#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k50 s LYS 2 N 0.00 4.64 -0.06 2.12 1.02 -1.26 -5.00 119.74 121.20 2k50 s LYS 2 Ca 0.00 1.29 -0.36 0.00 0.02 0.00 0.00 55.97 56.92 2k50 s LYS 2 Cb 0.00 -3.10 -0.14 0.00 -0.52 0.00 0.00 37.83 34.07 2k50 s LYS 2 CO 0.00 0.46 1.72 -2.30 -0.92 0.00 0.00 175.35 174.31 2k50 n PRO 3 N 1.19 1.81 -1.92 -1.68 -0.02 -1.26 -4.91 135.00 128.21 2k50 n PRO 3 Ca -0.02 0.66 -0.41 0.00 -2.02 0.00 0.00 63.50 61.71 2k50 n PRO 3 Cb 0.49 -2.43 -0.01 0.00 -0.02 0.00 0.00 33.50 31.53 2k50 n PRO 3 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2k50 s GLU 4 N 2.85 4.20 -0.13 -0.52 2.02 -1.26 -5.03 118.70 120.84 2k50 s GLU 4 Ca 0.90 2.43 0.01 0.00 0.02 0.00 0.00 54.97 58.33 2k50 s GLU 4 Cb -0.81 -3.03 -0.01 0.00 0.10 0.00 0.00 34.13 30.38 2k50 s GLU 4 CO 0.51 -0.44 -0.17 -1.01 0.02 0.00 0.00 175.26 174.18 2k50 s HIS 5 N -0.70 2.74 -0.30 1.61 3.76 -1.26 -5.09 115.29 116.05 2k50 s HIS 5 Ca 0.55 -0.87 -0.14 0.00 -0.15 0.00 0.00 55.06 54.44 2k50 s HIS 5 Cb -0.44 -1.82 0.17 0.00 1.11 0.00 0.00 32.58 31.59 2k50 s HIS 5 CO 0.54 -0.35 0.97 0.50 -0.85 0.00 0.00 174.74 175.55 2k50 s ARG 6 N 0.50 0.30 -1.63 1.40 3.52 -1.26 -4.93 118.95 116.84 2k50 s ARG 6 Ca -0.11 0.73 0.00 0.00 -0.13 0.00 0.00 55.73 56.22 2k50 s ARG 6 Cb -0.16 0.44 0.00 0.00 -1.56 0.00 0.00 34.95 33.66 2k50 s ARG 6 CO 0.05 -0.13 0.00 -0.12 -0.81 0.00 0.00 175.30 174.29 2k50 n MET 7 N 5.05 -1.09 -3.04 5.12 0.00 -1.26 -4.99 117.12 116.91 2k50 n MET 7 Ca -0.09 1.03 -0.40 0.00 0.00 0.00 0.00 57.70 58.25 2k50 n MET 7 Cb 0.52 -5.20 -0.05 0.00 0.00 0.00 0.00 33.22 28.50 2k50 n MET 7 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 2k50 s ASP 8 N -2.81 6.98 0.71 6.12 -4.77 -1.26 -5.07 116.67 116.56 2k50 s ASP 8 Ca 0.00 1.18 -0.02 0.00 -3.30 0.00 0.00 52.55 50.41 2k50 s ASP 8 Cb 0.00 -2.41 0.12 0.00 -1.09 0.00 0.00 42.92 39.54 2k50 s ASP 8 CO 0.00 -0.14 0.83 0.35 0.70 0.00 0.00 175.17 176.91 2k50 n THR 9 N 3.87 0.00 0.21 2.11 -2.24 -1.26 -4.79 114.28 112.18 2k50 n THR 9 Ca -0.01 -1.22 0.13 0.00 -2.27 0.00 0.00 64.05 60.69 2k50 n THR 9 Cb 0.51 -1.05 0.74 0.00 -2.10 0.00 0.00 70.33 68.42 2k50 n THR 9 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2k50 h ILE 10 N -0.68 0.77 -0.14 2.28 2.04 -1.88 0.17 117.51 120.07 2k50 h ILE 10 Ca -0.27 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.42 2k50 h ILE 10 Cb 0.98 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 2k50 h ILE 10 CO 0.28 0.00 -0.60 -1.28 0.00 0.00 0.00 178.15 176.55 2k50 h SER 11 N 0.00 0.54 1.09 1.72 0.87 -1.90 -3.24 113.55 112.63 2k50 h SER 11 Ca 0.06 -0.31 -0.14 0.00 -1.23 0.00 0.00 61.79 60.17 2k50 h SER 11 Cb 0.27 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 2k50 h SER 11 CO -0.00 1.02 -0.68 0.11 -0.53 0.00 0.00 176.83 176.74 2k50 h LYS 12 N 0.35 0.00 -6.10 2.24 1.79 -1.09 -3.46 116.57 110.31 2k50 h LYS 12 Ca -0.00 0.00 -0.72 0.00 -2.18 0.00 0.00 60.65 57.74 2k50 h LYS 12 Cb 1.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 2k50 h LYS 12 CO 0.11 0.68 1.06 1.28 -1.08 0.00 0.00 179.45 181.50 2k50 n LEU 13 N -3.40 2.23 -4.74 2.94 4.77 -0.25 -4.94 117.00 113.61 2k50 n LEU 13 Ca 0.00 0.89 -0.36 0.00 -0.03 0.00 0.00 56.01 56.52 2k50 n LEU 13 Cb 0.76 -1.15 -0.08 0.00 -2.33 0.00 0.00 43.42 40.61 2k50 n LEU 13 CO 0.43 -0.51 -0.26 -0.70 -1.33 0.00 0.00 177.39 175.01 2k50 s GLU 14 N 4.39 3.15 0.29 3.23 2.12 -1.26 -5.04 118.70 125.57 2k50 s GLU 14 Ca 1.03 -0.32 -0.30 0.00 0.36 0.00 0.00 54.97 55.74 2k50 s GLU 14 Cb -1.05 -2.93 -0.12 0.00 0.26 0.00 0.00 34.13 30.30 2k50 s GLU 14 CO 0.62 0.71 1.62 -0.85 -0.54 0.00 0.00 175.26 176.82 2k50 n GLU 15 N 2.13 2.74 -0.17 4.30 0.28 -1.26 -1.92 120.64 126.75 2k50 n GLU 15 Ca -0.19 0.98 0.00 0.00 -0.16 0.00 0.00 57.16 57.79 2k50 n GLU 15 Cb 0.54 -2.77 0.00 0.00 1.43 0.00 0.00 31.44 30.64 2k50 n GLU 15 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k50 n GLY 16 N 2.35 1.43 3.79 -1.84 0.00 0.26 -5.00 105.19 106.19 2k50 n GLY 16 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 2k50 n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k50 s ALA 17 N -2.75 3.54 -0.42 4.61 0.00 -0.81 -4.88 121.76 121.05 2k50 s ALA 17 Ca 0.00 0.11 -0.15 0.00 0.00 0.00 0.00 51.96 51.91 2k50 s ALA 17 Cb 0.00 -2.73 0.02 0.00 0.00 0.00 0.00 23.12 20.41 2k50 s ALA 17 CO 0.00 0.32 0.33 -2.00 0.00 0.00 0.00 175.76 174.42 2k50 s GLU 18 N -0.91 2.99 0.04 0.00 2.12 -1.26 -2.20 118.70 119.49 2k50 s GLU 18 Ca 0.31 -1.00 -0.16 0.00 0.36 0.00 0.00 54.97 54.48 2k50 s GLU 18 Cb -0.20 -3.99 0.03 0.00 0.26 0.00 0.00 34.13 30.23 2k50 s GLU 18 CO 0.20 -0.79 0.37 -0.08 -0.54 0.00 0.00 175.26 174.41 2k50 s THR 19 N 1.77 0.07 0.32 -1.70 -1.32 -0.38 -4.89 115.64 109.51 2k50 s THR 19 Ca 0.06 -0.54 -0.28 0.00 -1.21 0.00 0.00 61.69 59.72 2k50 s THR 19 Cb -0.19 -0.93 -0.10 0.00 -1.51 0.00 0.00 72.50 69.77 2k50 s THR 19 CO 0.10 -0.30 1.19 -2.84 -2.21 0.00 0.00 174.62 170.57 2k50 s PRO 20 N -2.44 4.42 0.09 7.08 0.02 -1.26 -2.17 135.00 140.73 2k50 s PRO 20 Ca -0.06 1.97 0.09 0.00 0.02 0.00 0.00 61.00 63.02 2k50 s PRO 20 Cb -0.01 -3.05 -0.03 0.00 0.02 0.00 0.00 34.50 31.43 2k50 s PRO 20 CO -0.02 -0.04 -0.24 0.14 -0.33 0.00 0.00 177.00 176.51 2k50 s VAL 21 N -1.20 1.93 0.01 3.83 -7.23 0.81 -4.89 120.40 113.66 2k50 s VAL 21 Ca 0.48 -1.50 0.07 0.00 -1.81 0.00 0.00 61.98 59.23 2k50 s VAL 21 Cb -0.35 -1.71 -0.02 0.00 0.56 0.00 0.00 36.38 34.87 2k50 s VAL 21 CO 0.45 0.12 -0.22 -0.89 -0.31 0.00 0.00 175.10 174.25 2k50 s THR 22 N -0.98 1.79 -0.22 5.32 2.01 -1.26 0.07 115.64 122.37 2k50 s THR 22 Ca 0.10 -1.11 -0.29 0.00 0.31 0.00 0.00 61.69 60.70 2k50 s THR 22 Cb -0.10 -1.52 0.15 0.00 0.01 0.00 0.00 72.50 71.05 2k50 s THR 22 CO 0.04 0.38 1.15 -0.83 -0.69 0.00 0.00 174.62 174.67 2k50 s GLY 23 N -0.86 -0.10 -0.30 4.40 0.00 -0.63 -4.68 107.32 105.16 2k50 s GLY 23 Ca 0.09 2.44 -0.20 0.00 0.00 0.00 0.00 44.72 47.04 2k50 s GLY 23 CO 0.00 1.15 0.63 0.50 0.00 0.00 0.00 173.10 175.39 2k50 s ARG 24 N -0.94 3.93 0.07 2.90 0.52 0.01 -1.96 118.95 123.48 2k50 s ARG 24 Ca 0.03 0.34 -0.31 0.00 -0.52 0.00 0.00 55.73 55.27 2k50 s ARG 24 Cb -0.01 -3.72 -0.09 0.00 0.52 0.00 0.00 34.95 31.65 2k50 s ARG 24 CO -0.03 -0.55 1.78 0.08 0.02 0.00 0.00 175.30 176.60 2k50 s VAL 25 N 2.60 2.91 -0.15 3.52 1.01 0.07 -0.99 120.40 129.38 2k50 s VAL 25 Ca 0.25 0.26 -0.04 0.00 0.00 0.00 0.00 61.98 62.45 2k50 s VAL 25 Cb -0.15 -3.17 -0.08 0.00 0.00 0.00 0.00 36.38 32.99 2k50 s VAL 25 CO 0.11 -0.01 -0.17 0.80 0.00 0.00 0.00 175.10 175.84 2k50 n MET 26 N 6.20 0.33 -4.30 2.72 1.56 -0.20 -3.26 117.12 120.18 2k50 n MET 26 Ca 0.17 0.12 -0.18 0.00 -0.27 0.00 0.00 57.70 57.54 2k50 n MET 26 Cb 0.40 -1.13 -0.14 0.00 2.15 0.00 0.00 33.22 34.50 2k50 n MET 26 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 2k50 s LYS 27 N -2.28 0.71 -0.05 2.12 -0.14 -1.09 -4.73 119.74 114.29 2k50 s LYS 27 Ca -0.20 -0.46 0.02 0.00 -1.36 0.00 0.00 55.97 53.97 2k50 s LYS 27 Cb 0.07 -0.67 0.02 0.00 -1.68 0.00 0.00 37.83 35.57 2k50 s LYS 27 CO 0.29 0.17 -0.07 0.42 -0.76 0.00 0.00 175.35 175.40 2k50 s ILE 28 N -0.49 0.73 -0.11 2.17 1.01 -1.26 -0.22 121.20 123.03 2k50 s ILE 28 Ca 0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 60.65 60.39 2k50 s ILE 28 Cb -0.05 -0.71 -0.03 0.00 0.01 0.00 0.00 42.46 41.68 2k50 s ILE 28 CO 0.00 0.26 -0.03 -0.44 0.00 0.00 0.00 174.94 174.73 2k50 s SER 29 N 0.72 4.95 0.77 3.58 0.01 0.07 -5.02 113.70 118.78 2k50 s SER 29 Ca -0.11 0.01 -0.15 0.00 1.31 0.00 0.00 55.95 57.01 2k50 s SER 29 Cb -0.14 -1.51 0.03 0.00 0.21 0.00 0.00 66.02 64.62 2k50 s SER 29 CO 0.01 0.30 0.98 -1.20 0.41 0.00 0.00 173.24 173.74 2k50 n SER 30 N 2.65 0.35 -4.68 2.44 7.64 -1.26 -3.58 113.62 117.18 2k50 n SER 30 Ca -0.18 0.60 -0.44 0.00 1.01 0.00 0.00 58.87 59.86 2k50 n SER 30 Cb 0.53 -1.41 -0.04 0.00 -1.01 0.00 0.00 64.21 62.28 2k50 n SER 30 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2k50 n PRO 31 N -2.29 2.60 -3.41 1.43 -0.04 -1.26 -4.61 135.00 127.41 2k50 n PRO 31 Ca 0.12 0.95 -0.38 0.00 -0.04 0.00 0.00 63.50 64.15 2k50 n PRO 31 Cb 0.50 -2.83 -0.07 0.00 -0.04 0.00 0.00 33.50 31.06 2k50 n PRO 31 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2k50 s ARG 32 N 3.10 4.20 0.18 0.54 3.52 0.98 -4.83 118.95 126.64 2k50 s ARG 32 Ca 0.85 0.19 -0.15 0.00 -0.13 0.00 0.00 55.73 56.50 2k50 s ARG 32 Cb -0.54 -3.51 -0.07 0.00 -1.56 0.00 0.00 34.95 29.26 2k50 s ARG 32 CO 0.41 0.02 0.59 0.99 -0.81 0.00 0.00 175.30 176.50 2k50 s THR 33 N 1.13 4.80 0.06 4.11 2.01 -1.26 -0.56 115.64 125.94 2k50 s THR 33 Ca 0.19 0.86 -0.11 0.00 0.31 0.00 0.00 61.69 62.94 2k50 s THR 33 Cb -0.14 -3.73 0.01 0.00 0.01 0.00 0.00 72.50 68.64 2k50 s THR 33 CO 0.07 0.16 0.24 0.72 -0.69 0.00 0.00 174.62 175.13 2k50 s PHE 34 N -1.56 0.02 -0.27 4.92 -0.12 0.28 -4.95 117.98 116.30 2k50 s PHE 34 Ca 0.41 -0.28 -0.25 0.00 -0.05 0.00 0.00 56.93 56.76 2k50 s PHE 34 Cb -0.14 0.02 -0.00 0.00 -0.63 0.00 0.00 43.02 42.26 2k50 s PHE 34 CO 0.20 -0.50 0.84 0.99 -0.05 0.00 0.00 175.22 176.69 2k50 s THR 35 N -3.03 4.79 0.21 -4.49 2.01 -1.26 -3.79 115.64 110.08 2k50 s THR 35 Ca -0.02 1.44 -0.13 0.00 0.31 0.00 0.00 61.69 63.30 2k50 s THR 35 Cb 0.01 -4.16 -0.07 0.00 0.01 0.00 0.00 72.50 68.29 2k50 s THR 35 CO -0.06 -0.18 0.59 0.42 -0.69 0.00 0.00 174.62 174.70 2k50 s THR 36 N 2.96 4.83 0.12 -0.82 -4.23 -1.24 -4.99 115.64 112.27 2k50 s THR 36 Ca 0.35 0.75 0.17 0.00 -1.18 0.00 0.00 61.69 61.78 2k50 s THR 36 Cb -0.15 -3.68 0.10 0.00 1.34 0.00 0.00 72.50 70.11 2k50 s THR 36 CO 0.10 0.06 1.66 -0.09 -0.54 0.00 0.00 174.62 175.81 2k50 h ARG 37 N 2.97 0.00 -0.24 3.99 9.65 -1.96 -3.27 114.38 125.52 2k50 h ARG 37 Ca -0.48 0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.32 2k50 h ARG 37 Cb 1.18 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.76 2k50 h ARG 37 CO 0.67 0.43 -0.17 -0.22 2.80 0.00 0.00 179.97 183.48 2k50 h LYS 38 N 0.00 0.54 0.00 0.20 1.63 -2.03 -3.47 116.57 113.44 2k50 h LYS 38 Ca -0.00 -0.26 0.00 0.00 -0.85 0.00 0.00 60.65 59.53 2k50 h LYS 38 Cb 1.02 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.65 2k50 h LYS 38 CO 0.06 0.84 0.00 0.41 -3.45 0.00 0.00 179.45 177.30 2k50 n GLY 39 N 0.08 0.61 3.95 5.01 0.00 -1.23 -5.16 105.19 108.45 2k50 n GLY 39 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 2k50 n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k50 s ARG 40 N 0.00 3.40 0.47 1.61 0.52 -1.26 -5.02 118.95 118.66 2k50 s ARG 40 Ca 0.00 -0.73 0.12 0.00 -0.52 0.00 0.00 55.73 54.59 2k50 s ARG 40 Cb 0.00 -2.89 1.07 0.00 0.52 0.00 0.00 34.95 33.65 2k50 s ARG 40 CO 0.00 0.46 2.10 1.05 0.02 0.00 0.00 175.30 178.92 2k50 h GLU 41 N 1.49 0.25 -3.13 3.54 4.11 -1.96 -3.30 114.58 115.58 2k50 h GLU 41 Ca -0.51 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 58.91 2k50 h GLU 41 Cb 1.22 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2k50 h GLU 41 CO 0.63 0.18 -0.56 0.41 0.07 0.00 0.00 179.01 179.74 2k50 n GLY 42 N -1.48 -4.63 3.15 1.06 0.00 -1.25 -3.70 105.19 98.34 2k50 n GLY 42 Ca -0.00 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.53 2k50 n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k50 s LYS 43 N -1.50 0.57 -0.03 1.61 1.02 -1.26 -0.55 119.74 119.59 2k50 s LYS 43 Ca 0.00 -0.41 -0.02 0.00 0.02 0.00 0.00 55.97 55.57 2k50 s LYS 43 Cb 0.00 0.24 0.02 0.00 -0.52 0.00 0.00 37.83 37.57 2k50 s LYS 43 CO 0.00 -0.15 0.07 -0.48 -0.92 0.00 0.00 175.35 173.88 2k50 s LEU 44 N -1.52 1.32 -0.01 3.17 0.05 0.27 0.65 118.68 122.61 2k50 s LEU 44 Ca -0.13 0.14 0.07 0.00 0.05 0.00 0.00 54.13 54.27 2k50 s LEU 44 Cb -0.06 0.17 -0.02 0.00 -2.05 0.00 0.00 46.19 44.23 2k50 s LEU 44 CO 0.01 -0.08 -0.22 0.00 -0.55 0.00 0.00 176.35 175.50 2k50 s ALA 45 N 0.61 2.33 -0.36 1.48 0.00 0.40 -0.02 121.76 126.21 2k50 s ALA 45 Ca -0.05 -1.11 -0.10 0.00 0.00 0.00 0.00 51.96 50.70 2k50 s ALA 45 Cb -0.07 -0.66 0.02 0.00 0.00 0.00 0.00 23.12 22.41 2k50 s ALA 45 CO -0.02 0.54 0.19 -0.80 0.00 0.00 0.00 175.76 175.67 2k50 s ASN 46 N -0.79 5.68 -0.21 0.00 0.01 -1.23 -0.47 114.94 117.92 2k50 s ASN 46 Ca 0.11 -0.92 -0.04 0.00 -0.71 0.00 0.00 52.86 51.30 2k50 s ASN 46 Cb -0.10 -2.01 -0.01 0.00 0.41 0.00 0.00 41.25 39.53 2k50 s ASN 46 CO 0.00 -0.35 -0.03 -0.69 -1.51 0.00 0.00 177.10 174.52 2k50 s VAL 47 N 1.56 3.54 -0.49 1.60 1.01 0.18 -0.76 120.40 127.04 2k50 s VAL 47 Ca 0.02 -0.44 -0.20 0.00 0.00 0.00 0.00 61.98 61.36 2k50 s VAL 47 Cb -0.19 -2.61 0.04 0.00 0.00 0.00 0.00 36.38 33.63 2k50 s VAL 47 CO 0.06 0.42 0.66 -0.63 0.00 0.00 0.00 175.10 175.62 2k50 s ILE 48 N 1.35 4.81 -0.03 2.22 -1.09 0.70 -0.34 121.20 128.81 2k50 s ILE 48 Ca 0.04 -0.19 -0.00 0.00 -2.23 0.00 0.00 60.65 58.27 2k50 s ILE 48 Cb -0.14 -4.29 -0.04 0.00 -1.58 0.00 0.00 42.46 36.41 2k50 s ILE 48 CO -0.01 -0.76 0.03 0.27 -1.23 0.00 0.00 174.94 173.24 2k50 s ILE 49 N 2.83 4.44 -0.09 2.92 -4.36 -0.49 -1.03 121.20 125.42 2k50 s ILE 49 Ca 0.19 -0.41 0.04 0.00 -0.26 0.00 0.00 60.65 60.21 2k50 s ILE 49 Cb -0.17 -2.97 0.00 0.00 1.25 0.00 0.00 42.46 40.58 2k50 s ILE 49 CO 0.15 0.44 -0.23 0.00 0.24 0.00 0.00 174.94 175.54 2k50 s ALA 50 N -1.07 2.11 0.31 2.27 0.00 -0.16 -0.43 121.76 124.79 2k50 s ALA 50 Ca 0.19 -0.94 0.11 0.00 0.00 0.00 0.00 51.96 51.32 2k50 s ALA 50 Cb -0.12 -0.78 -0.06 0.00 0.00 0.00 0.00 23.12 22.17 2k50 s ALA 50 CO 0.09 0.29 -0.15 0.34 0.00 0.00 0.00 175.76 176.33 2k50 s ASP 51 N 0.32 3.64 0.46 0.00 2.15 0.36 -0.81 116.67 122.80 2k50 s ASP 51 Ca -0.17 -1.11 0.32 0.00 0.43 0.00 0.00 52.55 52.02 2k50 s ASP 51 Cb -0.17 -0.32 1.61 0.00 -0.30 0.00 0.00 42.92 43.74 2k50 s ASP 51 CO 0.08 -0.07 1.96 0.44 -0.17 0.00 0.00 175.17 177.41 2k50 h ASP 52 N 2.16 0.00 0.20 -0.34 3.32 -2.00 -1.45 116.42 118.31 2k50 h ASP 52 Ca -0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 2k50 h ASP 52 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 2k50 h ASP 52 CO 0.65 0.00 -1.47 0.35 -1.72 0.00 0.00 179.24 177.05 2k50 n THR 53 N -2.65 0.10 0.00 0.35 -2.24 -1.26 -5.07 114.28 103.51 2k50 n THR 53 Ca -0.01 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 2k50 n THR 53 Cb 0.11 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 2k50 n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k50 n GLY 54 N 1.33 1.73 3.82 3.38 0.00 -0.55 -4.44 105.19 110.45 2k50 n GLY 54 Ca -0.01 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 2k50 n GLY 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k50 s GLU 55 N -2.00 3.03 0.01 1.61 2.02 -1.26 -0.48 118.70 121.63 2k50 s GLU 55 Ca 0.00 -0.64 0.02 0.00 0.02 0.00 0.00 54.97 54.37 2k50 s GLU 55 Cb 0.00 -2.80 -0.01 0.00 0.10 0.00 0.00 34.13 31.42 2k50 s GLU 55 CO 0.00 0.57 -0.07 -1.17 0.02 0.00 0.00 175.26 174.60 2k50 s LEU 56 N -2.50 2.11 -0.52 1.80 2.96 0.43 -3.71 118.68 119.25 2k50 s LEU 56 Ca 0.31 -0.28 -0.17 0.00 -0.22 0.00 0.00 54.13 53.77 2k50 s LEU 56 Cb -0.12 -0.29 0.10 0.00 0.50 0.00 0.00 46.19 46.37 2k50 s LEU 56 CO 0.24 -0.02 0.51 -0.60 -1.32 0.00 0.00 176.35 175.16 2k50 s ARG 57 N -0.70 3.01 -0.10 1.98 3.52 -0.03 -1.39 118.95 125.24 2k50 s ARG 57 Ca -0.02 -1.42 -0.26 0.00 -0.13 0.00 0.00 55.73 53.89 2k50 s ARG 57 Cb -0.05 -4.21 -0.02 0.00 -1.56 0.00 0.00 34.95 29.10 2k50 s ARG 57 CO 0.00 -1.25 0.86 0.00 -0.81 0.00 0.00 175.30 174.11 2k50 s ALA 58 N 1.91 3.39 -0.35 6.12 0.00 0.54 -1.00 121.76 132.37 2k50 s ALA 58 Ca 0.06 0.21 -0.08 0.00 0.00 0.00 0.00 51.96 52.15 2k50 s ALA 58 Cb -0.26 -3.23 0.03 0.00 0.00 0.00 0.00 23.12 19.67 2k50 s ALA 58 CO 0.06 -0.45 0.15 0.08 0.00 0.00 0.00 175.76 175.60 2k50 s VAL 59 N 1.62 4.13 -0.54 0.00 1.01 0.14 -0.65 120.40 126.11 2k50 s VAL 59 Ca 0.42 -1.00 -0.21 0.00 0.00 0.00 0.00 61.98 61.20 2k50 s VAL 59 Cb -0.18 -3.32 0.06 0.00 0.00 0.00 0.00 36.38 32.94 2k50 s VAL 59 CO 0.17 -0.20 0.74 -0.36 0.00 0.00 0.00 175.10 175.46 2k50 s PHE 60 N 1.47 2.94 0.81 5.22 0.40 0.38 -2.57 117.98 126.63 2k50 s PHE 60 Ca 0.00 -0.46 -0.11 0.00 -0.60 0.00 0.00 56.93 55.76 2k50 s PHE 60 Cb -0.19 -3.79 0.08 0.00 0.51 0.00 0.00 43.02 39.62 2k50 s PHE 60 CO 0.04 -1.20 1.09 -1.58 0.70 0.00 0.00 175.22 174.28 2k50 s TRP 61 N 3.10 2.75 0.28 0.36 0.52 -1.26 -0.45 118.94 124.23 2k50 s TRP 61 Ca 0.19 1.20 0.05 0.00 0.02 0.00 0.00 56.10 57.56 2k50 s TRP 61 Cb -0.18 -3.11 0.76 0.00 -1.15 0.00 0.00 33.47 29.79 2k50 s TRP 61 CO 0.13 -1.85 1.34 -2.37 0.02 0.00 0.00 176.95 174.22 2k50 n THR 62 N -3.49 -0.36 0.26 2.01 5.66 0.21 0.73 114.28 119.30 2k50 n THR 62 Ca 0.07 1.84 0.15 0.00 -3.05 0.00 0.00 64.05 63.06 2k50 n THR 62 Cb 0.56 -2.75 0.56 0.00 -1.55 0.00 0.00 70.33 67.15 2k50 n THR 62 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 2k50 h GLU 63 N 0.00 0.00 -0.02 1.09 4.39 -1.92 -2.97 114.58 115.15 2k50 h GLU 63 Ca 0.56 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.26 2k50 h GLU 63 Cb 1.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 2k50 h GLU 63 CO -0.77 0.05 -0.21 0.09 -1.16 0.00 0.00 179.01 177.01 2k50 n ASN 64 N -3.15 2.40 -0.32 1.42 4.13 0.22 -4.52 115.26 115.44 2k50 n ASN 64 Ca 0.01 -1.70 0.09 0.00 1.68 0.00 0.00 54.58 54.66 2k50 n ASN 64 Cb 0.37 0.23 0.30 0.00 -1.54 0.00 0.00 39.78 39.13 2k50 n ASN 64 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 2k50 h ILE 65 N 3.34 0.89 0.00 2.41 1.08 -1.20 -0.26 117.51 123.77 2k50 h ILE 65 Ca 0.00 -0.30 0.00 0.00 -0.39 0.00 0.00 64.86 64.17 2k50 h ILE 65 Cb 0.81 -0.06 0.00 0.00 -3.07 0.00 0.00 36.82 34.51 2k50 h ILE 65 CO 0.00 0.16 0.00 0.07 -0.69 0.00 0.00 178.15 177.69 2k50 h LYS 66 N 0.87 0.00 0.00 2.37 2.10 -1.80 -1.89 116.57 118.22 2k50 h LYS 66 Ca 0.47 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 59.09 2k50 h LYS 66 Cb 0.57 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.90 2k50 h LYS 66 CO -0.24 0.00 -0.17 -0.07 -2.00 0.00 0.00 179.45 176.97 2k50 h LEU 67 N 0.00 0.00 -2.11 7.07 3.38 -1.36 -3.25 115.31 119.04 2k50 h LEU 67 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2k50 h LEU 67 Cb 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2k50 h LEU 67 CO 0.00 0.17 -0.07 -0.07 0.09 0.00 0.00 178.44 178.56 2k50 h LEU 68 N 0.00 0.00 -0.27 1.67 3.38 -1.47 -1.93 115.31 116.69 2k50 h LEU 68 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k50 h LEU 68 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2k50 h LEU 68 CO 0.02 0.07 0.00 0.07 0.09 0.00 0.00 178.44 178.69 2k50 h LYS 69 N 0.00 0.00 -0.18 1.13 2.10 -1.76 -3.27 116.57 114.59 2k50 h LYS 69 Ca -0.00 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.44 2k50 h LYS 69 Cb 0.16 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.50 2k50 h LYS 69 CO 0.01 0.00 -0.72 0.87 -2.00 0.00 0.00 179.45 177.61 2k50 h LYS 70 N 0.00 0.80 -5.84 0.07 1.57 -1.56 -3.46 116.57 108.15 2k50 h LYS 70 Ca 0.00 -0.62 -0.60 0.00 -1.87 0.00 0.00 60.65 57.56 2k50 h LYS 70 Cb 0.67 0.12 -0.14 0.00 0.08 0.00 0.00 32.23 32.96 2k50 h LYS 70 CO 0.00 1.23 -0.67 -0.59 -0.57 0.00 0.00 179.45 178.85 2k50 s PHE 71 N -3.82 2.34 0.21 -1.35 -0.71 -1.23 -5.10 117.98 108.31 2k50 s PHE 71 Ca -0.11 -0.55 0.08 0.00 -1.04 0.00 0.00 56.93 55.31 2k50 s PHE 71 Cb 0.09 -1.37 -0.05 0.00 -1.21 0.00 0.00 43.02 40.48 2k50 s PHE 71 CO 0.90 0.52 -0.15 1.03 -1.34 0.00 0.00 175.22 176.18 2k50 s ARG 72 N -3.64 1.35 -0.67 1.99 0.52 -1.26 -4.91 118.95 112.33 2k50 s ARG 72 Ca 0.32 -1.59 -0.26 0.00 -0.52 0.00 0.00 55.73 53.68 2k50 s ARG 72 Cb 0.03 -1.17 -0.11 0.00 0.52 0.00 0.00 34.95 34.23 2k50 s ARG 72 CO 0.16 0.20 2.40 -2.00 0.02 0.00 0.00 175.30 176.07 2k50 s GLU 73 N -3.61 1.81 0.00 3.54 2.12 -1.26 -1.63 118.70 119.67 2k50 s GLU 73 Ca 0.23 0.85 0.00 0.00 0.36 0.00 0.00 54.97 56.40 2k50 s GLU 73 Cb -0.01 -4.71 0.00 0.00 0.26 0.00 0.00 34.13 29.67 2k50 s GLU 73 CO 0.07 -3.96 0.00 0.41 -0.54 0.00 0.00 175.26 171.24 2k50 n GLY 74 N 6.48 1.76 3.62 -1.50 0.00 -1.20 -4.98 105.19 109.37 2k50 n GLY 74 Ca 0.42 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 46.02 2k50 n GLY 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k50 s ASP 75 N 0.00 1.34 -0.08 1.61 1.01 -0.65 -4.56 116.67 115.34 2k50 s ASP 75 Ca 0.00 0.73 0.02 0.00 0.71 0.00 0.00 52.55 54.01 2k50 s ASP 75 Cb 0.00 -1.06 -0.02 0.00 1.01 0.00 0.00 42.92 42.85 2k50 s ASP 75 CO 0.00 -3.88 -0.14 -0.69 0.21 0.00 0.00 175.17 170.68 2k50 s VAL 76 N -3.03 3.07 0.07 -1.27 1.01 -1.26 -0.75 120.40 118.24 2k50 s VAL 76 Ca 0.70 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.99 2k50 s VAL 76 Cb -0.11 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 2k50 s VAL 76 CO 0.56 0.57 -0.05 0.27 0.00 0.00 0.00 175.10 176.45 2k50 s ILE 77 N -0.33 0.44 -0.17 2.22 -4.36 -0.83 -0.56 121.20 117.62 2k50 s ILE 77 Ca 0.03 -1.66 -0.00 0.00 -0.26 0.00 0.00 60.65 58.76 2k50 s ILE 77 Cb -0.13 -1.32 0.04 0.00 1.25 0.00 0.00 42.46 42.31 2k50 s ILE 77 CO 0.02 -0.81 -0.06 -0.60 0.24 0.00 0.00 174.94 173.74 2k50 s ARG 78 N -3.28 1.51 -0.16 0.37 3.52 0.83 -1.60 118.95 120.14 2k50 s ARG 78 Ca 0.04 -0.54 -0.19 0.00 -0.13 0.00 0.00 55.73 54.91 2k50 s ARG 78 Cb 0.02 -2.03 -0.04 0.00 -1.56 0.00 0.00 34.95 31.35 2k50 s ARG 78 CO -0.05 -0.42 0.52 0.42 -0.81 0.00 0.00 175.30 174.96 2k50 s ILE 79 N 1.61 5.13 -0.14 4.11 1.01 0.11 -1.56 121.20 131.47 2k50 s ILE 79 Ca 0.01 1.00 -0.09 0.00 0.00 0.00 0.00 60.65 61.56 2k50 s ILE 79 Cb -0.15 -3.85 -0.05 0.00 0.01 0.00 0.00 42.46 38.42 2k50 s ILE 79 CO -0.08 0.23 0.18 -0.75 0.00 0.00 0.00 174.94 174.52 2k50 s LYS 80 N 1.22 3.80 -0.29 2.79 2.20 0.02 -0.14 119.74 129.35 2k50 s LYS 80 Ca 0.26 -0.08 -0.10 0.00 -0.36 0.00 0.00 55.97 55.69 2k50 s LYS 80 Cb -0.15 -3.29 0.01 0.00 -1.51 0.00 0.00 37.83 32.89 2k50 s LYS 80 CO 0.10 0.57 0.39 -0.25 -0.36 0.00 0.00 175.35 175.80 2k50 n ASP 81 N 2.61 -5.80 -4.15 1.43 8.00 -1.26 -3.29 116.55 114.09 2k50 n ASP 81 Ca -0.17 0.32 -0.11 0.00 0.71 0.00 0.00 54.79 55.54 2k50 n ASP 81 Cb 0.54 -3.81 -0.10 0.00 -0.02 0.00 0.00 41.12 37.72 2k50 n ASP 81 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2k50 s VAL 82 N -2.08 0.64 -0.20 2.53 -7.23 -0.92 -4.18 120.40 108.95 2k50 s VAL 82 Ca 0.15 -1.82 -0.06 0.00 -1.81 0.00 0.00 61.98 58.44 2k50 s VAL 82 Cb -0.04 -1.54 -0.03 0.00 0.56 0.00 0.00 36.38 35.33 2k50 s VAL 82 CO 0.49 -0.82 0.03 0.20 -0.31 0.00 0.00 175.10 174.69 2k50 s ASN 83 N -2.86 5.18 -0.35 4.85 0.02 -0.62 -1.25 114.94 119.90 2k50 s ASN 83 Ca 0.09 -0.09 -0.28 0.00 -1.02 0.00 0.00 52.86 51.56 2k50 s ASN 83 Cb 0.04 -1.89 0.02 0.00 0.02 0.00 0.00 41.25 39.44 2k50 s ASN 83 CO -0.05 0.10 1.05 -0.63 0.02 0.00 0.00 177.10 177.60 2k50 s ILE 84 N 0.79 4.48 0.00 0.60 -1.09 -0.93 -1.42 121.20 123.62 2k50 s ILE 84 Ca 0.02 1.55 0.00 0.00 -2.23 0.00 0.00 60.65 59.99 2k50 s ILE 84 Cb -0.14 -4.43 0.00 0.00 -1.58 0.00 0.00 42.46 36.31 2k50 s ILE 84 CO 0.02 -0.57 0.00 0.54 -1.23 0.00 0.00 174.94 173.70 2k50 n ARG 85 N 7.00 0.00 0.00 2.79 5.12 -0.96 -0.57 116.66 130.03 2k50 n ARG 85 Ca 0.11 0.27 0.00 0.00 -1.93 0.00 0.00 57.85 56.30 2k50 n ARG 85 Cb 0.48 -0.74 0.00 0.00 -1.16 0.00 0.00 32.46 31.04 2k50 n ARG 85 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k50 n GLY 86 N 2.02 1.06 3.59 -0.13 0.00 -1.26 -4.56 105.19 105.91 2k50 n GLY 86 Ca 0.00 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2k50 n GLY 86 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k50 s GLY 87 N 0.00 0.99 -0.62 -0.02 0.00 -1.26 -4.86 107.32 101.55 2k50 s GLY 87 Ca 0.00 -0.31 -0.26 0.00 0.00 0.00 0.00 44.72 44.15 2k50 s GLY 87 CO 0.00 2.82 2.29 -0.11 0.00 0.00 0.00 173.10 178.10 2k50 s PHE 88 N 5.80 1.23 0.00 1.90 -0.71 -1.26 -3.79 117.98 121.15 2k50 s PHE 88 Ca 0.60 1.50 0.00 0.00 -1.04 0.00 0.00 56.93 57.99 2k50 s PHE 88 Cb -0.13 -3.65 0.00 0.00 -1.21 0.00 0.00 43.02 38.03 2k50 s PHE 88 CO 0.30 -2.17 0.00 0.41 -1.34 0.00 0.00 175.22 172.42 2k50 n GLY 89 N 6.25 0.00 4.44 1.99 0.00 -1.26 -4.98 105.19 111.62 2k50 n GLY 89 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 2k50 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k50 n GLY 90 N 0.00 2.18 3.56 -0.02 0.00 -1.25 -4.88 105.19 104.78 2k50 n GLY 90 Ca 0.00 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 2k50 n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k50 s ARG 91 N 0.00 2.61 0.07 1.61 0.52 -1.26 -4.92 118.95 117.58 2k50 s ARG 91 Ca 0.00 0.83 -0.01 0.00 -0.52 0.00 0.00 55.73 56.03 2k50 s ARG 91 Cb 0.00 -4.40 0.02 0.00 0.52 0.00 0.00 34.95 31.09 2k50 s ARG 91 CO 0.00 -2.73 0.08 1.63 0.02 0.00 0.00 175.30 174.30 2k50 n LYS 92 N 9.08 -0.54 -3.91 3.54 5.02 -1.24 -4.30 118.16 125.81 2k50 n LYS 92 Ca 0.23 -0.12 -0.10 0.00 -2.02 0.00 0.00 58.31 56.30 2k50 n LYS 92 Cb 0.52 -0.09 -0.11 0.00 -0.02 0.00 0.00 35.03 35.33 2k50 n LYS 92 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2k50 s GLU 93 N -3.17 0.34 -0.08 1.97 -1.05 -1.26 -0.85 118.70 114.59 2k50 s GLU 93 Ca 0.05 -0.38 0.01 0.00 -0.15 0.00 0.00 54.97 54.49 2k50 s GLU 93 Cb -0.00 0.13 0.02 0.00 -0.44 0.00 0.00 34.13 33.84 2k50 s GLU 93 CO 0.03 -0.07 -0.09 0.00 0.95 0.00 0.00 175.26 176.09 2k50 s ALA 94 N -1.13 1.21 -0.16 -0.84 0.00 -0.17 -2.28 121.76 118.39 2k50 s ALA 94 Ca -0.12 -0.43 -0.07 0.00 0.00 0.00 0.00 51.96 51.34 2k50 s ALA 94 Cb -0.07 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 2k50 s ALA 94 CO 0.00 -0.16 0.07 -1.01 0.00 0.00 0.00 175.76 174.67 2k50 s HIS 95 N 1.21 3.31 0.77 0.00 3.76 -0.51 -0.69 115.29 123.14 2k50 s HIS 95 Ca -0.05 0.18 -0.08 0.00 -0.15 0.00 0.00 55.06 54.97 2k50 s HIS 95 Cb -0.14 -2.03 0.11 0.00 1.11 0.00 0.00 32.58 31.64 2k50 s HIS 95 CO -0.02 0.30 1.09 -0.51 -0.85 0.00 0.00 174.74 174.74 2k50 s LEU 96 N -0.02 2.83 0.17 0.89 1.02 -1.06 -1.59 118.68 120.92 2k50 s LEU 96 Ca 0.07 0.21 0.05 0.00 0.02 0.00 0.00 54.13 54.48 2k50 s LEU 96 Cb -0.12 -2.64 -0.05 0.00 0.02 0.00 0.00 46.19 43.41 2k50 s LEU 96 CO 0.01 -1.95 -0.11 -0.04 0.02 0.00 0.00 176.35 174.28 2k50 s MET 97 N -5.38 1.16 0.47 1.70 -1.94 -1.26 -4.80 119.30 109.25 2k50 s MET 97 Ca 0.65 -1.51 0.25 0.00 -1.71 0.00 0.00 55.69 53.37 2k50 s MET 97 Cb -0.08 -0.77 1.29 0.00 2.01 0.00 0.00 34.83 37.28 2k50 s MET 97 CO 0.47 0.09 1.83 -1.35 -0.01 0.00 0.00 175.02 176.05 2k50 h PRO 98 N 2.69 0.21 -0.21 2.03 0.11 -1.96 0.30 132.00 135.16 2k50 h PRO 98 Ca -0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2k50 h PRO 98 Cb 1.20 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2k50 h PRO 98 CO 0.63 0.14 0.00 0.54 -0.21 0.00 0.00 178.00 179.10 2k50 n ARG 99 N -4.41 1.88 -2.74 1.05 1.74 -1.26 -4.91 116.66 108.00 2k50 n ARG 99 Ca 0.22 -1.33 -0.39 0.00 -0.77 0.00 0.00 57.85 55.57 2k50 n ARG 99 Cb 0.92 -1.41 -0.06 0.00 -1.02 0.00 0.00 32.46 30.89 2k50 n ARG 99 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2k50 s SER 100 N -1.54 7.56 0.30 0.55 0.01 0.09 -4.99 113.70 115.68 2k50 s SER 100 Ca 0.33 1.94 0.06 0.00 1.31 0.00 0.00 55.95 59.59 2k50 s SER 100 Cb 0.18 -2.60 -0.06 0.00 0.21 0.00 0.00 66.02 63.75 2k50 s SER 100 CO 0.27 0.10 -0.02 0.42 0.41 0.00 0.00 173.24 174.42 2k50 s THR 101 N -1.28 1.52 -0.03 1.44 -4.23 -1.21 -4.90 115.64 106.96 2k50 s THR 101 Ca 0.43 -2.08 0.04 0.00 -1.18 0.00 0.00 61.69 58.90 2k50 s THR 101 Cb -0.25 -2.58 -0.00 0.00 1.34 0.00 0.00 72.50 71.01 2k50 s THR 101 CO 0.31 -0.20 -0.13 0.68 -0.54 0.00 0.00 174.62 174.74 2k50 s VAL 102 N -3.09 1.10 0.04 2.29 -7.23 -1.26 -0.80 120.40 111.45 2k50 s VAL 102 Ca 0.32 -0.55 0.08 0.00 -1.81 0.00 0.00 61.98 60.02 2k50 s VAL 102 Cb 0.06 -0.94 -0.03 0.00 0.56 0.00 0.00 36.38 36.03 2k50 s VAL 102 CO 0.13 0.32 -0.23 -1.83 -0.31 0.00 0.00 175.10 173.18 2k50 s GLU 103 N -0.04 1.90 0.04 4.82 -1.05 -0.60 -4.96 118.70 118.81 2k50 s GLU 103 Ca -0.00 -1.06 -0.17 0.00 -0.15 0.00 0.00 54.97 53.58 2k50 s GLU 103 Cb -0.08 -2.06 -0.06 0.00 -0.44 0.00 0.00 34.13 31.49 2k50 s GLU 103 CO 0.01 0.52 0.49 0.14 0.95 0.00 0.00 175.26 177.37 2k50 s VAL 104 N -0.85 4.88 0.40 1.83 -7.23 -1.26 -0.12 120.40 118.05 2k50 s VAL 104 Ca 0.13 1.02 0.05 0.00 -1.81 0.00 0.00 61.98 61.38 2k50 s VAL 104 Cb -0.10 -3.81 -0.07 0.00 0.56 0.00 0.00 36.38 32.97 2k50 s VAL 104 CO 0.03 0.55 0.03 -0.76 -0.31 0.00 0.00 175.10 174.64 2k50 s LEU 105 N -1.14 2.60 0.00 1.32 1.43 0.27 -4.08 118.68 119.09 2k50 s LEU 105 Ca 0.27 -1.42 0.00 0.00 -1.03 0.00 0.00 54.13 51.95 2k50 s LEU 105 Cb -0.18 -0.72 0.00 0.00 0.03 0.00 0.00 46.19 45.32 2k50 s LEU 105 CO 0.16 -0.56 0.00 0.47 0.23 0.00 0.00 176.35 176.66 2k50 n ASP 106 N -0.95 0.00 -4.35 2.29 9.92 -1.26 -4.17 116.55 118.03 2k50 n ASP 106 Ca -0.06 0.00 -0.20 0.00 -0.53 0.00 0.00 54.79 54.00 2k50 n ASP 106 Cb 0.67 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 41.03 2k50 n ASP 106 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 2k50 n PRO 107 N 0.00 0.07 -1.75 -0.24 -0.02 -1.26 -4.88 135.00 126.91 2k50 n PRO 107 Ca 0.00 -1.54 -0.39 0.00 -2.02 0.00 0.00 63.50 59.55 2k50 n PRO 107 Cb 0.00 -3.61 -0.03 0.00 -0.02 0.00 0.00 33.50 29.84 2k50 n PRO 107 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2k50 s LEU 108 N 13.68 3.40 0.00 2.45 1.98 -1.26 -4.79 118.68 134.14 2k50 s LEU 108 Ca 0.78 1.08 0.22 0.00 -2.89 0.00 0.00 54.13 53.32 2k50 s LEU 108 Cb -0.01 -2.85 -0.01 0.00 0.66 0.00 0.00 46.19 43.99 2k50 s LEU 108 CO 0.22 -2.42 1.07 -0.62 -1.89 0.00 0.00 176.35 172.71 2k50 n GLU 109 N 8.92 0.67 0.00 1.98 -0.58 -1.26 -5.11 120.64 125.27 2k50 n GLU 109 Ca 0.29 -0.54 0.15 0.00 -0.42 0.00 0.00 57.16 56.64 2k50 n GLU 109 Cb 0.51 -1.49 0.90 0.00 -0.57 0.00 0.00 31.44 30.79 2k50 n GLU 109 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23