#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 3.50 0.43 0.03 -2.85 -1.26 -5.12 119.74 114.46 2k50 s LYS 2 Ca 0.00 -0.54 -0.07 0.00 -1.00 0.00 0.00 55.97 54.36 2k50 s LYS 2 Cb 0.00 -2.83 0.11 0.00 -2.06 0.00 0.00 37.83 33.04 2k50 s LYS 2 CO 0.00 0.31 0.30 -0.35 0.10 0.00 0.00 175.35 175.71 2k50 n PRO 3 N 3.30 -2.41 -0.09 1.78 -0.04 -1.26 -4.97 135.00 131.32 2k50 n PRO 3 Ca -0.18 -0.49 0.12 0.00 -0.04 0.00 0.00 63.50 62.92 2k50 n PRO 3 Cb 0.53 -0.56 0.23 0.00 -0.04 0.00 0.00 33.50 33.66 2k50 n PRO 3 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2k50 n GLU 4 N -2.93 2.26 -2.76 0.54 0.28 -1.26 -4.93 120.64 111.84 2k50 n GLU 4 Ca 0.04 -1.87 -0.42 0.00 -0.16 0.00 0.00 57.16 54.75 2k50 n GLU 4 Cb 0.18 -1.48 -0.03 0.00 1.43 0.00 0.00 31.44 31.55 2k50 n GLU 4 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 2k50 s HIS 5 N -1.77 3.41 -0.27 -1.84 3.76 -1.26 -5.00 115.29 112.32 2k50 s HIS 5 Ca 0.34 1.40 -0.01 0.00 -0.15 0.00 0.00 55.06 56.65 2k50 s HIS 5 Cb 0.21 -3.15 0.16 0.00 1.11 0.00 0.00 32.58 30.91 2k50 s HIS 5 CO 0.31 -0.33 0.45 0.50 -0.85 0.00 0.00 174.74 174.82 2k50 s ARG 6 N 2.52 0.43 -1.47 1.40 6.06 -1.26 -4.81 118.95 121.81 2k50 s ARG 6 Ca 0.42 0.58 0.00 0.00 -2.50 0.00 0.00 55.73 54.23 2k50 s ARG 6 Cb -0.16 -0.15 0.00 0.00 0.06 0.00 0.00 34.95 34.70 2k50 s ARG 6 CO 0.11 -0.73 0.00 -1.33 -2.50 0.00 0.00 175.30 170.85 2k50 n MET 7 N 5.38 -1.89 -1.98 5.12 2.81 -1.25 -4.91 117.12 120.40 2k50 n MET 7 Ca -0.02 0.83 -0.41 0.00 -1.81 0.00 0.00 57.70 56.30 2k50 n MET 7 Cb 0.50 -5.44 -0.01 0.00 -0.71 0.00 0.00 33.22 27.56 2k50 n MET 7 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2k50 s ASP 8 N -2.07 6.60 0.92 7.83 1.01 -1.26 -4.93 116.67 124.76 2k50 s ASP 8 Ca 0.00 2.82 -0.10 0.00 0.71 0.00 0.00 52.55 55.97 2k50 s ASP 8 Cb 0.00 -2.65 0.14 0.00 1.01 0.00 0.00 42.92 41.42 2k50 s ASP 8 CO 0.00 -0.68 1.12 0.42 0.21 0.00 0.00 175.17 176.24 2k50 s THR 9 N -0.96 2.31 0.42 -1.27 -4.23 -1.26 -4.68 115.64 105.97 2k50 s THR 9 Ca 0.52 0.10 0.14 0.00 -1.18 0.00 0.00 61.69 61.27 2k50 s THR 9 Cb -0.43 -2.23 0.35 0.00 1.34 0.00 0.00 72.50 71.53 2k50 s THR 9 CO 0.55 -0.13 1.92 0.40 -0.54 0.00 0.00 174.62 176.82 2k50 h ILE 10 N -1.81 0.82 -0.65 2.99 2.04 -1.87 0.28 117.51 119.31 2k50 h ILE 10 Ca -0.45 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 2k50 h ILE 10 Cb 1.27 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 2k50 h ILE 10 CO 0.45 0.08 0.36 -1.28 0.00 0.00 0.00 178.15 177.77 2k50 h SER 11 N 0.46 0.80 0.37 1.72 0.87 -1.88 -2.71 113.55 113.17 2k50 h SER 11 Ca 0.37 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 2k50 h SER 11 Cb 0.79 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 2k50 h SER 11 CO -0.12 0.64 -0.22 0.29 -0.53 0.00 0.00 176.83 176.89 2k50 n LYS 12 N -4.38 0.61 -1.75 2.24 4.76 0.92 -4.90 118.16 115.67 2k50 n LYS 12 Ca 0.06 -0.29 -0.42 0.00 -2.87 0.00 0.00 58.31 54.79 2k50 n LYS 12 Cb 0.09 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.76 2k50 n LYS 12 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2k50 s LEU 13 N -2.59 4.40 -0.22 -0.35 1.43 -0.83 -4.91 118.68 115.61 2k50 s LEU 13 Ca 0.24 2.68 -0.06 0.00 -1.03 0.00 0.00 54.13 55.96 2k50 s LEU 13 Cb 0.19 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.83 2k50 s LEU 13 CO 0.53 -1.00 0.04 -0.70 0.23 0.00 0.00 176.35 175.45 2k50 s GLU 14 N 3.16 3.68 0.14 1.70 2.12 -1.26 -5.07 118.70 123.18 2k50 s GLU 14 Ca 0.81 -0.48 -0.32 0.00 0.36 0.00 0.00 54.97 55.34 2k50 s GLU 14 Cb -0.44 -3.19 -0.12 0.00 0.26 0.00 0.00 34.13 30.64 2k50 s GLU 14 CO 0.37 -0.03 1.77 -0.85 -0.54 0.00 0.00 175.26 175.97 2k50 n GLU 15 N 4.41 2.65 0.00 4.30 0.28 -1.26 -1.29 120.64 129.73 2k50 n GLU 15 Ca -0.17 0.96 0.00 0.00 -0.16 0.00 0.00 57.16 57.79 2k50 n GLU 15 Cb 0.52 -2.82 0.00 0.00 1.43 0.00 0.00 31.44 30.57 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 4.03 2.94 3.88 -1.84 0.00 0.50 -4.97 105.19 109.73 2k50 n GLY 16 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.77 3.31 -0.27 4.61 0.00 -0.41 -4.88 121.76 121.36 2k50 s ALA 17 Ca 0.00 -0.24 0.02 0.00 0.00 0.00 0.00 51.96 51.75 2k50 s ALA 17 Cb 0.00 -2.75 0.07 0.00 0.00 0.00 0.00 23.12 20.44 2k50 s ALA 17 CO 0.00 -0.19 -0.06 -2.00 0.00 0.00 0.00 175.76 173.51 2k50 s GLU 18 N -4.25 1.89 -0.01 0.00 2.12 -1.26 -1.28 118.70 115.91 2k50 s GLU 18 Ca 0.51 -1.30 -0.19 0.00 0.36 0.00 0.00 54.97 54.35 2k50 s GLU 18 Cb -0.10 -2.81 0.04 0.00 0.26 0.00 0.00 34.13 31.51 2k50 s GLU 18 CO 0.37 -0.65 0.41 -0.08 -0.54 0.00 0.00 175.26 174.77 2k50 s THR 19 N 1.18 0.05 0.53 -1.70 -1.32 -0.91 -4.91 115.64 108.55 2k50 s THR 19 Ca -0.05 -0.38 -0.21 0.00 -1.21 0.00 0.00 61.69 59.84 2k50 s THR 19 Cb -0.19 -0.76 -0.05 0.00 -1.51 0.00 0.00 72.50 69.98 2k50 s THR 19 CO -0.06 -0.21 1.27 -2.16 -2.21 0.00 0.00 174.62 171.25 2k50 s PRO 20 N -1.53 3.27 0.36 7.08 0.04 -1.26 -3.32 135.00 139.64 2k50 s PRO 20 Ca -0.11 2.02 0.06 0.00 0.04 0.00 0.00 61.00 63.01 2k50 s PRO 20 Cb -0.03 -2.23 -0.07 0.00 0.04 0.00 0.00 34.50 32.21 2k50 s PRO 20 CO 0.04 -1.02 0.01 0.14 0.04 0.00 0.00 177.00 176.22 2k50 s VAL 21 N -1.43 1.66 -0.06 -0.36 -7.23 0.20 -3.86 120.40 109.33 2k50 s VAL 21 Ca 0.71 -2.03 -0.07 0.00 -1.81 0.00 0.00 61.98 58.78 2k50 s VAL 21 Cb -0.35 -2.82 0.02 0.00 0.56 0.00 0.00 36.38 33.78 2k50 s VAL 21 CO 0.41 -0.06 0.18 -0.89 -0.31 0.00 0.00 175.10 174.44 2k50 s THR 22 N -2.96 0.02 0.00 5.32 2.01 -1.26 -0.68 115.64 118.07 2k50 s THR 22 Ca 0.35 -0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.21 2k50 s THR 22 Cb 0.08 -0.30 0.00 0.00 0.01 0.00 0.00 72.50 72.29 2k50 s THR 22 CO 0.16 -0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.63 2k50 n GLY 23 N 2.67 0.70 3.72 4.40 0.00 -0.35 -4.67 105.19 111.66 2k50 n GLY 23 Ca -0.15 -0.77 -0.40 0.00 0.00 0.00 0.00 46.02 44.71 2k50 n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k50 s ARG 24 N -2.00 4.45 -0.40 1.61 0.52 -0.48 -1.03 118.95 121.61 2k50 s ARG 24 Ca 0.00 0.95 -0.28 0.00 -0.52 0.00 0.00 55.73 55.88 2k50 s ARG 24 Cb 0.00 -3.43 -0.03 0.00 0.52 0.00 0.00 34.95 32.01 2k50 s ARG 24 CO 0.00 0.11 1.94 0.08 0.02 0.00 0.00 175.30 177.46 2k50 s VAL 25 N 0.60 3.33 -0.21 3.52 1.01 0.80 -0.34 120.40 129.12 2k50 s VAL 25 Ca 0.38 0.30 -0.07 0.00 0.00 0.00 0.00 61.98 62.60 2k50 s VAL 25 Cb -0.18 -3.55 -0.20 0.00 0.00 0.00 0.00 36.38 32.44 2k50 s VAL 25 CO 0.20 -0.43 0.03 0.80 0.00 0.00 0.00 175.10 175.70 2k50 n MET 26 N 8.72 0.67 -4.28 2.72 1.56 0.32 -0.49 117.12 126.34 2k50 n MET 26 Ca 0.25 0.26 -0.20 0.00 -0.27 0.00 0.00 57.70 57.74 2k50 n MET 26 Cb 0.49 -1.61 -0.16 0.00 2.15 0.00 0.00 33.22 34.09 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 -2.51 0.87 -0.20 2.12 -0.14 -0.77 -4.73 119.74 114.37 2k50 s LYS 27 Ca -0.30 -0.21 -0.01 0.00 -1.36 0.00 0.00 55.97 54.09 2k50 s LYS 27 Cb 0.09 -0.83 0.01 0.00 -1.68 0.00 0.00 37.83 35.41 2k50 s LYS 27 CO 0.64 0.03 -0.14 0.42 -0.76 0.00 0.00 175.35 175.55 2k50 s ILE 28 N 0.47 2.60 -0.05 2.17 1.01 -1.26 -0.16 121.20 125.99 2k50 s ILE 28 Ca -0.07 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 59.84 2k50 s ILE 28 Cb -0.11 -2.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.19 2k50 s ILE 28 CO 0.00 0.49 -0.05 -0.44 0.00 0.00 0.00 174.94 174.95 2k50 s SER 29 N 1.35 4.79 0.66 3.58 0.01 -0.21 -5.03 113.70 118.86 2k50 s SER 29 Ca 0.05 -0.02 -0.16 0.00 1.31 0.00 0.00 55.95 57.13 2k50 s SER 29 Cb -0.14 -1.22 0.00 0.00 0.21 0.00 0.00 66.02 64.88 2k50 s SER 29 CO -0.09 0.34 1.16 -0.44 0.41 0.00 0.00 173.24 174.63 2k50 s SER 30 N -1.04 4.83 0.30 2.44 0.01 -1.26 -3.79 113.70 115.18 2k50 s SER 30 Ca 0.14 2.21 -0.29 0.00 1.31 0.00 0.00 55.95 59.33 2k50 s SER 30 Cb -0.11 -2.58 -0.10 0.00 0.21 0.00 0.00 66.02 63.44 2k50 s SER 30 CO 0.04 -1.83 1.44 -2.16 0.41 0.00 0.00 173.24 171.14 2k50 s PRO 31 N -3.83 4.24 -0.26 12.44 0.04 -1.26 -4.57 135.00 141.80 2k50 s PRO 31 Ca 0.72 2.38 -0.10 0.00 0.04 0.00 0.00 61.00 64.04 2k50 s PRO 31 Cb -0.26 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 2k50 s PRO 31 CO 0.40 -0.42 0.14 0.50 0.04 0.00 0.00 177.00 177.67 2k50 s ARG 32 N -1.05 3.88 0.20 4.56 3.52 0.35 -4.88 118.95 125.53 2k50 s ARG 32 Ca 0.56 -0.36 -0.17 0.00 -0.13 0.00 0.00 55.73 55.63 2k50 s ARG 32 Cb -0.43 -3.52 -0.08 0.00 -1.56 0.00 0.00 34.95 29.36 2k50 s ARG 32 CO 0.50 -0.12 0.66 0.99 -0.81 0.00 0.00 175.30 176.52 2k50 s THR 33 N 1.53 4.69 0.14 4.11 2.01 -1.26 -1.12 115.64 125.74 2k50 s THR 33 Ca 0.07 1.07 -0.06 0.00 0.31 0.00 0.00 61.69 63.08 2k50 s THR 33 Cb -0.15 -3.79 -0.02 0.00 0.01 0.00 0.00 72.50 68.55 2k50 s THR 33 CO 0.07 0.18 0.17 0.72 -0.69 0.00 0.00 174.62 175.08 2k50 s PHE 34 N -1.54 0.55 -0.15 4.92 -0.12 0.34 -4.96 117.98 117.02 2k50 s PHE 34 Ca 0.42 -0.94 -0.25 0.00 -0.05 0.00 0.00 56.93 56.11 2k50 s PHE 34 Cb -0.15 -0.23 -0.02 0.00 -0.63 0.00 0.00 43.02 41.99 2k50 s PHE 34 CO 0.20 -0.61 0.81 0.99 -0.05 0.00 0.00 175.22 176.56 2k50 s THR 35 N -3.98 4.91 0.02 -4.49 2.01 -1.26 -4.03 115.64 108.81 2k50 s THR 35 Ca 0.18 1.60 -0.00 0.00 0.31 0.00 0.00 61.69 63.77 2k50 s THR 35 Cb 0.05 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 2k50 s THR 35 CO -0.01 0.06 0.13 0.42 -0.69 0.00 0.00 174.62 174.54 2k50 s THR 36 N 1.92 5.01 0.20 -0.82 -4.23 -1.25 -5.00 115.64 111.47 2k50 s THR 36 Ca 0.38 -0.39 0.30 0.00 -1.18 0.00 0.00 61.69 60.80 2k50 s THR 36 Cb -0.17 -3.35 0.32 0.00 1.34 0.00 0.00 72.50 70.65 2k50 s THR 36 CO 0.14 0.27 1.97 0.03 -0.54 0.00 0.00 174.62 176.49 2k50 h ARG 37 N 3.73 0.00 0.00 3.99 3.08 -1.97 -2.61 114.38 120.60 2k50 h ARG 37 Ca -0.48 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.48 2k50 h ARG 37 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 2k50 h ARG 37 CO 0.67 0.10 -0.41 0.87 -1.07 0.00 0.00 179.97 180.13 2k50 h LYS 38 N 0.00 0.00 0.00 0.04 1.79 -2.03 -3.47 116.57 112.90 2k50 h LYS 38 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2k50 h LYS 38 Cb 0.53 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 2k50 h LYS 38 CO 0.01 0.41 0.00 0.41 -1.08 0.00 0.00 179.45 179.20 2k50 n GLY 39 N 0.21 0.76 3.94 3.86 0.00 -0.98 -5.10 105.19 107.88 2k50 n GLY 39 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.89 3.39 0.22 1.61 0.52 -1.26 -4.97 118.95 117.56 2k50 s ARG 40 Ca 0.00 -0.25 -0.16 0.00 -0.52 0.00 0.00 55.73 54.81 2k50 s ARG 40 Cb 0.00 -2.57 0.24 0.00 0.52 0.00 0.00 34.95 33.14 2k50 s ARG 40 CO 0.00 -0.05 1.59 1.05 0.02 0.00 0.00 175.30 177.91 2k50 h GLU 41 N 0.53 -0.06 -3.21 3.54 4.11 -1.97 -3.33 114.58 114.19 2k50 h GLU 41 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2k50 h GLU 41 Cb 1.22 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2k50 h GLU 41 CO 0.60 -0.04 -0.56 0.41 0.07 0.00 0.00 179.01 179.50 2k50 n GLY 42 N -1.48 -4.61 3.19 1.06 0.00 -1.26 -3.79 105.19 98.31 2k50 n GLY 42 Ca 0.08 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.45 0.63 -0.03 1.61 1.02 -1.26 -0.50 119.74 119.76 2k50 s LYS 43 Ca 0.00 -0.38 0.00 0.00 0.02 0.00 0.00 55.97 55.61 2k50 s LYS 43 Cb 0.00 0.27 0.03 0.00 -0.52 0.00 0.00 37.83 37.61 2k50 s LYS 43 CO 0.00 -0.17 0.01 -0.48 -0.92 0.00 0.00 175.35 173.78 2k50 s LEU 44 N -1.59 1.04 0.11 3.17 0.05 -0.27 0.13 118.68 121.31 2k50 s LEU 44 Ca -0.11 -0.02 0.10 0.00 0.05 0.00 0.00 54.13 54.15 2k50 s LEU 44 Cb -0.05 -0.21 -0.04 0.00 -2.05 0.00 0.00 46.19 43.84 2k50 s LEU 44 CO 0.01 -0.12 -0.25 0.00 -0.55 0.00 0.00 176.35 175.44 2k50 s ALA 45 N 1.18 2.43 -0.30 1.48 0.00 0.10 -0.50 121.76 126.15 2k50 s ALA 45 Ca -0.08 -1.39 -0.03 0.00 0.00 0.00 0.00 51.96 50.46 2k50 s ALA 45 Cb -0.13 -0.47 0.04 0.00 0.00 0.00 0.00 23.12 22.55 2k50 s ALA 45 CO -0.02 0.55 0.02 -0.80 0.00 0.00 0.00 175.76 175.51 2k50 s ASN 46 N -1.88 4.90 -0.24 0.00 0.01 -1.25 -0.73 114.94 115.75 2k50 s ASN 46 Ca 0.14 -1.11 -0.03 0.00 -0.71 0.00 0.00 52.86 51.16 2k50 s ASN 46 Cb -0.10 -1.75 0.01 0.00 0.41 0.00 0.00 41.25 39.81 2k50 s ASN 46 CO 0.06 -0.24 -0.05 -0.69 -1.51 0.00 0.00 177.10 174.67 2k50 s VAL 47 N 1.33 3.16 -0.39 1.60 1.01 -0.15 -1.05 120.40 125.91 2k50 s VAL 47 Ca -0.03 -0.76 -0.20 0.00 0.00 0.00 0.00 61.98 61.00 2k50 s VAL 47 Cb -0.19 -2.52 0.01 0.00 0.00 0.00 0.00 36.38 33.68 2k50 s VAL 47 CO -0.00 0.30 0.59 -0.63 0.00 0.00 0.00 175.10 175.36 2k50 s ILE 48 N 1.41 4.91 0.02 2.22 -1.09 0.77 -0.02 121.20 129.42 2k50 s ILE 48 Ca 0.03 0.27 0.02 0.00 -2.23 0.00 0.00 60.65 58.74 2k50 s ILE 48 Cb -0.15 -4.10 -0.04 0.00 -1.58 0.00 0.00 42.46 36.59 2k50 s ILE 48 CO -0.04 -0.41 0.03 0.27 -1.23 0.00 0.00 174.94 173.56 2k50 s ILE 49 N 2.63 4.31 -0.10 2.92 -4.36 -0.18 -0.52 121.20 125.90 2k50 s ILE 49 Ca 0.21 -0.63 0.01 0.00 -0.26 0.00 0.00 60.65 59.98 2k50 s ILE 49 Cb -0.15 -2.97 0.02 0.00 1.25 0.00 0.00 42.46 40.61 2k50 s ILE 49 CO 0.16 0.31 -0.12 0.00 0.24 0.00 0.00 174.94 175.53 2k50 s ALA 50 N -1.18 1.48 0.30 2.27 0.00 0.54 -0.47 121.76 124.69 2k50 s ALA 50 Ca 0.22 -0.61 0.08 0.00 0.00 0.00 0.00 51.96 51.65 2k50 s ALA 50 Cb -0.12 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 2k50 s ALA 50 CO 0.14 -0.19 0.15 0.34 0.00 0.00 0.00 175.76 176.19 2k50 s ASP 51 N 1.24 5.01 0.37 0.00 2.15 0.47 -1.39 116.67 124.52 2k50 s ASP 51 Ca -0.03 -0.54 0.26 0.00 0.43 0.00 0.00 52.55 52.68 2k50 s ASP 51 Cb -0.14 -1.00 1.30 0.00 -0.30 0.00 0.00 42.92 42.78 2k50 s ASP 51 CO -0.04 -0.16 1.80 -2.24 -0.17 0.00 0.00 175.17 174.36 2k50 h ASP 52 N 1.56 0.00 0.23 -0.34 2.03 -2.01 -1.61 116.42 116.28 2k50 h ASP 52 Ca -0.45 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 2k50 h ASP 52 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 2k50 h ASP 52 CO 0.61 0.00 -1.33 0.35 -1.03 0.00 0.00 179.24 177.84 2k50 n THR 53 N -2.44 0.10 0.00 1.15 -2.24 -1.26 -5.07 114.28 104.52 2k50 n THR 53 Ca -0.00 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2k50 n THR 53 Cb 0.13 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 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 1.35 1.61 3.72 3.38 0.00 -0.61 -3.99 105.19 110.66 2k50 n GLY 54 Ca 0.00 -0.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.76 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 2.70 0.02 1.61 2.02 -1.26 -0.39 118.70 121.40 2k50 s GLU 55 Ca 0.00 -0.75 -0.01 0.00 0.02 0.00 0.00 54.97 54.23 2k50 s GLU 55 Cb 0.00 -2.63 -0.02 0.00 0.10 0.00 0.00 34.13 31.58 2k50 s GLU 55 CO 0.00 0.56 -0.01 -1.17 0.02 0.00 0.00 175.26 174.66 2k50 s LEU 56 N -2.26 2.16 -0.40 1.80 2.96 0.38 -4.04 118.68 119.29 2k50 s LEU 56 Ca 0.26 -0.48 -0.12 0.00 -0.22 0.00 0.00 54.13 53.57 2k50 s LEU 56 Cb -0.12 0.18 0.04 0.00 0.50 0.00 0.00 46.19 46.79 2k50 s LEU 56 CO 0.19 -0.32 0.25 -0.60 -1.32 0.00 0.00 176.35 174.54 2k50 s ARG 57 N -1.55 2.81 -0.21 1.98 3.52 0.40 -1.01 118.95 124.90 2k50 s ARG 57 Ca -0.15 -1.16 -0.26 0.00 -0.13 0.00 0.00 55.73 54.02 2k50 s ARG 57 Cb -0.09 -3.81 -0.01 0.00 -1.56 0.00 0.00 34.95 29.48 2k50 s ARG 57 CO -0.01 -0.78 0.89 0.00 -0.81 0.00 0.00 175.30 174.59 2k50 s ALA 58 N 1.56 3.60 -0.47 6.12 0.00 0.97 -0.08 121.76 133.46 2k50 s ALA 58 Ca 0.03 0.02 -0.16 0.00 0.00 0.00 0.00 51.96 51.85 2k50 s ALA 58 Cb -0.20 -3.34 0.06 0.00 0.00 0.00 0.00 23.12 19.65 2k50 s ALA 58 CO 0.06 -0.84 0.42 0.08 0.00 0.00 0.00 175.76 175.48 2k50 s VAL 59 N 2.64 5.18 -0.52 0.00 1.01 0.20 -0.98 120.40 127.94 2k50 s VAL 59 Ca 0.39 -0.91 -0.20 0.00 0.00 0.00 0.00 61.98 61.26 2k50 s VAL 59 Cb -0.16 -4.13 0.06 0.00 0.00 0.00 0.00 36.38 32.15 2k50 s VAL 59 CO 0.09 -0.58 0.67 -0.36 0.00 0.00 0.00 175.10 174.92 2k50 s PHE 60 N 1.82 3.01 0.76 5.22 0.40 0.09 -2.71 117.98 126.56 2k50 s PHE 60 Ca 0.06 -0.51 -0.11 0.00 -0.60 0.00 0.00 56.93 55.77 2k50 s PHE 60 Cb -0.23 -3.64 0.05 0.00 0.51 0.00 0.00 43.02 39.70 2k50 s PHE 60 CO 0.08 -1.10 1.08 -1.58 0.70 0.00 0.00 175.22 174.40 2k50 s TRP 61 N 2.80 2.85 0.49 0.36 0.52 -1.26 0.00 118.94 124.71 2k50 s TRP 61 Ca 0.17 1.37 0.36 0.00 0.02 0.00 0.00 56.10 58.01 2k50 s TRP 61 Cb -0.19 -3.00 1.50 0.00 -1.15 0.00 0.00 33.47 30.63 2k50 s TRP 61 CO 0.12 -1.60 1.67 0.00 0.02 0.00 0.00 176.95 177.17 2k50 h THR 62 N -0.98 0.21 0.00 2.01 1.03 -0.67 0.63 112.91 115.15 2k50 h THR 62 Ca -0.45 -0.03 -0.09 0.00 -0.01 0.00 0.00 66.41 65.83 2k50 h THR 62 Cb 1.24 0.12 -0.01 0.00 -1.07 0.00 0.00 68.15 68.43 2k50 h THR 62 CO 0.56 0.01 -0.43 -0.33 -0.01 0.00 0.00 175.52 175.32 2k50 h GLU 63 N 0.08 0.00 -0.02 0.00 4.39 -1.91 -3.17 114.58 113.95 2k50 h GLU 63 Ca 0.76 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.46 2k50 h GLU 63 Cb 2.69 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 31.34 2k50 h GLU 63 CO -0.19 0.43 -0.31 0.09 -1.16 0.00 0.00 179.01 177.87 2k50 n ASN 64 N -3.47 2.36 -0.22 1.42 4.13 0.21 -4.46 115.26 115.23 2k50 n ASN 64 Ca 0.00 -1.68 0.16 0.00 1.68 0.00 0.00 54.58 54.74 2k50 n ASN 64 Cb 0.57 0.31 0.47 0.00 -1.54 0.00 0.00 39.78 39.60 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 3.21 0.77 -0.02 2.41 1.08 -1.26 -0.55 117.51 123.15 2k50 h ILE 65 Ca 0.00 -0.17 0.01 0.00 -0.39 0.00 0.00 64.86 64.31 2k50 h ILE 65 Cb 0.84 0.24 -0.00 0.00 -3.07 0.00 0.00 36.82 34.82 2k50 h ILE 65 CO 0.00 0.09 0.17 0.07 -0.69 0.00 0.00 178.15 177.79 2k50 h LYS 66 N 0.49 0.00 0.00 2.37 2.10 -1.80 -1.33 116.57 118.40 2k50 h LYS 66 Ca 0.42 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 59.00 2k50 h LYS 66 Cb 0.92 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.24 2k50 h LYS 66 CO -0.16 0.00 -0.36 -0.07 -2.00 0.00 0.00 179.45 176.85 2k50 h LEU 67 N 0.00 0.00 -2.33 7.07 3.38 -1.43 -3.33 115.31 118.68 2k50 h LEU 67 Ca 0.01 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2k50 h LEU 67 Cb 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 2k50 h LEU 67 CO -0.00 0.34 0.04 -0.07 0.09 0.00 0.00 178.44 178.83 2k50 h LEU 68 N 0.00 0.00 -0.28 1.67 3.38 -1.37 -1.65 115.31 117.05 2k50 h LEU 68 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2k50 h LEU 68 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2k50 h LEU 68 CO 0.04 0.00 0.00 2.29 0.09 0.00 0.00 178.44 180.86 2k50 n LYS 69 N -4.00 0.15 -0.00 1.13 2.85 -1.25 -3.83 118.16 113.21 2k50 n LYS 69 Ca -0.02 0.28 -0.17 0.00 -1.05 0.00 0.00 58.31 57.35 2k50 n LYS 69 Cb 0.13 -1.74 -0.12 0.00 -0.65 0.00 0.00 35.03 32.65 2k50 n LYS 69 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 2k50 h LYS 70 N 0.00 0.27 -6.06 -1.58 1.57 -1.55 -3.47 116.57 105.75 2k50 h LYS 70 Ca 0.00 -0.33 -0.55 0.00 -1.87 0.00 0.00 60.65 57.90 2k50 h LYS 70 Cb 0.46 0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.80 2k50 h LYS 70 CO 0.00 1.06 -0.53 -0.59 -0.57 0.00 0.00 179.45 178.83 2k50 s PHE 71 N -2.92 2.68 0.32 -1.35 -0.71 -1.25 -5.10 117.98 109.64 2k50 s PHE 71 Ca -0.15 -0.43 0.08 0.00 -1.04 0.00 0.00 56.93 55.40 2k50 s PHE 71 Cb 0.01 -1.72 -0.06 0.00 -1.21 0.00 0.00 43.02 40.04 2k50 s PHE 71 CO 0.79 0.29 -0.08 1.03 -1.34 0.00 0.00 175.22 175.91 2k50 s ARG 72 N -3.86 1.71 -0.82 1.99 0.52 -1.26 -4.99 118.95 112.24 2k50 s ARG 72 Ca 0.39 -1.88 -0.25 0.00 -0.52 0.00 0.00 55.73 53.47 2k50 s ARG 72 Cb -0.01 -1.48 -0.05 0.00 0.52 0.00 0.00 34.95 33.93 2k50 s ARG 72 CO 0.23 0.10 1.96 -2.00 0.02 0.00 0.00 175.30 175.61 2k50 s GLU 73 N -3.66 2.51 0.00 3.54 2.12 -1.26 -2.26 118.70 119.68 2k50 s GLU 73 Ca 0.31 0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.65 2k50 s GLU 73 Cb 0.03 -4.87 0.00 0.00 0.26 0.00 0.00 34.13 29.55 2k50 s GLU 73 CO 0.15 -3.29 0.00 0.41 -0.54 0.00 0.00 175.26 171.99 2k50 n GLY 74 N 6.56 1.00 3.76 -1.50 0.00 0.35 -4.95 105.19 110.41 2k50 n GLY 74 Ca 0.36 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.08 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 2.64 -0.09 1.61 1.01 -0.96 -4.64 116.67 116.24 2k50 s ASP 75 Ca 0.00 0.70 -0.03 0.00 0.71 0.00 0.00 52.55 53.94 2k50 s ASP 75 Cb 0.00 -1.06 -0.03 0.00 1.01 0.00 0.00 42.92 42.84 2k50 s ASP 75 CO 0.00 -3.06 0.03 -0.69 0.21 0.00 0.00 175.17 171.66 2k50 s VAL 76 N -3.34 4.59 0.05 -1.27 1.01 -1.15 -0.14 120.40 120.14 2k50 s VAL 76 Ca 0.68 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.53 2k50 s VAL 76 Cb -0.11 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 2k50 s VAL 76 CO 0.54 0.59 -0.09 0.27 0.00 0.00 0.00 175.10 176.41 2k50 s ILE 77 N -0.93 0.69 -0.25 2.22 -4.36 -0.20 -0.17 121.20 118.20 2k50 s ILE 77 Ca 0.14 -1.08 0.03 0.00 -0.26 0.00 0.00 60.65 59.47 2k50 s ILE 77 Cb -0.11 -0.72 0.05 0.00 1.25 0.00 0.00 42.46 42.93 2k50 s ILE 77 CO 0.03 -0.30 -0.12 -0.60 0.24 0.00 0.00 174.94 174.19 2k50 s ARG 78 N -1.52 2.31 -0.19 0.37 3.52 0.67 -1.22 118.95 122.89 2k50 s ARG 78 Ca -0.07 -1.25 -0.20 0.00 -0.13 0.00 0.00 55.73 54.08 2k50 s ARG 78 Cb -0.09 -2.82 -0.03 0.00 -1.56 0.00 0.00 34.95 30.44 2k50 s ARG 78 CO 0.01 -0.52 0.57 0.42 -0.81 0.00 0.00 175.30 174.97 2k50 s ILE 79 N 1.15 5.07 -0.27 4.11 1.01 0.14 -1.61 121.20 130.79 2k50 s ILE 79 Ca -0.07 1.07 -0.13 0.00 0.00 0.00 0.00 60.65 61.52 2k50 s ILE 79 Cb -0.19 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 2k50 s ILE 79 CO -0.06 0.15 0.29 -0.75 0.00 0.00 0.00 174.94 174.57 2k50 s LYS 80 N 1.71 3.99 -0.14 2.79 2.20 -0.57 -0.62 119.74 129.10 2k50 s LYS 80 Ca 0.27 -0.12 -0.02 0.00 -0.36 0.00 0.00 55.97 55.74 2k50 s LYS 80 Cb -0.16 -3.66 0.01 0.00 -1.51 0.00 0.00 37.83 32.52 2k50 s LYS 80 CO 0.10 -0.23 0.04 -0.25 -0.36 0.00 0.00 175.35 174.65 2k50 n ASP 81 N 5.19 -3.85 -4.12 1.43 8.00 -1.26 -3.72 116.55 118.22 2k50 n ASP 81 Ca -0.11 0.72 -0.08 0.00 0.71 0.00 0.00 54.79 56.02 2k50 n ASP 81 Cb 0.51 -3.19 -0.10 0.00 -0.02 0.00 0.00 41.12 38.32 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 -0.68 0.16 -0.29 2.53 -7.23 -1.21 -4.42 120.40 109.27 2k50 s VAL 82 Ca -0.05 -1.86 -0.10 0.00 -1.81 0.00 0.00 61.98 58.17 2k50 s VAL 82 Cb 0.00 -1.78 -0.03 0.00 0.56 0.00 0.00 36.38 35.13 2k50 s VAL 82 CO 0.40 -0.73 0.15 0.20 -0.31 0.00 0.00 175.10 174.81 2k50 s ASN 83 N -2.98 5.65 -0.05 4.85 0.02 -0.25 -2.14 114.94 120.04 2k50 s ASN 83 Ca 0.16 -0.25 -0.29 0.00 -1.02 0.00 0.00 52.86 51.46 2k50 s ASN 83 Cb 0.08 -2.04 -0.02 0.00 0.02 0.00 0.00 41.25 39.29 2k50 s ASN 83 CO -0.04 -0.11 0.95 -0.63 0.02 0.00 0.00 177.10 177.30 2k50 s ILE 84 N 1.68 4.86 0.38 0.60 -1.09 -0.40 -0.91 121.20 126.32 2k50 s ILE 84 Ca 0.06 1.98 0.05 0.00 -2.23 0.00 0.00 60.65 60.51 2k50 s ILE 84 Cb -0.16 -4.28 -0.06 0.00 -1.58 0.00 0.00 42.46 36.37 2k50 s ILE 84 CO 0.08 0.11 0.04 -0.13 -1.23 0.00 0.00 174.94 173.81 2k50 s ARG 85 N 1.36 1.85 -0.55 2.79 1.81 0.66 -0.37 118.95 126.50 2k50 s ARG 85 Ca 0.49 -2.06 -0.19 0.00 -1.72 0.00 0.00 55.73 52.25 2k50 s ARG 85 Cb -0.20 -1.23 0.09 0.00 -0.45 0.00 0.00 34.95 33.16 2k50 s ARG 85 CO 0.23 -0.17 0.65 0.20 -0.68 0.00 0.00 175.30 175.54 2k50 s GLY 86 N -3.62 1.80 -0.91 -3.53 0.00 -1.26 -2.78 107.32 97.01 2k50 s GLY 86 Ca 0.32 -2.06 -0.24 0.00 0.00 0.00 0.00 44.72 42.74 2k50 s GLY 86 CO 0.15 1.50 1.33 -0.32 0.00 0.00 0.00 173.10 175.77 2k50 s GLY 87 N 3.24 1.25 0.57 0.20 0.00 -1.26 -4.86 107.32 106.45 2k50 s GLY 87 Ca 0.12 -2.06 0.27 0.00 0.00 0.00 0.00 44.72 43.05 2k50 s GLY 87 CO 0.08 2.56 2.01 0.27 0.00 0.00 0.00 173.10 178.02 2k50 h PHE 88 N 9.73 0.00 -0.42 1.90 -0.00 -1.95 -2.91 116.94 123.29 2k50 h PHE 88 Ca 0.04 0.00 -0.59 0.00 -0.00 0.00 0.00 57.97 57.41 2k50 h PHE 88 Cb 1.03 0.00 -0.05 0.00 -0.00 0.00 0.00 35.95 36.93 2k50 h PHE 88 CO 1.21 0.00 2.41 0.41 -0.00 0.00 0.00 178.31 182.34 2k50 n GLY 89 N -1.51 4.32 5.69 6.09 0.00 -1.26 -4.89 105.19 113.63 2k50 n GLY 89 Ca 0.06 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.44 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 2.62 1.69 3.69 -0.02 0.00 -1.10 -4.86 105.19 107.22 2k50 n GLY 90 Ca 0.65 0.22 -0.42 0.00 0.00 0.00 0.00 46.02 46.47 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 4.25 0.80 1.61 0.52 -1.26 -4.77 118.95 120.10 2k50 s ARG 91 Ca 0.00 2.13 -0.13 0.00 -0.52 0.00 0.00 55.73 57.20 2k50 s ARG 91 Cb 0.00 -3.57 0.20 0.00 0.52 0.00 0.00 34.95 32.10 2k50 s ARG 91 CO 0.00 -0.64 0.67 1.63 0.02 0.00 0.00 175.30 176.98 2k50 n LYS 92 N 5.43 -2.61 -3.98 3.54 5.02 -1.26 -4.11 118.16 120.19 2k50 n LYS 92 Ca 0.14 -1.08 -0.10 0.00 -2.02 0.00 0.00 58.31 55.26 2k50 n LYS 92 Cb 0.42 -1.06 -0.11 0.00 -0.02 0.00 0.00 35.03 34.26 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 -4.53 0.31 -0.14 1.97 -1.05 -1.12 -0.46 118.70 113.69 2k50 s GLU 93 Ca 0.44 -0.58 0.00 0.00 -0.15 0.00 0.00 54.97 54.68 2k50 s GLU 93 Cb -0.05 0.07 0.03 0.00 -0.44 0.00 0.00 34.13 33.73 2k50 s GLU 93 CO 0.35 -0.04 -0.11 0.00 0.95 0.00 0.00 175.26 176.41 2k50 s ALA 94 N -1.36 1.67 -0.21 -0.84 0.00 0.88 -0.25 121.76 121.65 2k50 s ALA 94 Ca -0.14 -0.80 -0.18 0.00 0.00 0.00 0.00 51.96 50.83 2k50 s ALA 94 Cb -0.09 -1.03 -0.03 0.00 0.00 0.00 0.00 23.12 21.97 2k50 s ALA 94 CO -0.01 -0.45 0.51 -1.01 0.00 0.00 0.00 175.76 174.80 2k50 s HIS 95 N 1.56 3.36 0.97 0.00 3.76 -0.09 -0.63 115.29 124.22 2k50 s HIS 95 Ca 0.04 0.74 -0.16 0.00 -0.15 0.00 0.00 55.06 55.53 2k50 s HIS 95 Cb -0.13 -2.67 0.21 0.00 1.11 0.00 0.00 32.58 31.10 2k50 s HIS 95 CO -0.10 -0.12 1.33 -0.51 -0.85 0.00 0.00 174.74 174.49 2k50 s LEU 96 N 1.71 2.75 0.07 0.89 1.02 -1.10 -1.09 118.68 122.93 2k50 s LEU 96 Ca 0.23 0.19 0.04 0.00 0.02 0.00 0.00 54.13 54.61 2k50 s LEU 96 Cb -0.15 -2.20 -0.03 0.00 0.02 0.00 0.00 46.19 43.83 2k50 s LEU 96 CO 0.09 -2.78 -0.12 -0.04 0.02 0.00 0.00 176.35 173.52 2k50 s MET 97 N -5.89 0.76 0.45 1.70 -1.94 -1.26 -4.88 119.30 108.24 2k50 s MET 97 Ca 0.75 -0.94 0.27 0.00 -1.71 0.00 0.00 55.69 54.06 2k50 s MET 97 Cb -0.03 -0.68 1.32 0.00 2.01 0.00 0.00 34.83 37.45 2k50 s MET 97 CO 0.53 0.14 1.74 -1.35 -0.01 0.00 0.00 175.02 176.07 2k50 h PRO 98 N 4.24 0.20 0.00 2.03 0.11 -1.98 0.37 132.00 136.96 2k50 h PRO 98 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2k50 h PRO 98 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2k50 h PRO 98 CO 0.42 0.13 -1.15 0.54 -0.21 0.00 0.00 178.00 177.72 2k50 n ARG 99 N -4.50 0.45 -2.37 1.05 1.74 -1.26 -4.84 116.66 106.94 2k50 n ARG 99 Ca 0.29 0.01 -0.41 0.00 -0.77 0.00 0.00 57.85 56.98 2k50 n ARG 99 Cb 1.15 -1.66 -0.04 0.00 -1.02 0.00 0.00 32.46 30.90 2k50 n ARG 99 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2k50 s SER 100 N -4.50 7.12 0.47 0.55 1.04 0.12 -5.04 113.70 113.45 2k50 s SER 100 Ca 0.01 2.37 0.04 0.00 0.48 0.00 0.00 55.95 58.84 2k50 s SER 100 Cb 0.13 -2.63 -0.04 0.00 0.10 0.00 0.00 66.02 63.58 2k50 s SER 100 CO 0.81 -0.27 0.04 0.42 0.98 0.00 0.00 173.24 175.22 2k50 s THR 101 N -0.97 1.56 -0.03 2.02 -4.23 -1.24 -4.75 115.64 108.00 2k50 s THR 101 Ca 0.47 -1.95 0.03 0.00 -1.18 0.00 0.00 61.69 59.06 2k50 s THR 101 Cb -0.34 -2.51 -0.00 0.00 1.34 0.00 0.00 72.50 70.99 2k50 s THR 101 CO 0.43 0.00 -0.11 0.68 -0.54 0.00 0.00 174.62 175.08 2k50 s VAL 102 N -2.79 0.95 0.03 2.29 -7.23 -1.26 -1.51 120.40 110.88 2k50 s VAL 102 Ca 0.20 -0.46 0.06 0.00 -1.81 0.00 0.00 61.98 59.97 2k50 s VAL 102 Cb 0.05 -0.82 -0.03 0.00 0.56 0.00 0.00 36.38 36.13 2k50 s VAL 102 CO 0.11 0.28 -0.14 -1.83 -0.31 0.00 0.00 175.10 173.21 2k50 s GLU 103 N 0.06 2.22 -0.11 4.82 -1.05 -0.63 -4.98 118.70 119.03 2k50 s GLU 103 Ca -0.02 -0.90 -0.09 0.00 -0.15 0.00 0.00 54.97 53.81 2k50 s GLU 103 Cb -0.08 -2.29 -0.04 0.00 -0.44 0.00 0.00 34.13 31.27 2k50 s GLU 103 CO 0.01 0.56 0.20 0.14 0.95 0.00 0.00 175.26 177.11 2k50 s VAL 104 N -0.95 5.40 0.36 1.83 -7.23 -1.26 -0.24 120.40 118.30 2k50 s VAL 104 Ca 0.16 0.35 0.08 0.00 -1.81 0.00 0.00 61.98 60.75 2k50 s VAL 104 Cb -0.11 -3.48 -0.04 0.00 0.56 0.00 0.00 36.38 33.31 2k50 s VAL 104 CO 0.06 0.58 0.17 -0.76 -0.31 0.00 0.00 175.10 174.83 2k50 s LEU 105 N -0.77 3.24 0.00 1.32 1.43 0.76 -3.68 118.68 120.97 2k50 s LEU 105 Ca 0.16 -0.83 0.00 0.00 -1.03 0.00 0.00 54.13 52.42 2k50 s LEU 105 Cb -0.13 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.40 2k50 s LEU 105 CO 0.05 -0.37 0.00 -0.67 0.23 0.00 0.00 176.35 175.59 2k50 n ASP 106 N -1.19 0.00 -4.13 2.29 2.03 -1.26 -2.93 116.55 111.35 2k50 n ASP 106 Ca -0.02 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 54.92 2k50 n ASP 106 Cb 0.62 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.97 2k50 n ASP 106 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2k50 n PRO 107 N 0.00 1.75 -1.49 -0.67 -0.04 -1.26 -4.93 135.00 128.36 2k50 n PRO 107 Ca 0.00 -2.28 -0.47 0.00 -0.04 0.00 0.00 63.50 60.71 2k50 n PRO 107 Cb 0.00 -3.34 -0.06 0.00 -0.04 0.00 0.00 33.50 30.05 2k50 n PRO 107 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2k50 n LEU 108 N 10.58 2.22 -0.06 1.53 -0.00 -1.26 -4.86 117.00 125.15 2k50 n LEU 108 Ca 0.48 0.25 -0.04 0.00 -0.00 0.00 0.00 56.01 56.69 2k50 n LEU 108 Cb 0.44 -1.33 -0.01 0.00 -0.00 0.00 0.00 43.42 42.51 2k50 n LEU 108 CO 0.85 -0.83 -0.29 -0.62 -0.00 0.00 0.00 177.39 176.50 2k50 n GLU 109 N 8.42 0.38 0.00 1.96 1.02 -1.24 -5.09 120.64 126.08 2k50 n GLU 109 Ca 0.40 0.49 0.15 0.00 -0.02 0.00 0.00 57.16 58.18 2k50 n GLU 109 Cb 0.29 -1.55 0.66 0.00 -0.02 0.00 0.00 31.44 30.82 2k50 n GLU 109 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03