#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 0.41 -0.83 3.17 2.47 -1.26 -5.11 119.74 118.60 2k50 s LYS 2 Ca 0.00 -0.32 -0.25 0.00 -1.56 0.00 0.00 55.97 53.83 2k50 s LYS 2 Cb 0.00 0.00 -0.09 0.00 -1.46 0.00 0.00 37.83 36.28 2k50 s LYS 2 CO 0.00 -0.54 2.20 -2.14 0.16 0.00 0.00 175.35 175.03 2k50 s PRO 3 N 1.32 2.04 -0.51 4.03 0.02 -1.26 -4.92 135.00 135.72 2k50 s PRO 3 Ca 0.21 0.18 -0.14 0.00 0.02 0.00 0.00 61.00 61.27 2k50 s PRO 3 Cb 0.06 -4.89 0.12 0.00 0.02 0.00 0.00 34.50 29.81 2k50 s PRO 3 CO -0.10 -3.93 0.44 -1.21 -0.33 0.00 0.00 177.00 171.87 2k50 s GLU 4 N 8.03 2.88 0.29 5.54 0.41 -1.26 -5.04 118.70 129.54 2k50 s GLU 4 Ca 0.82 -1.65 0.02 0.00 -0.41 0.00 0.00 54.97 53.76 2k50 s GLU 4 Cb -0.10 -4.18 -0.05 0.00 -1.78 0.00 0.00 34.13 28.02 2k50 s GLU 4 CO 0.05 -1.24 0.11 -3.38 -0.49 0.00 0.00 175.26 170.31 2k50 s HIS 5 N 1.56 1.62 -1.64 1.61 -3.43 -1.26 -4.78 115.29 108.97 2k50 s HIS 5 Ca 0.04 -1.21 0.00 0.00 -0.80 0.00 0.00 55.06 53.09 2k50 s HIS 5 Cb -0.28 -0.96 0.00 0.00 -1.43 0.00 0.00 32.58 29.91 2k50 s HIS 5 CO 0.03 -0.34 0.00 0.54 -2.00 0.00 0.00 174.74 172.97 2k50 n ARG 6 N -0.55 -1.21 -3.54 -0.38 1.74 -1.26 -4.99 116.66 106.47 2k50 n ARG 6 Ca -0.00 0.99 -0.42 0.00 -0.77 0.00 0.00 57.85 57.65 2k50 n ARG 6 Cb 0.66 -5.26 -0.09 0.00 -1.02 0.00 0.00 32.46 26.74 2k50 n ARG 6 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 2k50 s MET 7 N -3.88 2.76 0.07 5.56 1.75 -1.26 -4.08 119.30 120.22 2k50 s MET 7 Ca 0.00 -1.36 0.01 0.00 -1.25 0.00 0.00 55.69 53.10 2k50 s MET 7 Cb 0.00 -3.88 -0.04 0.00 2.84 0.00 0.00 34.83 33.76 2k50 s MET 7 CO 0.00 -0.93 -0.06 0.16 -0.65 0.00 0.00 175.02 173.54 2k50 s ASP 8 N 2.15 0.91 0.58 1.11 -4.77 -1.26 -5.03 116.67 110.37 2k50 s ASP 8 Ca 0.03 -0.90 0.03 0.00 -3.30 0.00 0.00 52.55 48.42 2k50 s ASP 8 Cb -0.23 0.11 0.06 0.00 -1.09 0.00 0.00 42.92 41.77 2k50 s ASP 8 CO 0.04 -0.44 0.81 -0.89 0.70 0.00 0.00 175.17 175.39 2k50 s THR 9 N -3.16 2.48 0.31 2.11 2.01 -1.26 -4.62 115.64 113.52 2k50 s THR 9 Ca 0.05 -0.75 0.06 0.00 0.31 0.00 0.00 61.69 61.36 2k50 s THR 9 Cb 0.02 -2.74 0.36 0.00 0.01 0.00 0.00 72.50 70.16 2k50 s THR 9 CO -0.05 0.00 1.61 0.40 -0.69 0.00 0.00 174.62 175.89 2k50 h ILE 10 N 0.01 0.14 -0.54 1.82 2.04 -1.88 0.27 117.51 119.36 2k50 h ILE 10 Ca -0.38 -0.03 0.05 0.00 1.00 0.00 0.00 64.86 65.50 2k50 h ILE 10 Cb 1.28 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 2k50 h ILE 10 CO 0.46 0.02 0.36 0.28 0.00 0.00 0.00 178.15 179.27 2k50 h SER 11 N 0.10 0.47 0.03 1.72 0.02 -1.92 -2.79 113.55 111.18 2k50 h SER 11 Ca 0.63 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.58 2k50 h SER 11 Cb 1.39 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.82 2k50 h SER 11 CO -0.78 0.32 -0.22 0.29 -1.14 0.00 0.00 176.83 175.30 2k50 n LYS 12 N -4.47 1.52 -1.53 3.45 4.76 0.92 -4.93 118.16 117.88 2k50 n LYS 12 Ca 0.07 -1.15 -0.43 0.00 -2.87 0.00 0.00 58.31 53.93 2k50 n LYS 12 Cb 0.20 -1.48 -0.05 0.00 -1.84 0.00 0.00 35.03 31.87 2k50 n LYS 12 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2k50 n LEU 13 N 0.26 2.38 -4.75 -0.35 4.77 -1.06 -4.93 117.00 113.33 2k50 n LEU 13 Ca 0.13 0.07 -0.40 0.00 -0.03 0.00 0.00 56.01 55.78 2k50 n LEU 13 Cb 0.46 -1.42 -0.05 0.00 -2.33 0.00 0.00 43.42 40.08 2k50 n LEU 13 CO 0.22 -0.96 0.54 -0.70 -1.33 0.00 0.00 177.39 175.16 2k50 s GLU 14 N 7.07 4.60 -0.83 3.23 2.12 -1.26 -4.96 118.70 128.67 2k50 s GLU 14 Ca 1.06 1.22 -0.26 0.00 0.36 0.00 0.00 54.97 57.36 2k50 s GLU 14 Cb -0.54 -3.34 -0.11 0.00 0.26 0.00 0.00 34.13 30.40 2k50 s GLU 14 CO 0.38 0.35 2.28 -1.83 -0.54 0.00 0.00 175.26 175.90 2k50 s GLU 15 N -0.38 1.85 0.00 4.30 -1.05 -1.26 -0.67 118.70 121.49 2k50 s GLU 15 Ca 0.40 0.25 0.00 0.00 -0.15 0.00 0.00 54.97 55.48 2k50 s GLU 15 Cb -0.22 -4.87 0.00 0.00 -0.44 0.00 0.00 34.13 28.60 2k50 s GLU 15 CO 0.26 -4.18 0.00 0.41 0.95 0.00 0.00 175.26 172.70 2k50 n GLY 16 N 6.82 0.23 3.92 -3.83 0.00 0.21 -4.95 105.19 107.59 2k50 n GLY 16 Ca 0.45 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.21 3.49 -0.25 4.61 0.00 0.15 -4.84 121.76 123.71 2k50 s ALA 17 Ca 0.00 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.23 2k50 s ALA 17 Cb 0.00 -2.43 0.06 0.00 0.00 0.00 0.00 23.12 20.75 2k50 s ALA 17 CO 0.00 -0.47 -0.06 -2.00 0.00 0.00 0.00 175.76 173.23 2k50 s GLU 18 N -4.73 1.79 0.00 0.00 2.12 -1.26 -0.93 118.70 115.69 2k50 s GLU 18 Ca 0.49 -1.14 -0.17 0.00 0.36 0.00 0.00 54.97 54.51 2k50 s GLU 18 Cb -0.10 -2.70 0.03 0.00 0.26 0.00 0.00 34.13 31.62 2k50 s GLU 18 CO 0.42 -0.61 0.38 -0.08 -0.54 0.00 0.00 175.26 174.83 2k50 s THR 19 N 1.29 0.05 0.25 -1.70 -1.32 -1.02 -4.71 115.64 108.48 2k50 s THR 19 Ca -0.06 -0.44 -0.30 0.00 -1.21 0.00 0.00 61.69 59.69 2k50 s THR 19 Cb -0.19 -0.78 -0.09 0.00 -1.51 0.00 0.00 72.50 69.93 2k50 s THR 19 CO -0.06 -0.24 1.11 -2.16 -2.21 0.00 0.00 174.62 171.06 2k50 s PRO 20 N -1.72 4.62 -0.05 7.08 0.04 -1.26 -4.18 135.00 139.53 2k50 s PRO 20 Ca -0.10 1.80 0.05 0.00 0.04 0.00 0.00 61.00 62.79 2k50 s PRO 20 Cb -0.03 -3.21 -0.01 0.00 0.04 0.00 0.00 34.50 31.29 2k50 s PRO 20 CO 0.03 0.16 -0.21 0.14 0.04 0.00 0.00 177.00 177.15 2k50 s VAL 21 N -0.88 1.75 0.12 -0.36 -7.23 0.62 -4.52 120.40 109.90 2k50 s VAL 21 Ca 0.46 -0.90 0.05 0.00 -1.81 0.00 0.00 61.98 59.78 2k50 s VAL 21 Cb -0.32 -1.49 -0.04 0.00 0.56 0.00 0.00 36.38 35.09 2k50 s VAL 21 CO 0.39 0.49 0.05 -0.89 -0.31 0.00 0.00 175.10 174.84 2k50 s THR 22 N -0.05 4.21 0.00 5.32 2.01 -1.26 -0.15 115.64 125.71 2k50 s THR 22 Ca -0.04 -1.02 0.00 0.00 0.31 0.00 0.00 61.69 60.94 2k50 s THR 22 Cb -0.13 -3.06 0.00 0.00 0.01 0.00 0.00 72.50 69.32 2k50 s THR 22 CO 0.03 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.61 2k50 n GLY 23 N 0.23 0.85 3.64 4.40 0.00 -0.47 -4.48 105.19 109.36 2k50 n GLY 23 Ca -0.09 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 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 4.11 -0.13 1.61 0.52 0.19 -1.72 118.95 121.53 2k50 s ARG 24 Ca 0.00 1.07 -0.29 0.00 -0.52 0.00 0.00 55.73 55.99 2k50 s ARG 24 Cb 0.00 -3.70 -0.06 0.00 0.52 0.00 0.00 34.95 31.71 2k50 s ARG 24 CO 0.00 -0.76 1.99 0.08 0.02 0.00 0.00 175.30 176.63 2k50 s VAL 25 N 3.34 3.18 -0.17 3.52 1.01 0.60 -0.70 120.40 131.18 2k50 s VAL 25 Ca 0.42 0.20 -0.15 0.00 0.00 0.00 0.00 61.98 62.45 2k50 s VAL 25 Cb -0.14 -3.19 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 2k50 s VAL 25 CO 0.11 -0.08 -0.29 0.80 0.00 0.00 0.00 175.10 175.64 2k50 n MET 26 N 8.09 0.51 -4.74 2.72 1.56 -0.17 -2.82 117.12 122.27 2k50 n MET 26 Ca 0.24 0.31 -0.24 0.00 -0.27 0.00 0.00 57.70 57.74 2k50 n MET 26 Cb 0.44 -1.52 -0.15 0.00 2.15 0.00 0.00 33.22 34.14 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 -2.69 1.30 -0.32 2.12 -0.14 -1.20 -4.65 119.74 114.15 2k50 s LYS 27 Ca -0.25 -0.60 0.03 0.00 -1.36 0.00 0.00 55.97 53.80 2k50 s LYS 27 Cb 0.04 -1.26 0.09 0.00 -1.68 0.00 0.00 37.83 35.01 2k50 s LYS 27 CO 0.37 0.34 0.02 0.42 -0.76 0.00 0.00 175.35 175.74 2k50 s ILE 28 N -0.42 2.29 -0.31 2.17 1.01 -1.26 -0.87 121.20 123.81 2k50 s ILE 28 Ca 0.06 -2.17 -0.29 0.00 0.00 0.00 0.00 60.65 58.25 2k50 s ILE 28 Cb -0.06 -2.62 -0.01 0.00 0.01 0.00 0.00 42.46 39.78 2k50 s ILE 28 CO -0.00 -0.47 1.47 -0.44 0.00 0.00 0.00 174.94 175.49 2k50 s SER 29 N 0.98 6.43 0.46 3.58 0.01 0.64 -4.97 113.70 120.82 2k50 s SER 29 Ca 0.06 1.23 -0.23 0.00 1.31 0.00 0.00 55.95 58.32 2k50 s SER 29 Cb -0.19 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.41 2k50 s SER 29 CO -0.07 -1.28 1.02 -1.20 0.41 0.00 0.00 173.24 172.12 2k50 n SER 30 N 8.42 1.26 -4.64 2.44 7.64 -1.26 -3.03 113.62 124.45 2k50 n SER 30 Ca 0.17 1.00 -0.50 0.00 1.01 0.00 0.00 58.87 60.55 2k50 n SER 30 Cb 0.47 -1.37 -0.05 0.00 -1.01 0.00 0.00 64.21 62.24 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 -0.07 1.64 -3.38 1.43 -0.04 -1.26 -4.77 135.00 128.55 2k50 n PRO 31 Ca 0.10 0.59 -0.38 0.00 -0.04 0.00 0.00 63.50 63.77 2k50 n PRO 31 Cb 0.41 -2.31 -0.07 0.00 -0.04 0.00 0.00 33.50 31.48 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 1.37 4.18 -0.02 0.54 3.52 0.78 -4.88 118.95 124.44 2k50 s ARG 32 Ca 0.85 0.23 -0.17 0.00 -0.13 0.00 0.00 55.73 56.50 2k50 s ARG 32 Cb -0.83 -3.53 -0.05 0.00 -1.56 0.00 0.00 34.95 28.97 2k50 s ARG 32 CO 0.46 -0.03 0.48 0.99 -0.81 0.00 0.00 175.30 176.39 2k50 s THR 33 N 1.29 4.99 0.04 4.11 2.01 -1.26 -0.99 115.64 125.82 2k50 s THR 33 Ca 0.20 1.00 0.02 0.00 0.31 0.00 0.00 61.69 63.22 2k50 s THR 33 Cb -0.15 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.53 2k50 s THR 33 CO 0.08 0.49 -0.08 0.72 -0.69 0.00 0.00 174.62 175.14 2k50 s PHE 34 N -0.53 0.68 -0.42 4.92 -0.12 0.53 -4.96 117.98 118.08 2k50 s PHE 34 Ca 0.26 -0.46 -0.25 0.00 -0.05 0.00 0.00 56.93 56.43 2k50 s PHE 34 Cb -0.17 -0.41 0.02 0.00 -0.63 0.00 0.00 43.02 41.83 2k50 s PHE 34 CO 0.14 -0.07 0.90 0.99 -0.05 0.00 0.00 175.22 177.14 2k50 s THR 35 N -1.24 4.55 0.49 -4.49 2.01 -1.26 -3.95 115.64 111.74 2k50 s THR 35 Ca -0.08 0.90 0.04 0.00 0.31 0.00 0.00 61.69 62.86 2k50 s THR 35 Cb -0.09 -4.37 0.02 0.00 0.01 0.00 0.00 72.50 68.07 2k50 s THR 35 CO 0.00 -0.68 0.68 0.28 -0.69 0.00 0.00 174.62 174.21 2k50 s THR 36 N 3.57 2.96 -1.08 -0.82 -1.32 -1.26 -5.01 115.64 112.68 2k50 s THR 36 Ca 0.37 -0.77 0.27 0.00 -1.21 0.00 0.00 61.69 60.34 2k50 s THR 36 Cb -0.11 -3.06 0.27 0.00 -1.51 0.00 0.00 72.50 68.09 2k50 s THR 36 CO 0.23 -0.04 1.87 -2.11 -2.21 0.00 0.00 174.62 172.36 2k50 n ARG 37 N -2.13 0.08 -2.97 7.08 1.85 -1.26 -4.81 116.66 114.50 2k50 n ARG 37 Ca 0.07 0.04 -0.22 0.00 -1.00 0.00 0.00 57.85 56.74 2k50 n ARG 37 Cb 0.59 -1.50 0.01 0.00 -1.05 0.00 0.00 32.46 30.52 2k50 n ARG 37 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 2k50 s LYS 38 N -2.92 3.00 0.00 2.89 2.47 -1.26 -4.98 119.74 118.95 2k50 s LYS 38 Ca 0.15 -0.56 0.04 0.00 -1.56 0.00 0.00 55.97 54.04 2k50 s LYS 38 Cb 0.18 -2.57 0.23 0.00 -1.46 0.00 0.00 37.83 34.21 2k50 s LYS 38 CO 0.47 -0.31 0.79 0.41 0.16 0.00 0.00 175.35 176.87 2k50 n GLY 39 N -2.09 -0.60 3.89 5.54 0.00 -1.26 -4.79 105.19 105.88 2k50 n GLY 39 Ca 0.02 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.00 3.67 0.14 1.61 0.52 -1.26 -5.02 118.95 116.60 2k50 s ARG 40 Ca 0.06 0.29 -0.17 0.00 -0.52 0.00 0.00 55.73 55.40 2k50 s ARG 40 Cb 0.03 -2.42 -0.01 0.00 0.52 0.00 0.00 34.95 33.07 2k50 s ARG 40 CO 0.04 -0.06 1.73 1.05 0.02 0.00 0.00 175.30 178.08 2k50 h GLU 41 N 0.92 0.53 -1.80 3.54 4.11 -1.91 -3.41 114.58 116.57 2k50 h GLU 41 Ca -0.47 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 58.89 2k50 h GLU 41 Cb 1.19 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2k50 h GLU 41 CO 0.63 0.45 0.00 0.41 0.07 0.00 0.00 179.01 180.57 2k50 n GLY 42 N -0.94 -2.03 3.23 1.06 0.00 -1.25 -4.38 105.19 100.87 2k50 n GLY 42 Ca -0.00 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.40 0.74 -0.05 1.61 1.02 -1.26 -0.34 119.74 120.06 2k50 s LYS 43 Ca 0.00 -0.44 -0.03 0.00 0.02 0.00 0.00 55.97 55.51 2k50 s LYS 43 Cb 0.00 0.32 0.02 0.00 -0.52 0.00 0.00 37.83 37.65 2k50 s LYS 43 CO 0.00 -0.22 0.11 -0.48 -0.92 0.00 0.00 175.35 173.84 2k50 s LEU 44 N -1.85 1.31 -0.01 3.17 0.05 -0.16 -0.13 118.68 121.06 2k50 s LEU 44 Ca -0.08 0.23 0.04 0.00 0.05 0.00 0.00 54.13 54.37 2k50 s LEU 44 Cb -0.02 0.33 -0.01 0.00 -2.05 0.00 0.00 46.19 44.44 2k50 s LEU 44 CO -0.01 -0.07 -0.14 0.00 -0.55 0.00 0.00 176.35 175.58 2k50 s ALA 45 N 0.44 1.13 -0.37 1.48 0.00 0.80 -0.16 121.76 125.08 2k50 s ALA 45 Ca -0.03 -0.60 -0.11 0.00 0.00 0.00 0.00 51.96 51.22 2k50 s ALA 45 Cb -0.05 -0.28 0.02 0.00 0.00 0.00 0.00 23.12 22.82 2k50 s ALA 45 CO -0.02 0.27 0.21 -0.80 0.00 0.00 0.00 175.76 175.43 2k50 s ASN 46 N -0.37 5.77 -0.24 0.00 0.01 -1.17 -0.54 114.94 118.41 2k50 s ASN 46 Ca 0.05 -0.95 -0.05 0.00 -0.71 0.00 0.00 52.86 51.20 2k50 s ASN 46 Cb -0.05 -2.04 -0.01 0.00 0.41 0.00 0.00 41.25 39.56 2k50 s ASN 46 CO -0.00 -0.38 -0.01 -0.69 -1.51 0.00 0.00 177.10 174.51 2k50 s VAL 47 N 1.57 3.58 -0.38 1.60 1.01 -0.08 -0.26 120.40 127.44 2k50 s VAL 47 Ca 0.03 -0.49 -0.16 0.00 0.00 0.00 0.00 61.98 61.36 2k50 s VAL 47 Cb -0.19 -2.67 0.01 0.00 0.00 0.00 0.00 36.38 33.52 2k50 s VAL 47 CO 0.07 0.36 0.40 -0.63 0.00 0.00 0.00 175.10 175.30 2k50 s ILE 48 N 1.50 5.13 -0.07 2.22 -1.09 -0.05 -0.73 121.20 128.11 2k50 s ILE 48 Ca 0.05 -0.18 0.01 0.00 -2.23 0.00 0.00 60.65 58.31 2k50 s ILE 48 Cb -0.15 -3.94 -0.03 0.00 -1.58 0.00 0.00 42.46 36.76 2k50 s ILE 48 CO -0.01 -0.27 -0.09 0.27 -1.23 0.00 0.00 174.94 173.60 2k50 s ILE 49 N 2.07 3.52 -0.17 2.92 -4.36 -0.86 -0.99 121.20 123.33 2k50 s ILE 49 Ca 0.12 -0.54 0.01 0.00 -0.26 0.00 0.00 60.65 59.97 2k50 s ILE 49 Cb -0.17 -2.43 0.01 0.00 1.25 0.00 0.00 42.46 41.12 2k50 s ILE 49 CO 0.13 0.59 -0.18 0.00 0.24 0.00 0.00 174.94 175.71 2k50 s ALA 50 N -0.66 2.39 0.45 2.27 0.00 0.12 -0.54 121.76 125.78 2k50 s ALA 50 Ca 0.10 -1.14 0.06 0.00 0.00 0.00 0.00 51.96 50.98 2k50 s ALA 50 Cb -0.11 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 2k50 s ALA 50 CO 0.02 -0.18 0.17 0.34 0.00 0.00 0.00 175.76 176.11 2k50 s ASP 51 N 1.05 4.36 0.58 0.00 2.15 0.36 -0.64 116.67 124.53 2k50 s ASP 51 Ca -0.01 -1.21 0.27 0.00 0.43 0.00 0.00 52.55 52.03 2k50 s ASP 51 Cb -0.14 -0.20 1.65 0.00 -0.30 0.00 0.00 42.92 43.93 2k50 s ASP 51 CO -0.06 -0.66 2.15 0.44 -0.17 0.00 0.00 175.17 176.87 2k50 h ASP 52 N 1.34 0.00 -0.62 -0.34 5.19 -2.00 -1.65 116.42 118.34 2k50 h ASP 52 Ca -0.42 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.99 2k50 h ASP 52 Cb 1.27 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.78 2k50 h ASP 52 CO 0.70 0.00 0.00 0.35 -3.12 0.00 0.00 179.24 177.17 2k50 n THR 53 N -3.94 0.83 0.00 0.35 -2.24 -1.26 -5.05 114.28 102.97 2k50 n THR 53 Ca -0.00 -0.84 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 2k50 n THR 53 Cb 0.23 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 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 1.50 2.80 3.84 3.38 0.00 -0.62 -3.39 105.19 112.70 2k50 n GLY 54 Ca 0.21 -2.02 -0.28 0.00 0.00 0.00 0.00 46.02 43.93 2k50 n GLY 54 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k50 s GLU 55 N -2.06 3.09 0.06 1.61 4.04 -1.26 -0.49 118.70 123.69 2k50 s GLU 55 Ca 0.00 -0.71 0.03 0.00 0.04 0.00 0.00 54.97 54.33 2k50 s GLU 55 Cb 0.00 -2.79 -0.03 0.00 0.02 0.00 0.00 34.13 31.33 2k50 s GLU 55 CO 0.00 0.53 -0.08 -1.17 -1.84 0.00 0.00 175.26 172.69 2k50 s LEU 56 N -2.89 2.32 -0.43 1.83 2.96 0.29 -4.80 118.68 117.96 2k50 s LEU 56 Ca 0.32 -0.67 -0.14 0.00 -0.22 0.00 0.00 54.13 53.42 2k50 s LEU 56 Cb -0.11 -0.19 0.05 0.00 0.50 0.00 0.00 46.19 46.43 2k50 s LEU 56 CO 0.25 -0.25 0.32 -0.60 -1.32 0.00 0.00 176.35 174.75 2k50 s ARG 57 N -2.15 2.92 -0.05 1.98 3.52 -1.07 -2.04 118.95 122.06 2k50 s ARG 57 Ca -0.04 -1.19 -0.21 0.00 -0.13 0.00 0.00 55.73 54.16 2k50 s ARG 57 Cb -0.06 -3.99 -0.05 0.00 -1.56 0.00 0.00 34.95 29.29 2k50 s ARG 57 CO -0.00 -0.87 0.60 0.00 -0.81 0.00 0.00 175.30 174.22 2k50 s ALA 58 N 1.63 3.44 -0.41 6.12 0.00 0.10 -1.07 121.76 131.56 2k50 s ALA 58 Ca 0.04 0.01 -0.10 0.00 0.00 0.00 0.00 51.96 51.91 2k50 s ALA 58 Cb -0.21 -2.78 0.06 0.00 0.00 0.00 0.00 23.12 20.18 2k50 s ALA 58 CO 0.08 0.05 0.25 0.08 0.00 0.00 0.00 175.76 176.22 2k50 s VAL 59 N 0.28 4.43 -0.53 0.00 1.01 0.55 -0.90 120.40 125.24 2k50 s VAL 59 Ca 0.32 -1.18 -0.20 0.00 0.00 0.00 0.00 61.98 60.92 2k50 s VAL 59 Cb -0.17 -3.62 0.06 0.00 0.00 0.00 0.00 36.38 32.65 2k50 s VAL 59 CO 0.16 -0.41 0.69 -0.36 0.00 0.00 0.00 175.10 175.18 2k50 s PHE 60 N 1.49 2.99 0.73 5.22 0.40 0.29 -2.40 117.98 126.70 2k50 s PHE 60 Ca 0.02 -0.52 -0.11 0.00 -0.60 0.00 0.00 56.93 55.72 2k50 s PHE 60 Cb -0.22 -3.71 0.03 0.00 0.51 0.00 0.00 43.02 39.63 2k50 s PHE 60 CO 0.04 -1.14 1.08 -1.58 0.70 0.00 0.00 175.22 174.32 2k50 s TRP 61 N 2.88 3.12 0.44 0.36 0.52 -1.26 -0.14 118.94 124.86 2k50 s TRP 61 Ca 0.17 1.22 0.33 0.00 0.02 0.00 0.00 56.10 57.84 2k50 s TRP 61 Cb -0.19 -2.99 1.47 0.00 -1.15 0.00 0.00 33.47 30.61 2k50 s TRP 61 CO 0.12 -1.35 1.52 -2.37 0.02 0.00 0.00 176.95 174.88 2k50 n THR 62 N -3.17 -0.22 0.14 2.01 5.66 0.81 0.10 114.28 119.61 2k50 n THR 62 Ca 0.07 1.72 -0.00 0.00 -3.05 0.00 0.00 64.05 62.79 2k50 n THR 62 Cb 0.55 -2.83 0.18 0.00 -1.55 0.00 0.00 70.33 66.68 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 -1.91 -3.19 114.58 114.94 2k50 h GLU 63 Ca 0.86 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.56 2k50 h GLU 63 Cb 2.85 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 31.50 2k50 h GLU 63 CO -0.41 0.60 -0.24 0.09 -1.16 0.00 0.00 179.01 177.89 2k50 n ASN 64 N -3.73 2.12 -0.00 1.42 4.13 0.28 -4.24 115.26 115.25 2k50 n ASN 64 Ca -0.01 -1.57 0.10 0.00 1.68 0.00 0.00 54.58 54.78 2k50 n ASN 64 Cb 0.62 0.22 0.52 0.00 -1.54 0.00 0.00 39.78 39.59 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 2.96 0.95 0.00 2.41 1.08 -1.25 0.76 117.51 124.42 2k50 h ILE 65 Ca 0.00 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 2k50 h ILE 65 Cb 0.76 0.57 0.00 0.00 -3.07 0.00 0.00 36.82 35.08 2k50 h ILE 65 CO 0.00 0.06 0.00 0.07 -0.69 0.00 0.00 178.15 177.59 2k50 h LYS 66 N 0.35 0.00 0.00 2.37 2.10 -1.79 -1.46 116.57 118.14 2k50 h LYS 66 Ca 0.20 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.72 2k50 h LYS 66 Cb 0.34 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.65 2k50 h LYS 66 CO -0.05 0.00 -1.16 -0.07 -2.00 0.00 0.00 179.45 176.17 2k50 h LEU 67 N 0.00 0.00 -1.92 7.07 3.38 -1.14 -3.37 115.31 119.33 2k50 h LEU 67 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 2k50 h LEU 67 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2k50 h LEU 67 CO 0.00 0.49 0.23 -0.07 0.09 0.00 0.00 178.44 179.17 2k50 h LEU 68 N 0.00 0.08 -0.00 1.67 3.38 -1.29 -0.52 115.31 118.63 2k50 h LEU 68 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2k50 h LEU 68 Cb 1.47 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.20 2k50 h LEU 68 CO 0.04 0.05 -0.01 2.29 0.09 0.00 0.00 178.44 180.91 2k50 n LYS 69 N -4.46 0.12 0.20 1.13 2.85 -1.26 -3.35 118.16 113.40 2k50 n LYS 69 Ca 0.04 -0.00 0.09 0.00 -1.05 0.00 0.00 58.31 57.39 2k50 n LYS 69 Cb 0.34 -1.50 0.33 0.00 -0.65 0.00 0.00 35.03 33.54 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 0.00 -4.85 -1.58 1.57 -1.31 -3.46 116.57 106.95 2k50 h LYS 70 Ca 0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 2k50 h LYS 70 Cb 0.44 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.61 2k50 h LYS 70 CO 0.00 0.26 -0.59 -0.59 -0.57 0.00 0.00 179.45 177.97 2k50 s PHE 71 N -3.43 1.52 0.29 -1.35 -0.71 -1.21 -4.93 117.98 108.16 2k50 s PHE 71 Ca 0.02 -1.30 0.05 0.00 -1.04 0.00 0.00 56.93 54.67 2k50 s PHE 71 Cb 0.09 -0.84 -0.06 0.00 -1.21 0.00 0.00 43.02 41.01 2k50 s PHE 71 CO 0.66 -0.47 -0.01 1.03 -1.34 0.00 0.00 175.22 175.09 2k50 s ARG 72 N -3.95 1.55 -1.10 1.99 0.52 -1.26 -4.93 118.95 111.77 2k50 s ARG 72 Ca 0.37 -1.81 -0.24 0.00 -0.52 0.00 0.00 55.73 53.53 2k50 s ARG 72 Cb 0.06 -1.00 -0.09 0.00 0.52 0.00 0.00 34.95 34.44 2k50 s ARG 72 CO 0.15 -0.05 1.97 -2.00 0.02 0.00 0.00 175.30 175.39 2k50 s GLU 73 N -3.80 2.35 0.00 3.54 2.12 -1.26 -2.18 118.70 119.47 2k50 s GLU 73 Ca 0.31 -0.85 0.00 0.00 0.36 0.00 0.00 54.97 54.80 2k50 s GLU 73 Cb 0.06 -5.16 0.00 0.00 0.26 0.00 0.00 34.13 29.28 2k50 s GLU 73 CO 0.12 -4.01 0.00 0.41 -0.54 0.00 0.00 175.26 171.24 2k50 n GLY 74 N 6.11 0.26 3.92 -1.50 0.00 -1.13 -4.95 105.19 107.90 2k50 n GLY 74 Ca 0.43 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.18 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 4.38 -0.17 1.61 1.01 -0.93 -4.62 116.67 117.96 2k50 s ASP 75 Ca 0.00 0.49 -0.08 0.00 0.71 0.00 0.00 52.55 53.67 2k50 s ASP 75 Cb 0.00 -0.96 -0.04 0.00 1.01 0.00 0.00 42.92 42.92 2k50 s ASP 75 CO 0.00 -1.92 0.11 -0.69 0.21 0.00 0.00 175.17 172.88 2k50 s VAL 76 N -3.47 5.21 0.08 -1.27 1.01 -1.26 -0.29 120.40 120.40 2k50 s VAL 76 Ca 0.64 0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.75 2k50 s VAL 76 Cb -0.09 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 2k50 s VAL 76 CO 0.48 0.50 -0.08 0.27 0.00 0.00 0.00 175.10 176.27 2k50 s ILE 77 N -0.06 0.72 -0.20 2.22 -4.36 -0.70 -0.25 121.20 118.57 2k50 s ILE 77 Ca 0.09 -1.57 0.01 0.00 -0.26 0.00 0.00 60.65 58.92 2k50 s ILE 77 Cb -0.12 -1.24 0.04 0.00 1.25 0.00 0.00 42.46 42.39 2k50 s ILE 77 CO 0.00 -0.62 -0.12 -0.60 0.24 0.00 0.00 174.94 173.84 2k50 s ARG 78 N -2.79 2.22 -0.22 0.37 3.52 0.44 -1.36 118.95 121.12 2k50 s ARG 78 Ca 0.03 -0.86 -0.16 0.00 -0.13 0.00 0.00 55.73 54.61 2k50 s ARG 78 Cb -0.02 -2.44 -0.04 0.00 -1.56 0.00 0.00 34.95 30.89 2k50 s ARG 78 CO -0.02 -0.39 0.43 0.42 -0.81 0.00 0.00 175.30 174.94 2k50 s ILE 79 N 1.36 5.16 0.23 4.11 1.01 0.79 -1.94 121.20 131.91 2k50 s ILE 79 Ca -0.00 0.75 0.10 0.00 0.00 0.00 0.00 60.65 61.49 2k50 s ILE 79 Cb -0.16 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 2k50 s ILE 79 CO -0.09 0.19 -0.09 -0.75 0.00 0.00 0.00 174.94 174.20 2k50 s LYS 80 N 1.68 2.03 -0.50 2.79 2.20 0.01 -0.27 119.74 127.67 2k50 s LYS 80 Ca 0.19 -1.43 -0.03 0.00 -0.36 0.00 0.00 55.97 54.35 2k50 s LYS 80 Cb -0.15 -2.07 0.00 0.00 -1.51 0.00 0.00 37.83 34.10 2k50 s LYS 80 CO 0.09 0.39 0.41 -0.25 -0.36 0.00 0.00 175.35 175.63 2k50 n ASP 81 N -0.38 -3.56 -4.46 1.43 8.00 -1.26 -2.90 116.55 113.42 2k50 n ASP 81 Ca -0.08 -0.19 -0.23 0.00 0.71 0.00 0.00 54.79 55.00 2k50 n ASP 81 Cb 0.57 -2.14 -0.10 0.00 -0.02 0.00 0.00 41.12 39.43 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 -3.08 2.20 -0.08 2.53 -7.23 -1.26 -4.39 120.40 109.09 2k50 s VAL 82 Ca 0.20 -2.30 0.01 0.00 -1.81 0.00 0.00 61.98 58.09 2k50 s VAL 82 Cb -0.09 -2.35 -0.03 0.00 0.56 0.00 0.00 36.38 34.48 2k50 s VAL 82 CO 0.25 -0.38 -0.10 0.20 -0.31 0.00 0.00 175.10 174.76 2k50 s ASN 83 N -3.49 4.35 -0.28 4.85 0.02 -1.10 -2.43 114.94 116.87 2k50 s ASN 83 Ca 0.29 -0.15 -0.18 0.00 -1.02 0.00 0.00 52.86 51.81 2k50 s ASN 83 Cb -0.02 -1.23 -0.02 0.00 0.02 0.00 0.00 41.25 40.00 2k50 s ASN 83 CO 0.13 0.30 0.51 -0.63 0.02 0.00 0.00 177.10 177.44 2k50 s ILE 84 N -0.43 5.06 -0.05 0.60 -1.09 -0.10 -1.42 121.20 123.76 2k50 s ILE 84 Ca 0.06 0.78 -0.01 0.00 -2.23 0.00 0.00 60.65 59.24 2k50 s ILE 84 Cb -0.12 -3.85 -0.00 0.00 -1.58 0.00 0.00 42.46 36.90 2k50 s ILE 84 CO 0.02 0.03 -0.03 0.03 -1.23 0.00 0.00 174.94 173.76 2k50 h ARG 85 N 8.11 0.00 0.00 2.79 2.47 -1.74 0.59 114.38 126.60 2k50 h ARG 85 Ca -0.29 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.43 2k50 h ARG 85 Cb 1.14 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.46 2k50 h ARG 85 CO 0.73 0.00 0.00 0.41 0.56 0.00 0.00 179.97 181.67 2k50 n GLY 86 N 1.83 0.14 0.96 0.04 0.00 -1.26 -3.86 105.19 103.04 2k50 n GLY 86 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2k50 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k50 n GLY 87 N 0.00 -3.06 3.60 -0.02 0.00 -1.26 -3.95 105.19 100.49 2k50 n GLY 87 Ca 0.00 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 2k50 n GLY 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2k50 s PHE 88 N -0.02 1.55 0.00 1.61 -0.71 -1.26 -3.09 117.98 116.05 2k50 s PHE 88 Ca 0.00 0.64 0.00 0.00 -1.04 0.00 0.00 56.93 56.53 2k50 s PHE 88 Cb 0.00 -4.03 0.00 0.00 -1.21 0.00 0.00 43.02 37.78 2k50 s PHE 88 CO 0.00 -3.30 0.00 0.41 -1.34 0.00 0.00 175.22 170.99 2k50 n GLY 89 N 5.58 3.12 0.00 1.99 0.00 -1.26 -4.56 105.19 110.06 2k50 n GLY 89 Ca 0.26 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 0.95 3.55 -0.02 0.00 -1.18 -5.09 105.19 103.40 2k50 n GLY 90 Ca 0.00 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 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 2.75 1.03 1.61 0.52 -1.26 -4.87 118.95 118.73 2k50 s ARG 91 Ca 0.00 0.20 -0.12 0.00 -0.52 0.00 0.00 55.73 55.30 2k50 s ARG 91 Cb 0.00 -4.55 0.20 0.00 0.52 0.00 0.00 34.95 31.12 2k50 s ARG 91 CO 0.00 -2.75 1.02 1.63 0.02 0.00 0.00 175.30 175.22 2k50 n LYS 92 N 9.14 -1.29 -4.75 3.54 5.02 -1.25 -4.21 118.16 124.34 2k50 n LYS 92 Ca 0.22 -0.33 -0.24 0.00 -2.02 0.00 0.00 58.31 55.94 2k50 n LYS 92 Cb 0.50 -2.24 -0.16 0.00 -0.02 0.00 0.00 35.03 33.12 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 -4.45 1.46 -0.30 1.97 -1.05 -1.26 -2.61 118.70 112.47 2k50 s GLU 93 Ca 0.67 -0.56 -0.03 0.00 -0.15 0.00 0.00 54.97 54.89 2k50 s GLU 93 Cb -0.24 -1.34 0.04 0.00 -0.44 0.00 0.00 34.13 32.15 2k50 s GLU 93 CO 0.62 0.28 0.02 0.00 0.95 0.00 0.00 175.26 177.13 2k50 s ALA 94 N -0.16 2.87 -0.24 -0.84 0.00 -0.23 -2.17 121.76 120.99 2k50 s ALA 94 Ca 0.01 -1.66 -0.18 0.00 0.00 0.00 0.00 51.96 50.14 2k50 s ALA 94 Cb -0.09 -1.99 -0.03 0.00 0.00 0.00 0.00 23.12 21.02 2k50 s ALA 94 CO 0.01 -1.15 0.50 -1.01 0.00 0.00 0.00 175.76 174.10 2k50 s HIS 95 N 1.33 3.30 0.30 0.00 3.76 -0.51 -0.33 115.29 123.14 2k50 s HIS 95 Ca -0.02 0.65 -0.17 0.00 -0.15 0.00 0.00 55.06 55.36 2k50 s HIS 95 Cb -0.19 -2.68 -0.09 0.00 1.11 0.00 0.00 32.58 30.73 2k50 s HIS 95 CO -0.00 -0.21 0.76 -0.51 -0.85 0.00 0.00 174.74 173.92 2k50 s LEU 96 N 2.05 4.15 0.28 0.89 1.02 -1.01 -2.72 118.68 123.33 2k50 s LEU 96 Ca 0.21 1.39 0.08 0.00 0.02 0.00 0.00 54.13 55.83 2k50 s LEU 96 Cb -0.15 -3.97 -0.04 0.00 0.02 0.00 0.00 46.19 42.04 2k50 s LEU 96 CO 0.09 -0.14 0.16 -0.04 0.02 0.00 0.00 176.35 176.43 2k50 s MET 97 N -2.66 2.69 0.63 1.70 -1.94 -1.26 -4.64 119.30 113.82 2k50 s MET 97 Ca 0.51 -1.22 0.29 0.00 -1.71 0.00 0.00 55.69 53.56 2k50 s MET 97 Cb -0.12 -2.42 1.55 0.00 2.01 0.00 0.00 34.83 35.85 2k50 s MET 97 CO 0.18 0.32 1.91 -1.00 -0.01 0.00 0.00 175.02 176.43 2k50 h PRO 98 N 1.56 0.00 -0.26 2.03 0.13 -1.96 0.58 132.00 134.08 2k50 h PRO 98 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2k50 h PRO 98 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2k50 h PRO 98 CO 0.60 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.91 2k50 n ARG 99 N -3.28 2.20 -2.44 0.86 1.74 -1.26 -4.92 116.66 109.54 2k50 n ARG 99 Ca 0.02 -2.02 -0.33 0.00 -0.77 0.00 0.00 57.85 54.75 2k50 n ARG 99 Cb 0.50 -1.43 -0.03 0.00 -1.02 0.00 0.00 32.46 30.47 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 -1.44 6.45 0.05 0.55 0.01 0.19 -4.99 113.70 114.51 2k50 s SER 100 Ca 0.31 1.73 0.03 0.00 1.31 0.00 0.00 55.95 59.33 2k50 s SER 100 Cb 0.19 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.86 2k50 s SER 100 CO 0.27 -0.71 -0.09 0.42 0.41 0.00 0.00 173.24 173.54 2k50 s THR 101 N -2.35 0.67 0.09 1.44 -4.23 -1.14 -4.91 115.64 105.22 2k50 s THR 101 Ca 0.62 -1.08 0.09 0.00 -1.18 0.00 0.00 61.69 60.14 2k50 s THR 101 Cb -0.12 -0.70 -0.03 0.00 1.34 0.00 0.00 72.50 72.98 2k50 s THR 101 CO 0.26 -0.31 -0.23 0.68 -0.54 0.00 0.00 174.62 174.48 2k50 s VAL 102 N -1.27 1.87 -0.01 2.29 -7.23 -1.26 -0.81 120.40 113.97 2k50 s VAL 102 Ca -0.07 -1.52 0.02 0.00 -1.81 0.00 0.00 61.98 58.59 2k50 s VAL 102 Cb -0.09 -1.66 -0.00 0.00 0.56 0.00 0.00 36.38 35.18 2k50 s VAL 102 CO 0.01 0.06 -0.05 -1.83 -0.31 0.00 0.00 175.10 172.97 2k50 s GLU 103 N -1.76 0.47 0.06 4.82 -1.05 -0.82 -4.96 118.70 115.47 2k50 s GLU 103 Ca 0.09 -0.17 -0.25 0.00 -0.15 0.00 0.00 54.97 54.48 2k50 s GLU 103 Cb -0.10 -0.47 -0.06 0.00 -0.44 0.00 0.00 34.13 33.07 2k50 s GLU 103 CO 0.04 0.09 0.78 0.14 0.95 0.00 0.00 175.26 177.26 2k50 s VAL 104 N 0.03 4.67 0.35 1.83 -7.23 -1.26 -0.42 120.40 118.37 2k50 s VAL 104 Ca 0.00 1.67 0.06 0.00 -1.81 0.00 0.00 61.98 61.89 2k50 s VAL 104 Cb -0.04 -4.13 -0.03 0.00 0.56 0.00 0.00 36.38 32.74 2k50 s VAL 104 CO -0.00 0.38 0.22 -0.76 -0.31 0.00 0.00 175.10 174.63 2k50 s LEU 105 N -0.19 1.79 -1.06 1.32 1.43 0.65 -4.96 118.68 117.66 2k50 s LEU 105 Ca 0.39 -1.72 -0.05 0.00 -1.03 0.00 0.00 54.13 51.72 2k50 s LEU 105 Cb -0.21 0.34 -0.06 0.00 0.03 0.00 0.00 46.19 46.28 2k50 s LEU 105 CO 0.24 -1.01 0.92 0.47 0.23 0.00 0.00 176.35 177.20 2k50 n ASP 106 N -1.41 -6.13 -1.64 2.29 9.92 -1.26 -4.16 116.55 114.16 2k50 n ASP 106 Ca 0.03 -0.70 0.06 0.00 -0.53 0.00 0.00 54.79 53.66 2k50 n ASP 106 Cb 0.63 -5.18 0.36 0.00 -0.64 0.00 0.00 41.12 36.30 2k50 n ASP 106 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2k50 n PRO 107 N -3.32 4.30 -4.30 -0.24 -0.04 -1.26 -4.90 135.00 125.24 2k50 n PRO 107 Ca -0.09 -3.09 -0.19 0.00 -0.04 0.00 0.00 63.50 60.09 2k50 n PRO 107 Cb 0.62 -2.16 -0.15 0.00 -0.04 0.00 0.00 33.50 31.77 2k50 n PRO 107 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2k50 s LEU 108 N -2.81 1.72 0.01 1.53 1.98 -1.26 -5.08 118.68 114.76 2k50 s LEU 108 Ca 0.52 -0.16 -0.24 0.00 -2.89 0.00 0.00 54.13 51.36 2k50 s LEU 108 Cb 0.40 -0.48 -0.13 0.00 0.66 0.00 0.00 46.19 46.64 2k50 s LEU 108 CO 0.14 0.04 1.03 -0.33 -1.89 0.00 0.00 176.35 175.34 2k50 h GLU 109 N 6.50 -0.83 0.00 1.98 4.39 -2.05 -3.55 114.58 121.02 2k50 h GLU 109 Ca -0.34 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.42 2k50 h GLU 109 Cb 1.17 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 30.01 2k50 h GLU 109 CO 0.49 -0.55 0.00 1.58 -1.16 0.00 0.00 179.01 179.36