 0.26 -0.19 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 2o61 h LEU 2012Cb 0.03 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 39.76 2o61 h LEU 2012CO -0.04 0.79 0.43 0.58 -0.62 0.00 0.00 178.44 179.59 2o61 h VAL 2013N 0.57 1.23 -0.48 1.05 2.07 -0.58 0.15 116.25 120.26 2o61 h VAL 2013Ca 0.10 -0.56 -0.11 0.00 0.82 0.00 0.00 66.70 66.95 2o61 h VAL 2013Cb 0.59 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2o61 h VAL 2013CO 0.04 0.25 -0.14 0.77 0.02 0.00 0.00 177.57 178.51 2o61 h SER 2014N 1.07 0.95 -0.34 0.57 4.64 -0.87 -3.00 113.55 116.58 2o61 h SER 2014Ca 0.27 -0.37 -0.03 0.00 -0.47 0.00 0.00 61.79 61.19 2o61 h SER 2014Cb 0.02 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.83 2o61 h SER 2014CO -0.05 1.10 0.12 1.56 -0.87 0.00 0.00 176.83 178.70 2o61 h GLN 2015N 0.79 0.59 -0.81 4.77 1.08 -0.28 -2.99 115.11 118.26 2o61 h GLN 2015Ca 0.12 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 2o61 h GLN 2015Cb 0.70 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 27.98 2o61 h GLN 2015CO 0.05 0.52 0.52 -0.07 -0.95 0.00 0.00 178.83 178.90 2o61 h LEU 2016N 0.58 0.95 -0.46 1.46 3.38 -0.58 0.56 115.31 121.20 2o61 h LEU 2016Ca 0.14 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 2o61 h LEU 2016Cb 0.18 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2o61 h LEU 2016CO -0.01 0.71 -0.15 0.44 0.09 0.00 0.00 178.44 179.52 2o61 h ASP 2017N 1.11 0.94 -0.44 -0.43 3.32 -1.59 -3.21 116.42 116.12 2o61 h ASP 2017Ca 0.30 -0.38 -0.07 0.00 0.02 0.00 0.00 57.03 56.90 2o61 h ASP 2017Cb -0.10 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.18 2o61 h ASP 2017CO -0.06 1.10 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.48 2o61 h LEU 2018N 0.77 0.77 0.24 1.55 3.38 -1.35 -3.46 115.31 117.21 2o61 h LEU 2018Ca 0.11 -0.32 -0.24 0.00 0.09 0.00 0.00 57.88 57.53 2o61 h LEU 2018Cb 0.71 -0.21 -0.15 0.00 0.09 0.00 0.00 40.66 41.11 2o61 h LEU 2018CO 0.05 0.90 -0.35 0.61 0.09 0.00 0.00 178.44 179.74 2o61 n GLY 2019N -0.35 -0.33 0.00 0.83 0.00 0.14 -4.82 105.19 100.66 2o61 n GLY 2019Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2o61 n GLY 2019CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2o61 n GLN 2020N -2.51 0.00 -1.19 1.61 -0.06 -1.26 -4.74 117.38 109.23 2o61 n GLN 2020Ca 0.05 0.60 -0.33 0.00 -2.00 0.00 0.00 57.00 55.32 2o61 n GLN 2020Cb 0.35 -1.23 0.12 0.00 -4.06 0.00 0.00 30.24 25.41 2o61 n GLN 2020CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2o61 s LEU 2021N -3.48 3.14 0.58 1.69 1.43 -1.26 -5.00 118.68 115.78 2o61 s LEU 2021Ca 0.00 2.24 -0.17 0.00 -1.03 0.00 0.00 54.13 55.17 2o61 s LEU 2021Cb 0.00 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.61 2o61 s LEU 2021CO 0.00 -2.49 1.09 -0.70 0.23 0.00 0.00 176.35 174.48 2o61 s GLU 2022N -4.25 3.24 0.00 1.70 2.56 -1.26 -3.79 118.70 116.90 2o61 s GLU 2022Ca 0.70 1.39 0.00 0.00 0.00 0.00 0.00 54.97 57.06 2o61 s GLU 2022Cb -0.26 -2.01 0.00 0.00 2.00 0.00 0.00 34.13 33.86 2o61 s GLU 2022CO 0.50 -0.90 0.00 0.41 -0.56 0.00 0.00 175.26 174.71 2o61 n GLY 2023N -0.44 2.51 3.74 -1.50 0.00 -1.26 -4.90 105.19 103.34 2o61 n GLY 2023Ca 0.10 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 2o61 n GLY 2023CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2o61 s VAL 2024N -1.39 4.04 -1.42 1.61 -7.23 -1.25 -4.15 120.40 110.60 2o61 s VAL 2024Ca 0.00 -1.49 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 2o61 s VAL 2024Cb 0.00 -3.13 0.00 0.00 0.56 0.00 0.00 36.38 33.81 2o61 s VAL 2024CO 0.00 -0.27 0.00 0.00 -0.31 0.00 0.00 175.10 174.52 2o61 n ALA 2025N -0.75 0.00 -2.44 1.32 0.00 -1.24 -4.93 120.51 112.47 2o61 n ALA 2025Ca -0.08 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.15 2o61 n ALA 2025Cb 0.57 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.91 2o61 n ALA 2025CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2o61 s TRP 2026N -3.76 1.81 0.00 0.00 0.52 -1.26 -3.50 118.94 112.76 2o61 s TRP 2026Ca 0.00 -0.48 0.00 0.00 0.02 0.00 0.00 56.10 55.64 2o61 s TRP 2026Cb 0.00 -0.89 0.00 0.00 -1.15 0.00 0.00 33.47 31.43 2o61 s TRP 2026CO 0.00 0.35 0.00 0.28 0.02 0.00 0.00 176.95 177.60 2o61 n VAL 2027N 0.15 0.00 -3.72 4.03 0.31 -1.23 -4.94 118.33 112.93 2o61 n VAL 2027Ca -0.12 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.83 2o61 n VAL 2027Cb 0.58 -0.19 -0.12 0.00 -0.91 0.00 0.00 33.84 33.20 2o61 n VAL 2027CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2o61 s ASN 2028N -1.45 5.40 -0.14 4.52 3.04 -1.15 -4.99 114.94 120.17 2o61 s ASN 2028Ca 0.00 -1.16 -0.05 0.00 0.04 0.00 0.00 52.86 51.69 2o61 s ASN 2028Cb 0.00 -1.90 -0.14 0.00 -1.54 0.00 0.00 41.25 37.67 2o61 s ASN 2028CO 0.00 -0.36 3.22 2.29 -3.04 0.00 0.00 177.10 179.21 2o61 n LYS 2029N 4.84 2.04 0.00 0.43 0.00 -1.26 -3.04 118.16 121.17 2o61 n LYS 2029Ca -0.12 -1.35 0.00 0.00 -0.00 0.00 0.00 58.31 56.84 2o61 n LYS 2029Cb 0.45 -1.96 0.00 0.00 -0.00 0.00 0.00 35.03 33.51 2o61 n LYS 2029CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2o61 n SER 2030N 1.88 0.00 -2.64 -5.58 3.41 -1.26 -5.11 113.62 104.32 2o61 n SER 2030Ca 0.41 -1.00 -0.05 0.00 -0.26 0.00 0.00 58.87 57.97 2o61 n SER 2030Cb 0.77 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.68 2o61 n SER 2030CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2o61 n ARG 2031N 0.00 -4.37 0.00 4.33 3.00 -1.17 -4.95 116.66 113.50 2o61 n ARG 2031Ca 0.00 3.32 0.00 0.00 -0.01 0.00 0.00 57.85 61.16 2o61 n ARG 2031Cb 0.41 -4.93 0.00 0.00 0.00 0.00 0.00 32.46 27.94 2o61 n ARG 2031CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 2o61 n THR 2032N 1.65 0.00 -3.45 0.55 5.66 -1.26 -4.99 114.28 112.44 2o61 n THR 2032Ca -0.37 0.00 -0.44 0.00 -3.05 0.00 0.00 64.05 60.20 2o61 n THR 2032Cb 0.57 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.30 2o61 n THR 2032CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 2o61 s ARG 2033N 0.00 3.13 0.14 1.09 3.52 -1.26 -3.39 118.95 122.18 2o61 s ARG 2033Ca 0.00 -2.29 0.08 0.00 -0.13 0.00 0.00 55.73 53.39 2o61 s ARG 2033Cb 0.00 -4.18 -0.04 0.00 -1.56 0.00 0.00 34.95 29.17 2o61 s ARG 2033CO 0.00 -1.26 -0.10 -0.59 -0.81 0.00 0.00 175.30 172.54 2o61 s PHE 2034N 0.45 2.67 -0.23 5.12 -0.12 -1.18 -2.91 117.98 121.77 2o61 s PHE 2034Ca 0.14 -0.20 -0.06 0.00 -0.05 0.00 0.00 56.93 56.77 2o61 s PHE 2034Cb -0.17 -1.35 -0.02 0.00 -0.63 0.00 0.00 43.02 40.85 2o61 s PHE 2034CO -0.05 0.46 0.02 0.50 -0.05 0.00 0.00 175.22 176.10 2o61 s ARG 2035N -2.52 3.55 -0.10 1.99 3.00 -1.23 -2.68 118.95 120.96 2o61 s ARG 2035Ca 0.23 -0.54 -0.00 0.00 -1.00 0.00 0.00 55.73 54.42 2o61 s ARG 2035Cb -0.10 -3.17 -0.03 0.00 0.00 0.00 0.00 34.95 31.66 2o61 s ARG 2035CO 0.14 -0.16 -0.08 0.42 0.00 0.00 0.00 175.30 175.63 2o61 s ILE 2036N 1.46 3.59 1.32 4.11 1.01 -1.15 -3.61 121.20 127.92 2o61 s ILE 2036Ca 0.05 -0.50 -0.18 0.00 0.00 0.00 0.00 60.65 60.03 2o61 s ILE 2036Cb -0.15 -2.49 0.34 0.00 0.01 0.00 0.00 42.46 40.17 2o61 s ILE 2036CO 0.01 0.56 0.96 -2.84 0.00 0.00 0.00 174.94 173.63 2o61 s PRO 2037N -0.35 -2.10 -0.26 2.79 0.02 -1.26 -0.68 135.00 133.16 2o61 s PRO 2037Ca 0.05 0.52 0.01 0.00 0.02 0.00 0.00 61.00 61.59 2o61 s PRO 2037Cb -0.12 -1.44 0.03 0.00 0.02 0.00 0.00 34.50 32.98 2o61 s PRO 2037CO 0.02 -4.43 0.95 1.87 -0.33 0.00 0.00 177.00 175.08 2o61 n TRP 2038N -5.37 -0.18 -2.46 6.54 -0.00 -1.20 -4.38 117.44 110.38 2o61 n TRP 2038Ca 0.07 -0.52 -0.39 0.00 -0.00 0.00 0.00 57.50 56.66 2o61 n TRP 2038Cb 0.57 1.05 -0.04 0.00 -0.00 0.00 0.00 31.31 32.89 2o61 n TRP 2038CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 177.69 176.10 2o61 s LYS 2039N 0.01 4.40 -0.19 5.87 0.00 -1.26 -4.45 119.74 124.13 2o61 s LYS 2039Ca 0.01 1.73 -0.29 0.00 0.00 0.00 0.00 55.97 57.42 2o61 s LYS 2039Cb 0.03 -2.91 -0.02 0.00 0.00 0.00 0.00 37.83 34.93 2o61 s LYS 2039CO -0.01 0.02 1.38 -1.58 0.00 0.00 0.00 175.35 175.16 2o61 s HIS 2040N -1.35 2.58 0.54 1.78 2.46 -1.26 -4.90 115.29 115.14 2o61 s HIS 2040Ca 0.50 0.80 0.07 0.00 0.47 0.00 0.00 55.06 56.91 2o61 s HIS 2040Cb -0.29 -3.72 0.41 0.00 -0.13 0.00 0.00 32.58 28.84 2o61 s HIS 2040CO 0.37 -2.18 1.17 0.78 -2.47 0.00 0.00 174.74 172.41 2o61 h GLY 2041N 10.34 0.00 -2.00 1.59 0.00 -2.01 -1.66 103.07 109.34 2o61 h GLY 2041Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2o61 h GLY 2041CO 0.99 0.00 0.00 1.04 0.00 0.00 0.00 176.54 178.57 2o61 n LEU 2042N -2.39 2.88 -4.77 3.11 4.77 -1.26 -4.86 117.00 114.48 2o61 n LEU 2042Ca -0.00 -1.46 -0.38 0.00 -0.03 0.00 0.00 56.01 54.14 2o61 n LEU 2042Cb 0.76 -0.55 -0.06 0.00 -2.33 0.00 0.00 43.42 41.24 2o61 n LEU 2042CO 0.03 0.41 0.14 -0.13 -1.33 0.00 0.00 177.39 176.51 2o61 s ARG 2043N -1.72 4.17 0.47 3.23 0.52 -0.63 -4.96 118.95 120.04 2o61 s ARG 2043Ca 0.23 0.42 0.18 0.00 -0.52 0.00 0.00 55.73 56.04 2o61 s ARG 2043Cb 0.17 -3.34 1.18 0.00 0.52 0.00 0.00 34.95 33.47 2o61 s ARG 2043CO 0.07 0.39 1.99 1.96 0.02 0.00 0.00 175.30 179.74 2o61 h GLN 2044N 5.83 0.23 -0.20 3.54 1.08 -1.91 0.33 115.11 124.01 2o61 h GLN 2044Ca -0.45 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.73 2o61 h GLN 2044Cb 1.19 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.57 2o61 h GLN 2044CO 0.70 0.15 0.00 -0.40 -0.95 0.00 0.00 178.83 178.33 2o61 n ASP 2045N -4.45 1.11 -4.64 1.46 5.75 -1.26 -4.90 116.55 109.63 2o61 n ASP 2045Ca 0.09 -1.97 -0.42 0.00 -0.01 0.00 0.00 54.79 52.48 2o61 n ASP 2045Cb 0.45 -0.13 -0.03 0.00 -1.03 0.00 0.00 41.12 40.37 2o61 n ASP 2045CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2o61 s ALA 2046N -1.73 3.32 0.30 2.12 0.00 0.12 -4.98 121.76 120.90 2o61 s ALA 2046Ca 0.15 1.02 0.02 0.00 0.00 0.00 0.00 51.96 53.15 2o61 s ALA 2046Cb 0.08 -3.90 -0.03 0.00 0.00 0.00 0.00 23.12 19.27 2o61 s ALA 2046CO 0.11 -1.93 0.47 -1.14 0.00 0.00 0.00 175.76 173.27 2o61 s GLN 2047N 4.94 3.48 -0.06 0.00 0.74 -1.26 -5.03 119.66 122.47 2o61 s GLN 2047Ca 0.87 -0.47 -0.26 0.00 0.05 0.00 0.00 55.36 55.55 2o61 s GLN 2047Cb -0.37 -2.76 -0.22 0.00 1.10 0.00 0.00 33.01 30.77 2o61 s GLN 2047CO 0.37 0.27 1.11 -0.56 -0.55 0.00 0.00 175.29 175.92 2o61 h GLN 2048N 1.04 0.03 0.00 1.67 3.07 -2.00 -2.98 115.11 115.95 2o61 h GLN 2048Ca -0.50 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.21 2o61 h GLN 2048Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.78 2o61 h GLN 2048CO 0.62 0.68 0.00 0.39 0.09 0.00 0.00 178.83 180.61 2o61 n GLU 2049N -4.74 0.93 -0.12 0.06 1.02 -1.26 -3.00 120.64 113.53 2o61 n GLU 2049Ca -0.09 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.92 2o61 n GLU 2049Cb 0.34 -1.30 -0.02 0.00 -0.02 0.00 0.00 31.44 30.44 2o61 n GLU 2049CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2o61 h ASP 2050N 0.00 1.01 -0.80 1.62 5.19 -1.92 -2.57 116.42 118.94 2o61 h ASP 2050Ca 0.00 -0.46 -0.52 0.00 -0.62 0.00 0.00 57.03 55.43 2o61 h ASP 2050Cb 0.00 -0.28 -0.23 0.00 0.18 0.00 0.00 39.33 38.99 2o61 h ASP 2050CO 0.00 1.26 0.67 0.49 -3.12 0.00 0.00 179.24 178.54 2o61 n PHE 2051N -4.07 2.56 -0.23 4.55 3.72 -1.16 -4.58 117.46 118.25 2o61 n PHE 2051Ca -0.02 -2.41 -0.07 0.00 -0.05 0.00 0.00 57.45 54.89 2o61 n PHE 2051Cb 0.54 -1.17 0.04 0.00 -0.94 0.00 0.00 39.48 37.95 2o61 n PHE 2051CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2o61 h GLY 2052N 2.08 1.04 1.43 1.37 0.00 -1.62 0.28 103.07 107.65 2o61 h GLY 2052Ca 0.49 -0.59 -0.07 0.00 0.00 0.00 0.00 47.33 47.17 2o61 h GLY 2052CO 1.20 0.55 -0.01 1.19 0.00 0.00 0.00 176.54 179.47 2o61 h ILE 2053N 0.91 1.23 -0.49 2.60 -0.00 -1.85 -1.49 117.51 118.42 2o61 h ILE 2053Ca 0.21 -0.95 -0.09 0.00 -0.00 0.00 0.00 64.86 64.03 2o61 h ILE 2053Cb 0.24 0.91 -0.02 0.00 -0.00 0.00 0.00 36.82 37.95 2o61 h ILE 2053CO -0.01 0.33 -0.03 -0.26 -0.00 0.00 0.00 178.15 178.17 2o61 h PHE 2054N 0.66 0.98 -0.35 2.19 0.04 -1.73 -2.92 116.94 115.80 2o61 h PHE 2054Ca 0.13 -0.18 -0.04 0.00 2.80 0.00 0.00 57.97 60.68 2o61 h PHE 2054Cb 0.42 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 2o61 h PHE 2054CO 0.02 0.93 0.03 0.37 -0.60 0.00 0.00 178.31 179.06 2o61 h GLN 2055N 0.74 0.54 -0.78 1.51 4.15 -0.04 -2.75 115.11 118.49 2o61 h GLN 2055Ca 0.13 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 2o61 h GLN 2055Cb 0.56 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.13 2o61 h GLN 2055CO 0.03 0.54 0.45 0.00 -1.93 0.00 0.00 178.83 177.92 2o61 h ALA 2056N 1.52 0.99 -0.55 3.38 0.00 -1.09 -1.95 119.26 121.57 2o61 h ALA 2056Ca 0.12 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2o61 h ALA 2056Cb 0.29 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2o61 h ALA 2056CO 0.01 0.48 0.03 2.35 0.00 0.00 0.00 179.25 182.11 2o61 h TRP 2057N 1.07 1.03 -0.56 0.00 2.91 -1.48 0.26 115.95 119.18 2o61 h TRP 2057Ca 0.28 -0.17 -0.05 0.00 1.13 0.00 0.00 58.89 60.08 2o61 h TRP 2057Cb -0.01 -0.27 -0.02 0.00 -0.51 0.00 0.00 29.16 28.34 2o61 h TRP 2057CO -0.00 0.93 0.17 0.00 -1.03 0.00 0.00 178.44 178.51 2o61 h ALA 2058N 0.97 0.73 -0.32 2.65 0.00 -1.42 -2.87 119.26 119.00 2o61 h ALA 2058Ca 0.16 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 2o61 h ALA 2058Cb 0.50 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2o61 h ALA 2058CO 0.02 0.40 -0.15 0.93 0.00 0.00 0.00 179.25 180.45 2o61 h GLU 2059N 0.78 0.67 -0.62 0.00 5.08 -1.25 0.34 114.58 119.58 2o61 h GLU 2059Ca 0.18 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2o61 h GLU 2059Cb 0.29 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2o61 h GLU 2059CO -0.00 0.88 0.00 0.00 -1.00 0.00 0.00 179.01 178.89 2o61 n ALA 2060N -2.45 1.99 -1.13 3.43 0.00 0.07 -1.68 120.51 120.74 2o61 n ALA 2060Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2o61 n ALA 2060Cb 0.38 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.83 2o61 n ALA 2060CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2o61 n THR 2061N 0.14 0.00 -0.67 0.00 -2.24 -1.15 -4.96 114.28 105.40 2o61 n THR 2061Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2o61 n THR 2061Cb 0.16 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 2o61 n THR 2061CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2o61 n GLY 2062N 0.00 0.74 0.32 3.38 0.00 -0.67 -4.81 105.19 104.14 2o61 n GLY 2062Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2o61 n GLY 2062CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2o61 h ALA 2063N 0.00 1.10 -4.10 4.61 0.00 -1.21 -3.43 119.26 116.24 2o61 h ALA 2063Ca 0.00 -0.22 -0.52 0.00 0.00 0.00 0.00 54.91 54.17 2o61 h ALA 2063Cb 0.00 -0.25 -0.30 0.00 0.00 0.00 0.00 17.79 17.24 2o61 h ALA 2063CO 0.00 0.61 -0.82 -0.47 0.00 0.00 0.00 179.25 178.56 2o61 s TYR 2064N -5.28 1.44 -0.15 0.00 5.04 0.10 -4.93 117.35 113.58 2o61 s TYR 2064Ca -0.11 -0.33 -0.01 0.00 -2.44 0.00 0.00 57.07 54.19 2o61 s TYR 2064Cb 0.15 -0.95 0.04 0.00 0.35 0.00 0.00 41.96 41.54 2o61 s TYR 2064CO 0.82 -0.08 -0.06 0.08 -1.34 0.00 0.00 175.55 174.98 2o61 s VAL 2065N -0.17 1.06 0.63 3.14 1.01 -1.26 -3.93 120.40 120.87 2o61 s VAL 2065Ca 0.02 -0.50 0.22 0.00 0.00 0.00 0.00 61.98 61.72 2o61 s VAL 2065Cb -0.08 -1.18 0.27 0.00 0.00 0.00 0.00 36.38 35.39 2o61 s VAL 2065CO 0.00 0.20 1.55 1.55 0.00 0.00 0.00 175.10 178.41 2o61 h PRO 2066N 8.14 0.00 0.00 2.72 0.13 -2.00 -2.98 132.00 138.02 2o61 h PRO 2066Ca -0.26 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.43 2o61 h PRO 2066Cb 1.12 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.18 2o61 h PRO 2066CO 0.40 0.00 -2.44 0.41 -0.23 0.00 0.00 178.00 176.14 2o61 n GLY 2067N -1.48 -0.47 2.76 1.56 0.00 -1.26 -4.76 105.19 101.54 2o61 n GLY 2067Ca 0.07 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 2o61 n GLY 2067CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2o61 n ARG 2068N -4.27 4.09 -3.19 1.61 0.63 -1.13 -4.93 116.66 109.48 2o61 n ARG 2068Ca -0.52 -4.68 0.04 0.00 -0.92 0.00 0.00 57.85 51.76 2o61 n ARG 2068Cb 0.87 -2.39 -0.04 0.00 0.45 0.00 0.00 32.46 31.35 2o61 n ARG 2068CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2o61 s ASP 2069N -2.17 -0.10 0.46 6.15 1.01 -1.21 -4.72 116.67 116.10 2o61 s ASP 2069Ca 0.39 0.13 -0.24 0.00 0.71 0.00 0.00 52.55 53.53 2o61 s ASP 2069Cb 0.16 1.11 -0.07 0.00 1.01 0.00 0.00 42.92 45.12 2o61 s ASP 2069CO -0.03 -0.02 1.33 -0.54 0.21 0.00 0.00 175.17 176.12 2o61 s LYS 2070N 2.20 3.63 0.15 8.23 -0.14 -1.26 -4.83 119.74 127.71 2o61 s LYS 2070Ca -0.01 2.20 -0.30 0.00 -1.36 0.00 0.00 55.97 56.50 2o61 s LYS 2070Cb -0.02 -2.54 -0.07 0.00 -1.68 0.00 0.00 37.83 33.52 2o61 s LYS 2070CO -0.15 -0.79 1.02 -1.25 -0.76 0.00 0.00 175.35 173.43 2o61 s PRO 2071N -2.55 4.66 -0.43 -1.68 0.04 -1.26 -5.02 135.00 128.77 2o61 s PRO 2071Ca 0.63 1.57 0.03 0.00 0.04 0.00 0.00 61.00 63.27 2o61 s PRO 2071Cb -0.39 -3.33 0.12 0.00 0.04 0.00 0.00 34.50 30.95 2o61 s PRO 2071CO 0.49 0.17 0.18 0.34 0.04 0.00 0.00 177.00 178.22 2o61 s ASP 2072N -0.13 4.16 0.10 6.66 -1.08 -1.26 -5.01 116.67 120.12 2o61 s ASP 2072Ca 0.48 -2.51 -0.16 0.00 -0.52 0.00 0.00 52.55 49.83 2o61 s ASP 2072Cb -0.26 -1.33 -0.06 0.00 -1.46 0.00 0.00 42.92 39.81 2o61 s ASP 2072CO 0.32 -0.30 1.52 -0.07 0.52 0.00 0.00 175.17 177.16 2o61 h LEU 2073N 7.04 0.60 -1.01 -1.34 -0.00 -2.00 -2.43 115.31 116.17 2o61 h LEU 2073Ca -0.06 -0.34 -0.06 0.00 -0.00 0.00 0.00 57.88 57.42 2o61 h LEU 2073Cb 0.95 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 41.42 2o61 h LEU 2073CO 0.56 0.80 0.01 1.55 -0.00 0.00 0.00 178.44 181.36 2o61 h PRO 2074N 0.39 0.72 -0.47 1.13 0.13 -1.99 -1.88 132.00 130.03 2o61 h PRO 2074Ca 0.09 -0.18 -0.10 0.00 -0.87 0.00 0.00 66.00 64.94 2o61 h PRO 2074Cb 0.52 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.54 2o61 h PRO 2074CO 0.03 0.73 -0.08 1.15 -0.23 0.00 0.00 178.00 179.60 2o61 h THR 2075N 0.68 1.27 -0.67 1.56 2.02 -1.98 0.31 112.91 116.11 2o61 h THR 2075Ca 0.14 -1.19 -0.03 0.00 0.77 0.00 0.00 66.41 66.10 2o61 h THR 2075Cb 0.40 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 2o61 h THR 2075CO 0.01 0.41 0.29 -0.50 0.37 0.00 0.00 175.52 176.11 2o61 h TRP 2076N 0.73 0.99 -0.38 3.16 6.55 -1.19 0.28 115.95 126.09 2o61 h TRP 2076Ca 0.12 -0.06 -0.09 0.00 0.95 0.00 0.00 58.89 59.81 2o61 h TRP 2076Cb 0.61 -0.30 -0.01 0.00 -0.86 0.00 0.00 29.16 28.60 2o61 h TRP 2076CO 0.05 0.76 -0.11 -0.22 -1.05 0.00 0.00 178.44 177.86 2o61 h LYS 2077N 0.93 0.76 -0.32 0.49 3.64 -1.14 -1.54 116.57 119.39 2o61 h LYS 2077Ca 0.23 -0.30 -0.06 0.00 -1.27 0.00 0.00 60.65 59.24 2o61 h LYS 2077Cb 0.17 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 2o61 h LYS 2077CO -0.02 0.91 -0.04 -0.09 -2.27 0.00 0.00 179.45 177.93 2o61 h ARG 2078N 0.56 0.60 -0.36 1.90 2.43 0.01 -1.55 114.38 117.96 2o61 h ARG 2078Ca 0.09 -0.21 -0.12 0.00 -0.81 0.00 0.00 59.98 58.93 2o61 h ARG 2078Cb 0.64 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 2o61 h ARG 2078CO 0.04 0.76 -0.27 -0.91 -1.51 0.00 0.00 179.97 178.09 2o61 h ASN 2079N 0.39 0.77 -0.62 -3.80 2.35 -0.45 0.51 115.58 114.72 2o61 h ASN 2079Ca 0.09 -0.30 -0.04 0.00 -0.55 0.00 0.00 56.30 55.50 2o61 h ASN 2079Cb 0.52 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.65 2o61 h ASN 2079CO 0.03 1.00 0.24 0.15 -1.65 0.00 0.00 177.43 177.19 2o61 h PHE 2080N 0.65 0.96 -0.27 1.19 3.57 -1.22 -1.97 116.94 119.85 2o61 h PHE 2080Ca 0.08 -0.08 -0.10 0.00 3.53 0.00 0.00 57.97 61.41 2o61 h PHE 2080Cb 0.78 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 2o61 h PHE 2080CO 0.04 0.76 -0.20 -0.09 -2.23 0.00 0.00 178.31 176.59 2o61 h ARG 2081N 0.87 0.62 -0.44 1.11 2.43 -0.89 -3.22 114.38 114.86 2o61 h ARG 2081Ca 0.21 -0.30 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 2o61 h ARG 2081Cb 0.22 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 2o61 h ARG 2081CO -0.01 0.89 0.19 0.77 -1.51 0.00 0.00 179.97 180.29 2o61 h SER 2082N 0.35 0.56 -0.52 -3.80 0.02 0.20 -1.94 113.55 108.41 2o61 h SER 2082Ca 0.05 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2o61 h SER 2082Cb 0.75 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 2o61 h SER 2082CO 0.05 0.50 0.22 0.00 -1.14 0.00 0.00 176.83 176.46 2o61 h ALA 2083N 1.59 0.68 -0.34 3.77 0.00 -1.39 -3.08 119.26 120.49 2o61 h ALA 2083Ca 0.15 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 2o61 h ALA 2083Cb 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2o61 h ALA 2083CO -0.02 0.28 -0.38 -0.07 0.00 0.00 0.00 179.25 179.06 2o61 h LEU 2084N 0.70 0.86 0.00 0.00 3.38 -1.39 -3.43 115.31 115.43 2o61 h LEU 2084Ca 0.17 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2o61 h LEU 2084Cb 0.18 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2o61 h LEU 2084CO -0.02 1.14 0.00 -3.20 0.09 0.00 0.00 178.44 176.45 2o61 n ASN 2085N -4.05 0.00 -3.71 -0.43 4.05 -0.83 -3.26 115.26 107.04 2o61 n ASN 2085Ca -0.02 0.24 -0.42 0.00 0.45 0.00 0.00 54.58 54.84 2o61 n ASN 2085Cb 0.53 0.00 -0.00 0.00 1.23 0.00 0.00 39.78 41.54 2o61 n ASN 2085CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 177.26 172.10 2o61 n ARG 2086N -0.35 3.77 -0.24 1.20 1.85 -1.26 -4.60 116.66 117.03 2o61 n ARG 2086Ca 0.00 -3.29 0.08 0.00 -1.00 0.00 0.00 57.85 53.64 2o61 n ARG 2086Cb 0.00 -2.89 0.12 0.00 -1.05 0.00 0.00 32.46 28.64 2o61 n ARG 2086CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2o61 n LYS 2087N 3.58 1.06 -0.10 2.89 4.81 -1.20 -5.07 118.16 124.13 2o61 n LYS 2087Ca 0.50 -2.37 0.00 0.00 -0.87 0.00 0.00 58.31 55.57 2o61 n LYS 2087Cb 0.33 -1.30 0.00 0.00 0.02 0.00 0.00 35.03 34.08 2o61 n LYS 2087CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2o61 n GLU 2088N -1.11 0.00 0.00 1.64 -0.58 -1.26 -4.36 120.64 114.97 2o61 n GLU 2088Ca 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 2o61 n GLU 2088Cb 0.67 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.54 2o61 n GLU 2088CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2o61 n GLY 2089N 0.60 0.78 0.00 0.62 0.00 -1.26 -4.99 105.19 100.94 2o61 n GLY 2089Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2o61 n GLY 2089CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2o61 n LEU 2090N 0.00 0.00 0.00 0.99 7.94 -1.26 -3.40 117.00 121.27 2o61 n LEU 2090Ca 0.00 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.84 2o61 n LEU 2090Cb 0.00 0.00 0.02 0.00 0.53 0.00 0.00 43.42 43.97 2o61 n LEU 2090CO 0.00 0.00 0.46 -2.11 -1.11 0.00 0.00 177.39 174.63 2o61 n ARG 2091N -0.05 0.76 -1.67 1.96 1.85 -0.53 -4.70 116.66 114.28 2o61 n ARG 2091Ca 0.00 -1.53 -0.29 0.00 -1.00 0.00 0.00 57.85 55.03 2o61 n ARG 2091Cb 0.00 1.94 0.11 0.00 -1.05 0.00 0.00 32.46 33.46 2o61 n ARG 2091CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2o61 s LEU 2092N 0.00 2.24 0.00 2.89 1.43 -1.26 -1.23 118.68 122.75 2o61 s LEU 2092Ca 0.13 0.93 0.00 0.00 -1.03 0.00 0.00 54.13 54.16 2o61 s LEU 2092Cb -0.03 -3.34 0.00 0.00 0.03 0.00 0.00 46.19 42.84 2o61 s LEU 2092CO 0.08 -2.26 0.00 0.00 0.23 0.00 0.00 176.35 174.40 2o61 n ALA 2093N -3.57 0.76 -2.24 4.21 0.00 0.41 -4.67 120.51 115.42 2o61 n ALA 2093Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2o61 n ALA 2093Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 2o61 n ALA 2093CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2o61 n GLU 2094N 0.00 2.23 -2.70 0.00 4.07 -1.22 -4.96 120.64 118.06 2o61 n GLU 2094Ca 0.00 0.00 -0.06 0.00 -0.06 0.00 0.00 57.16 57.04 2o61 n GLU 2094Cb 0.00 0.00 0.08 0.00 -0.06 0.00 0.00 31.44 31.46 2o61 n GLU 2094CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2o61 n ASP 2095N -0.99 -1.91 -1.02 4.31 4.64 -1.26 -3.90 116.55 116.42 2o61 n ASP 2095Ca 0.00 -2.64 0.00 0.00 -1.38 0.00 0.00 54.79 50.77 2o61 n ASP 2095Cb 0.00 1.40 0.00 0.00 -1.04 0.00 0.00 41.12 41.48 2o61 n ASP 2095CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 2o61 n ARG 2096N 0.98 0.89 -0.20 -0.67 5.12 0.20 -3.98 116.66 118.99 2o61 n ARG 2096Ca 0.02 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.86 2o61 n ARG 2096Cb 0.70 -1.06 0.02 0.00 -1.16 0.00 0.00 32.46 30.97 2o61 n ARG 2096CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2o61 h SER 2097N 0.26 0.89 0.69 0.55 0.87 -1.82 -2.21 113.55 112.79 2o61 h SER 2097Ca 0.00 -0.25 -0.09 0.00 -1.23 0.00 0.00 61.79 60.22 2o61 h SER 2097Cb 0.89 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.60 2o61 h SER 2097CO 0.00 0.91 -0.43 0.11 -0.53 0.00 0.00 176.83 176.90 2o61 h LYS 2098N 0.83 0.00 -5.86 2.24 1.79 -1.89 -3.42 116.57 110.26 2o61 h LYS 2098Ca 0.18 0.00 -0.69 0.00 -2.18 0.00 0.00 60.65 57.96 2o61 h LYS 2098Cb 0.39 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.01 2o61 h LYS 2098CO 0.01 0.43 1.42 -3.47 -1.08 0.00 0.00 179.45 176.75 2o61 n ASP 2099N -3.69 1.26 -0.01 0.86 -0.08 -0.96 -4.82 116.55 109.11 2o61 n ASP 2099Ca -0.01 0.48 0.18 0.00 -1.51 0.00 0.00 54.79 53.93 2o61 n ASP 2099Cb 0.51 -1.06 0.65 0.00 2.34 0.00 0.00 41.12 43.56 2o61 n ASP 2099CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2o61 h PRO 2100N 11.00 0.08 0.00 -0.67 0.11 -1.88 -3.21 132.00 137.43 2o61 h PRO 2100Ca -0.16 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 2o61 h PRO 2100Cb 1.37 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.46 2o61 h PRO 2100CO 1.10 0.05 -0.29 0.45 -0.21 0.00 0.00 178.00 179.11 2o61 h HIS 2101N 0.08 0.00 -3.09 0.65 3.86 -1.95 -3.44 115.15 111.26 2o61 h HIS 2101Ca 0.25 0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.84 2o61 h HIS 2101Cb 0.88 0.00 -0.41 0.00 1.06 0.00 0.00 27.41 28.94 2o61 h HIS 2101CO -0.00 0.00 -0.62 0.34 0.86 0.00 0.00 177.93 178.51 2o61 s ASP 2102N -5.35 4.46 0.23 2.45 2.15 -1.24 -5.09 116.67 114.28 2o61 s ASP 2102Ca -0.08 -3.59 -0.31 0.00 0.43 0.00 0.00 52.55 49.00 2o61 s ASP 2102Cb 0.01 -1.53 -0.11 0.00 -0.30 0.00 0.00 42.92 40.99 2o61 s ASP 2102CO 0.12 -0.13 1.56 -2.84 -0.17 0.00 0.00 175.17 173.72 2o61 s PRO 2103N -1.06 4.19 0.00 4.34 0.02 -1.21 -4.83 135.00 136.45 2o61 s PRO 2103Ca 0.24 2.44 0.00 0.00 0.02 0.00 0.00 61.00 63.70 2o61 s PRO 2103Cb -0.09 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.34 2o61 s PRO 2103CO -0.13 -0.58 0.00 -2.39 -0.33 0.00 0.00 177.00 173.57 2o61 n HIS 2104N 2.97 0.00 -3.52 6.54 1.44 -0.87 -3.26 115.22 118.52 2o61 n HIS 2104Ca 0.10 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.81 2o61 n HIS 2104Cb 0.38 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.49 2o61 n HIS 2104CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2o61 n LYS 2105N -0.39 1.77 -3.66 -1.40 5.02 0.15 -0.63 118.16 119.02 2o61 n LYS 2105Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.22 2o61 n LYS 2105Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 34.93 2o61 n LYS 2105CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2o61 s ILE 2106N -0.07 -0.37 0.49 -0.18 1.01 -1.25 -2.92 121.20 117.92 2o61 s ILE 2106Ca 0.00 0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.74 2o61 s ILE 2106Cb 0.00 -0.84 -0.01 0.00 0.01 0.00 0.00 42.46 41.62 2o61 s ILE 2106CO 0.00 0.02 0.10 -0.31 0.00 0.00 0.00 174.94 174.76 2o61 s TYR 2107N 2.07 1.98 0.08 3.97 1.51 -1.09 0.16 117.35 126.03 2o61 s TYR 2107Ca -0.07 -0.86 -0.26 0.00 -1.01 0.00 0.00 57.07 54.87 2o61 s TYR 2107Cb -0.09 -1.73 0.08 0.00 -0.11 0.00 0.00 41.96 40.11 2o61 s TYR 2107CO -0.17 0.11 0.77 -1.21 -1.11 0.00 0.00 175.55 173.94 2o61 s GLU 2108N -3.94 1.07 0.56 -0.62 2.02 -0.36 -3.09 118.70 114.32 2o61 s GLU 2108Ca 0.19 -0.42 0.08 0.00 0.02 0.00 0.00 54.97 54.84 2o61 s GLU 2108Cb 0.02 0.47 0.07 0.00 0.10 0.00 0.00 34.13 34.79 2o61 s GLU 2108CO 0.11 -0.47 0.67 -0.59 0.02 0.00 0.00 175.26 174.99 2o61 s PHE 2109N -3.41 1.55 0.00 1.61 -0.71 -1.25 -1.45 117.98 114.32 2o61 s PHE 2109Ca 0.04 -0.74 0.00 0.00 -1.04 0.00 0.00 56.93 55.19 2o61 s PHE 2109Cb -0.01 -2.13 0.00 0.00 -1.21 0.00 0.00 43.02 39.66 2o61 s PHE 2109CO -0.09 -0.91 0.00 1.33 -1.34 0.00 0.00 175.22 174.20 2o61 n VAL 2110N -2.08 0.00 0.00 -2.49 0.24 -1.22 -4.86 118.33 107.92 2o61 n VAL 2110Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 2o61 n VAL 2110Cb 0.62 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.99 2o61 n VAL 2110CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28