#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 3.59 0.29 0.03 1.02 -1.26 -5.05 119.74 118.35 2k50 s LYS 2 Ca 0.00 -0.26 -0.29 0.00 0.02 0.00 0.00 55.97 55.44 2k50 s LYS 2 Cb 0.00 -3.81 -0.13 0.00 -0.52 0.00 0.00 37.83 33.37 2k50 s LYS 2 CO 0.00 -0.61 1.26 -2.30 -0.92 0.00 0.00 175.35 172.78 2k50 n PRO 3 N 5.62 1.88 -1.39 -1.68 -0.02 -1.26 -4.84 135.00 133.33 2k50 n PRO 3 Ca -0.06 0.66 -0.39 0.00 -2.02 0.00 0.00 63.50 61.69 2k50 n PRO 3 Cb 0.49 -2.22 -0.02 0.00 -0.02 0.00 0.00 33.50 31.73 2k50 n PRO 3 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2k50 n GLU 4 N 1.13 2.63 -3.65 -0.52 1.02 -1.26 -4.75 120.64 115.24 2k50 n GLU 4 Ca 0.08 -2.20 -0.02 0.00 -0.02 0.00 0.00 57.16 55.00 2k50 n GLU 4 Cb 0.33 -3.00 -0.07 0.00 -0.02 0.00 0.00 31.44 28.69 2k50 n GLU 4 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2k50 s HIS 5 N 3.42 -0.44 -0.37 -0.32 -3.43 -1.26 -5.09 115.29 107.80 2k50 s HIS 5 Ca 0.53 0.91 0.12 0.00 -0.80 0.00 0.00 55.06 55.83 2k50 s HIS 5 Cb 0.14 0.29 0.37 0.00 -1.43 0.00 0.00 32.58 31.96 2k50 s HIS 5 CO -0.03 -0.22 0.84 2.89 -2.00 0.00 0.00 174.74 176.22 2k50 n ARG 6 N 3.34 1.01 -2.67 -0.38 0.00 -1.26 -4.92 116.66 111.78 2k50 n ARG 6 Ca -0.17 -3.11 -0.04 0.00 -0.00 0.00 0.00 57.85 54.53 2k50 n ARG 6 Cb 0.57 -1.48 0.09 0.00 -0.00 0.00 0.00 32.46 31.64 2k50 n ARG 6 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.63 177.51 2k50 n MET 7 N 0.20 0.35 -2.41 2.89 0.00 -1.26 -5.00 117.12 111.88 2k50 n MET 7 Ca 0.19 -0.96 -0.27 0.00 0.00 0.00 0.00 57.70 56.66 2k50 n MET 7 Cb 0.70 -0.28 0.03 0.00 0.00 0.00 0.00 33.22 33.67 2k50 n MET 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2k50 s ASP 8 N -0.41 5.65 0.55 6.12 1.11 -1.26 -5.10 116.67 123.33 2k50 s ASP 8 Ca 0.18 0.73 0.08 0.00 0.18 0.00 0.00 52.55 53.72 2k50 s ASP 8 Cb 0.26 -1.75 0.09 0.00 1.07 0.00 0.00 42.92 42.60 2k50 s ASP 8 CO -0.14 -1.02 0.76 1.07 1.18 0.00 0.00 175.17 177.01 2k50 n THR 9 N -2.55 0.00 -0.28 -1.27 5.66 -1.26 -4.55 114.28 110.03 2k50 n THR 9 Ca 0.04 -1.75 -0.01 0.00 -3.05 0.00 0.00 64.05 59.28 2k50 n THR 9 Cb 0.57 -0.59 0.18 0.00 -1.55 0.00 0.00 70.33 68.95 2k50 n THR 9 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 2k50 h ILE 10 N 0.02 1.22 0.00 1.09 2.04 -1.89 -0.64 117.51 119.36 2k50 h ILE 10 Ca -0.26 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.17 2k50 h ILE 10 Cb 1.15 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 2k50 h ILE 10 CO 0.35 0.22 0.00 -1.54 0.00 0.00 0.00 178.15 177.19 2k50 n SER 11 N -4.39 0.00 -0.57 1.72 3.41 -1.25 -1.98 113.62 110.55 2k50 n SER 11 Ca 0.09 0.23 0.08 0.00 -0.26 0.00 0.00 58.87 59.02 2k50 n SER 11 Cb 0.04 -0.34 0.04 0.00 -0.26 0.00 0.00 64.21 63.69 2k50 n SER 11 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2k50 n LYS 12 N -1.34 1.48 -2.41 4.33 4.76 -0.25 -5.00 118.16 119.72 2k50 n LYS 12 Ca 0.04 -1.26 -0.42 0.00 -2.87 0.00 0.00 58.31 53.80 2k50 n LYS 12 Cb 0.09 -1.31 -0.03 0.00 -1.84 0.00 0.00 35.03 31.94 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 -1.64 4.40 -0.02 -0.35 1.43 -0.84 -4.96 118.68 116.70 2k50 s LEU 13 Ca 0.18 2.07 0.07 0.00 -1.03 0.00 0.00 54.13 55.41 2k50 s LEU 13 Cb 0.14 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.75 2k50 s LEU 13 CO 0.28 -0.43 -0.22 -0.70 0.23 0.00 0.00 176.35 175.51 2k50 s GLU 14 N 0.70 1.80 -0.01 1.70 2.12 -1.26 -5.10 118.70 118.64 2k50 s GLU 14 Ca 0.57 -0.79 -0.30 0.00 0.36 0.00 0.00 54.97 54.82 2k50 s GLU 14 Cb -0.30 -1.73 -0.07 0.00 0.26 0.00 0.00 34.13 32.29 2k50 s GLU 14 CO 0.31 0.47 1.82 -1.83 -0.54 0.00 0.00 175.26 175.49 2k50 s GLU 15 N -0.50 4.14 0.00 4.30 -1.05 -1.26 -2.25 118.70 122.08 2k50 s GLU 15 Ca 0.08 2.39 0.00 0.00 -0.15 0.00 0.00 54.97 57.29 2k50 s GLU 15 Cb -0.09 -4.08 0.00 0.00 -0.44 0.00 0.00 34.13 29.52 2k50 s GLU 15 CO -0.01 -0.92 0.00 0.41 0.95 0.00 0.00 175.26 175.69 2k50 n GLY 16 N 4.37 2.78 3.81 -3.83 0.00 1.00 -4.96 105.19 108.35 2k50 n GLY 16 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.47 3.22 -0.44 4.61 0.00 -0.95 -4.83 121.76 120.90 2k50 s ALA 17 Ca 0.00 0.34 -0.18 0.00 0.00 0.00 0.00 51.96 52.12 2k50 s ALA 17 Cb 0.00 -3.04 0.03 0.00 0.00 0.00 0.00 23.12 20.11 2k50 s ALA 17 CO 0.00 0.22 0.50 -2.00 0.00 0.00 0.00 175.76 174.48 2k50 s GLU 18 N -2.52 3.12 -0.01 0.00 2.12 -1.26 -1.82 118.70 118.33 2k50 s GLU 18 Ca 0.53 -0.74 -0.18 0.00 0.36 0.00 0.00 54.97 54.94 2k50 s GLU 18 Cb -0.14 -3.99 0.03 0.00 0.26 0.00 0.00 34.13 30.29 2k50 s GLU 18 CO 0.19 -0.94 0.39 -0.08 -0.54 0.00 0.00 175.26 174.27 2k50 s THR 19 N 2.31 0.05 0.68 -1.70 -1.32 -0.60 -4.94 115.64 110.12 2k50 s THR 19 Ca 0.14 -0.40 -0.13 0.00 -1.21 0.00 0.00 61.69 60.09 2k50 s THR 19 Cb -0.17 -0.74 0.01 0.00 -1.51 0.00 0.00 72.50 70.08 2k50 s THR 19 CO 0.14 -0.22 1.08 -2.16 -2.21 0.00 0.00 174.62 171.25 2k50 s PRO 20 N -1.52 2.80 -0.02 7.08 0.04 -1.26 -3.07 135.00 139.05 2k50 s PRO 20 Ca -0.12 1.21 0.04 0.00 0.04 0.00 0.00 61.00 62.17 2k50 s PRO 20 Cb -0.03 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 2k50 s PRO 20 CO 0.04 -1.23 -0.13 0.14 0.04 0.00 0.00 177.00 175.87 2k50 s VAL 21 N -2.65 1.02 -0.08 -0.36 -7.23 0.18 -4.70 120.40 106.59 2k50 s VAL 21 Ca 0.63 -0.53 0.04 0.00 -1.81 0.00 0.00 61.98 60.31 2k50 s VAL 21 Cb -0.17 -0.87 0.00 0.00 0.56 0.00 0.00 36.38 35.90 2k50 s VAL 21 CO 0.47 0.30 -0.19 -0.89 -0.31 0.00 0.00 175.10 174.47 2k50 s THR 22 N -0.12 1.66 0.16 5.32 2.01 -1.26 -0.02 115.64 123.40 2k50 s THR 22 Ca 0.02 -0.80 -0.24 0.00 0.31 0.00 0.00 61.69 60.97 2k50 s THR 22 Cb -0.07 -1.45 0.07 0.00 0.01 0.00 0.00 72.50 71.06 2k50 s THR 22 CO 0.00 0.47 0.99 -0.83 -0.69 0.00 0.00 174.62 174.57 2k50 s GLY 23 N 0.36 -0.11 -0.22 4.40 0.00 -0.72 -4.52 107.32 106.50 2k50 s GLY 23 Ca -0.14 -0.02 -0.12 0.00 0.00 0.00 0.00 44.72 44.44 2k50 s GLY 23 CO 0.06 0.72 0.22 0.50 0.00 0.00 0.00 173.10 174.60 2k50 s ARG 24 N -2.87 4.13 0.12 2.90 0.52 -1.02 -1.19 118.95 121.53 2k50 s ARG 24 Ca 0.15 -0.11 -0.31 0.00 -0.52 0.00 0.00 55.73 54.94 2k50 s ARG 24 Cb -0.02 -3.51 -0.10 0.00 0.52 0.00 0.00 34.95 31.85 2k50 s ARG 24 CO 0.03 0.09 1.74 0.08 0.02 0.00 0.00 175.30 177.27 2k50 s VAL 25 N 0.95 2.67 -0.02 3.52 1.01 0.14 0.28 120.40 128.95 2k50 s VAL 25 Ca 0.11 0.22 -0.06 0.00 0.00 0.00 0.00 61.98 62.26 2k50 s VAL 25 Cb -0.13 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 2k50 s VAL 25 CO 0.04 0.00 -0.11 0.80 0.00 0.00 0.00 175.10 175.83 2k50 n MET 26 N 5.38 0.17 -4.43 2.72 1.56 -0.43 -2.72 117.12 119.36 2k50 n MET 26 Ca 0.17 0.07 -0.25 0.00 -0.27 0.00 0.00 57.70 57.42 2k50 n MET 26 Cb 0.39 -0.72 -0.17 0.00 2.15 0.00 0.00 33.22 34.87 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 -2.02 1.60 -0.41 2.12 -0.14 -1.02 -4.52 119.74 115.34 2k50 s LYS 27 Ca -0.09 -0.36 -0.10 0.00 -1.36 0.00 0.00 55.97 54.06 2k50 s LYS 27 Cb 0.01 -1.39 0.07 0.00 -1.68 0.00 0.00 37.83 34.84 2k50 s LYS 27 CO 0.14 -0.03 0.25 0.42 -0.76 0.00 0.00 175.35 175.37 2k50 s ILE 28 N 0.86 4.37 0.08 2.17 1.01 -1.26 -0.48 121.20 127.94 2k50 s ILE 28 Ca -0.11 -1.25 -0.31 0.00 0.00 0.00 0.00 60.65 58.99 2k50 s ILE 28 Cb -0.15 -3.61 -0.06 0.00 0.01 0.00 0.00 42.46 38.65 2k50 s ILE 28 CO 0.01 -0.44 1.21 -0.44 0.00 0.00 0.00 174.94 175.28 2k50 s SER 29 N 2.01 7.06 0.56 3.58 0.01 0.84 -4.99 113.70 122.77 2k50 s SER 29 Ca 0.03 2.06 -0.20 0.00 1.31 0.00 0.00 55.95 59.14 2k50 s SER 29 Cb -0.22 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.37 2k50 s SER 29 CO 0.03 -0.47 1.13 -1.54 0.41 0.00 0.00 173.24 172.80 2k50 n SER 30 N 3.81 1.59 -4.69 2.44 3.41 -1.26 -3.18 113.62 115.73 2k50 n SER 30 Ca 0.09 0.90 -0.42 0.00 -0.26 0.00 0.00 58.87 59.17 2k50 n SER 30 Cb 0.46 -1.46 -0.03 0.00 -0.26 0.00 0.00 64.21 62.92 2k50 n SER 30 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2k50 n PRO 31 N -0.92 2.83 -3.35 4.33 -0.04 -1.26 -4.58 135.00 132.00 2k50 n PRO 31 Ca 0.12 1.03 -0.39 0.00 -0.04 0.00 0.00 63.50 64.22 2k50 n PRO 31 Cb 0.45 -2.93 -0.08 0.00 -0.04 0.00 0.00 33.50 30.90 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 2.72 4.10 0.15 0.54 3.52 0.80 -4.85 118.95 125.92 2k50 s ARG 32 Ca 0.82 0.18 -0.17 0.00 -0.13 0.00 0.00 55.73 56.42 2k50 s ARG 32 Cb -0.47 -3.60 -0.07 0.00 -1.56 0.00 0.00 34.95 29.24 2k50 s ARG 32 CO 0.37 -0.19 0.60 0.99 -0.81 0.00 0.00 175.30 176.26 2k50 s THR 33 N 1.80 4.74 0.07 4.11 2.01 -1.26 -0.99 115.64 126.11 2k50 s THR 33 Ca 0.18 1.06 -0.07 0.00 0.31 0.00 0.00 61.69 63.17 2k50 s THR 33 Cb -0.15 -3.82 -0.01 0.00 0.01 0.00 0.00 72.50 68.53 2k50 s THR 33 CO 0.09 0.32 0.14 0.72 -0.69 0.00 0.00 174.62 175.20 2k50 s PHE 34 N -1.38 0.20 -0.56 4.92 -0.12 0.11 -4.97 117.98 116.19 2k50 s PHE 34 Ca 0.37 -0.60 -0.24 0.00 -0.05 0.00 0.00 56.93 56.40 2k50 s PHE 34 Cb -0.17 -0.12 0.04 0.00 -0.63 0.00 0.00 43.02 42.15 2k50 s PHE 34 CO 0.20 -0.48 0.95 0.99 -0.05 0.00 0.00 175.22 176.83 2k50 s THR 35 N -3.51 4.38 0.55 -4.49 2.01 -1.26 -4.16 115.64 109.16 2k50 s THR 35 Ca 0.02 0.26 0.05 0.00 0.31 0.00 0.00 61.69 62.33 2k50 s THR 35 Cb 0.04 -4.55 0.06 0.00 0.01 0.00 0.00 72.50 68.06 2k50 s THR 35 CO -0.09 -1.13 0.75 0.28 -0.69 0.00 0.00 174.62 173.74 2k50 s THR 36 N 3.97 2.54 -2.83 -0.82 -1.32 -1.26 -5.02 115.64 110.89 2k50 s THR 36 Ca 0.30 -0.84 0.25 0.00 -1.21 0.00 0.00 61.69 60.19 2k50 s THR 36 Cb -0.13 -2.70 0.30 0.00 -1.51 0.00 0.00 72.50 68.46 2k50 s THR 36 CO 0.19 0.00 1.39 -1.14 -2.21 0.00 0.00 174.62 172.85 2k50 n ARG 37 N -2.25 2.17 -0.41 7.08 0.63 -1.26 -4.36 116.66 118.26 2k50 n ARG 37 Ca 0.11 -1.71 0.07 0.00 -0.92 0.00 0.00 57.85 55.41 2k50 n ARG 37 Cb 0.60 -1.47 0.26 0.00 0.45 0.00 0.00 32.46 32.30 2k50 n ARG 37 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2k50 n LYS 38 N 1.06 2.81 0.00 -0.14 5.02 -1.26 -4.94 118.16 120.70 2k50 n LYS 38 Ca 0.16 -2.07 0.00 0.00 -2.02 0.00 0.00 58.31 54.37 2k50 n LYS 38 Cb 0.54 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 2k50 n LYS 38 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k50 n GLY 39 N 1.05 2.62 3.90 0.72 0.00 -1.26 -4.98 105.19 107.24 2k50 n GLY 39 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.01 3.45 0.33 1.61 0.52 -1.26 -4.97 118.95 118.62 2k50 s ARG 40 Ca 0.00 0.32 0.11 0.00 -0.52 0.00 0.00 55.73 55.64 2k50 s ARG 40 Cb 0.00 -2.27 0.93 0.00 0.52 0.00 0.00 34.95 34.13 2k50 s ARG 40 CO 0.00 -0.39 1.73 1.05 0.02 0.00 0.00 175.30 177.71 2k50 h GLU 41 N 0.00 0.53 -2.50 3.54 4.11 -1.93 -3.41 114.58 114.92 2k50 h GLU 41 Ca -0.46 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.94 2k50 h GLU 41 Cb 1.21 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2k50 h GLU 41 CO 0.62 0.35 -0.19 0.41 0.07 0.00 0.00 179.01 180.27 2k50 n GLY 42 N -1.34 -3.40 3.18 1.06 0.00 -1.26 -4.13 105.19 99.30 2k50 n GLY 42 Ca 0.27 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.76 0.57 -0.02 1.61 1.02 -1.26 -0.71 119.74 119.19 2k50 s LYS 43 Ca 0.00 -0.26 -0.00 0.00 0.02 0.00 0.00 55.97 55.73 2k50 s LYS 43 Cb 0.00 0.25 0.03 0.00 -0.52 0.00 0.00 37.83 37.59 2k50 s LYS 43 CO 0.00 -0.15 0.04 -0.48 -0.92 0.00 0.00 175.35 173.84 2k50 s LEU 44 N -1.29 1.04 0.25 3.17 0.05 -0.17 0.42 118.68 122.16 2k50 s LEU 44 Ca -0.13 0.05 0.11 0.00 0.05 0.00 0.00 54.13 54.21 2k50 s LEU 44 Cb -0.06 -0.05 -0.05 0.00 -2.05 0.00 0.00 46.19 43.98 2k50 s LEU 44 CO 0.03 -0.13 -0.18 0.00 -0.55 0.00 0.00 176.35 175.52 2k50 s ALA 45 N 1.10 2.77 -0.22 1.48 0.00 0.91 -0.14 121.76 127.66 2k50 s ALA 45 Ca -0.09 -1.77 -0.00 0.00 0.00 0.00 0.00 51.96 50.10 2k50 s ALA 45 Cb -0.13 -0.37 0.06 0.00 0.00 0.00 0.00 23.12 22.67 2k50 s ALA 45 CO -0.03 0.33 -0.04 -0.80 0.00 0.00 0.00 175.76 175.21 2k50 s ASN 46 N -3.29 3.51 -0.28 0.00 0.01 -1.19 -0.44 114.94 113.27 2k50 s ASN 46 Ca 0.28 -1.02 -0.09 0.00 -0.71 0.00 0.00 52.86 51.31 2k50 s ASN 46 Cb -0.06 -1.04 -0.03 0.00 0.41 0.00 0.00 41.25 40.53 2k50 s ASN 46 CO 0.14 -0.24 0.14 -0.69 -1.51 0.00 0.00 177.10 174.95 2k50 s VAL 47 N 1.51 4.76 -0.53 1.60 1.01 0.35 -0.11 120.40 128.99 2k50 s VAL 47 Ca -0.04 -0.11 -0.20 0.00 0.00 0.00 0.00 61.98 61.63 2k50 s VAL 47 Cb -0.18 -3.30 0.06 0.00 0.00 0.00 0.00 36.38 32.96 2k50 s VAL 47 CO -0.07 0.23 0.71 -0.63 0.00 0.00 0.00 175.10 175.34 2k50 s ILE 48 N 1.67 4.75 -0.11 2.22 -1.09 0.37 -1.01 121.20 128.00 2k50 s ILE 48 Ca 0.06 -0.40 -0.03 0.00 -2.23 0.00 0.00 60.65 58.05 2k50 s ILE 48 Cb -0.16 -4.38 -0.03 0.00 -1.58 0.00 0.00 42.46 36.31 2k50 s ILE 48 CO 0.07 -0.93 0.01 0.27 -1.23 0.00 0.00 174.94 173.14 2k50 s ILE 49 N 2.94 4.39 -0.17 2.92 -4.36 -0.89 -1.32 121.20 124.71 2k50 s ILE 49 Ca 0.18 -0.21 0.01 0.00 -0.26 0.00 0.00 60.65 60.37 2k50 s ILE 49 Cb -0.18 -2.88 0.01 0.00 1.25 0.00 0.00 42.46 40.66 2k50 s ILE 49 CO 0.12 0.56 -0.20 0.00 0.24 0.00 0.00 174.94 175.67 2k50 s ALA 50 N -0.48 2.34 0.39 2.27 0.00 0.14 -0.49 121.76 125.93 2k50 s ALA 50 Ca 0.09 -1.16 0.08 0.00 0.00 0.00 0.00 51.96 50.97 2k50 s ALA 50 Cb -0.12 -1.14 -0.03 0.00 0.00 0.00 0.00 23.12 21.83 2k50 s ALA 50 CO 0.02 -0.21 0.30 0.34 0.00 0.00 0.00 175.76 176.21 2k50 s ASP 51 N 1.09 4.94 0.41 0.00 2.15 0.71 -2.44 116.67 123.53 2k50 s ASP 51 Ca -0.00 -0.76 0.17 0.00 0.43 0.00 0.00 52.55 52.39 2k50 s ASP 51 Cb -0.14 -0.65 1.07 0.00 -0.30 0.00 0.00 42.92 42.90 2k50 s ASP 51 CO -0.07 -0.54 1.85 -0.78 -0.17 0.00 0.00 175.17 175.46 2k50 h ASP 52 N 1.20 0.42 0.09 -0.34 3.58 -2.00 -1.46 116.42 117.91 2k50 h ASP 52 Ca -0.42 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.07 2k50 h ASP 52 Cb 1.26 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.28 2k50 h ASP 52 CO 0.60 0.17 -0.11 0.35 -2.88 0.00 0.00 179.24 177.37 2k50 n THR 53 N -4.52 0.00 0.00 2.25 -2.24 -1.26 -5.02 114.28 103.49 2k50 n THR 53 Ca 0.19 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2k50 n THR 53 Cb 0.69 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 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 1.25 3.35 3.47 3.38 0.00 -0.55 -3.93 105.19 112.17 2k50 n GLY 54 Ca 0.16 -1.54 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.24 2.78 0.21 1.61 -1.05 -1.26 -0.20 118.70 118.55 2k50 s GLU 55 Ca 0.00 -0.66 0.10 0.00 -0.15 0.00 0.00 54.97 54.26 2k50 s GLU 55 Cb 0.00 -2.49 -0.05 0.00 -0.44 0.00 0.00 34.13 31.15 2k50 s GLU 55 CO 0.00 0.53 -0.19 -1.17 0.95 0.00 0.00 175.26 175.38 2k50 s LEU 56 N -0.47 2.51 -0.37 1.83 2.96 0.36 -4.72 118.68 120.78 2k50 s LEU 56 Ca 0.06 -0.95 -0.12 0.00 -0.22 0.00 0.00 54.13 52.90 2k50 s LEU 56 Cb -0.12 -0.94 0.01 0.00 0.50 0.00 0.00 46.19 45.64 2k50 s LEU 56 CO 0.02 -0.01 0.23 -0.60 -1.32 0.00 0.00 176.35 174.67 2k50 s ARG 57 N -3.17 3.08 -0.21 1.98 3.52 -0.85 -2.10 118.95 121.21 2k50 s ARG 57 Ca 0.22 -0.92 -0.14 0.00 -0.13 0.00 0.00 55.73 54.77 2k50 s ARG 57 Cb -0.05 -3.79 -0.04 0.00 -1.56 0.00 0.00 34.95 29.51 2k50 s ARG 57 CO 0.10 -0.62 0.31 0.00 -0.81 0.00 0.00 175.30 174.28 2k50 s ALA 58 N 1.63 3.58 -0.44 6.12 0.00 -0.18 -0.81 121.76 131.67 2k50 s ALA 58 Ca 0.04 -0.65 -0.16 0.00 0.00 0.00 0.00 51.96 51.19 2k50 s ALA 58 Cb -0.18 -2.51 0.04 0.00 0.00 0.00 0.00 23.12 20.46 2k50 s ALA 58 CO 0.08 -0.24 0.38 0.08 0.00 0.00 0.00 175.76 176.06 2k50 s VAL 59 N 1.18 5.19 -0.53 0.00 1.01 0.31 -0.49 120.40 127.06 2k50 s VAL 59 Ca 0.15 -0.68 -0.19 0.00 0.00 0.00 0.00 61.98 61.25 2k50 s VAL 59 Cb -0.14 -4.03 0.07 0.00 0.00 0.00 0.00 36.38 32.27 2k50 s VAL 59 CO 0.06 -0.44 0.64 -0.36 0.00 0.00 0.00 175.10 175.01 2k50 s PHE 60 N 1.84 3.04 0.77 5.22 0.40 0.41 -2.74 117.98 126.92 2k50 s PHE 60 Ca 0.07 -0.63 -0.11 0.00 -0.60 0.00 0.00 56.93 55.66 2k50 s PHE 60 Cb -0.20 -3.64 0.06 0.00 0.51 0.00 0.00 43.02 39.74 2k50 s PHE 60 CO 0.10 -1.09 1.08 -1.58 0.70 0.00 0.00 175.22 174.43 2k50 s TRP 61 N 2.65 2.79 0.39 0.36 0.52 -1.26 -0.06 118.94 124.33 2k50 s TRP 61 Ca 0.14 1.35 0.26 0.00 0.02 0.00 0.00 56.10 57.87 2k50 s TRP 61 Cb -0.20 -3.03 1.38 0.00 -1.15 0.00 0.00 33.47 30.47 2k50 s TRP 61 CO 0.11 -1.70 1.52 -2.37 0.02 0.00 0.00 176.95 174.53 2k50 n THR 62 N -3.42 -0.33 0.16 2.01 5.66 0.17 0.95 114.28 119.48 2k50 n THR 62 Ca 0.08 1.86 0.02 0.00 -3.05 0.00 0.00 64.05 62.96 2k50 n THR 62 Cb 0.54 -3.04 0.26 0.00 -1.55 0.00 0.00 70.33 66.55 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 -3.08 114.58 115.05 2k50 h GLU 63 Ca 0.84 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.54 2k50 h GLU 63 Cb 2.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 31.12 2k50 h GLU 63 CO -0.60 0.49 -0.11 0.09 -1.16 0.00 0.00 179.01 177.73 2k50 n ASN 64 N -3.72 2.26 -0.16 1.42 4.13 0.27 -4.26 115.26 115.20 2k50 n ASN 64 Ca -0.01 -1.68 0.09 0.00 1.68 0.00 0.00 54.58 54.66 2k50 n ASN 64 Cb 0.55 0.09 0.41 0.00 -1.54 0.00 0.00 39.78 39.29 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 3.38 0.96 -0.54 2.41 1.08 -1.21 -0.12 117.51 123.45 2k50 h ILE 65 Ca 0.00 -0.22 0.16 0.00 -0.39 0.00 0.00 64.86 64.41 2k50 h ILE 65 Cb 0.78 0.27 -0.02 0.00 -3.07 0.00 0.00 36.82 34.78 2k50 h ILE 65 CO 0.00 0.12 0.46 0.07 -0.69 0.00 0.00 178.15 178.10 2k50 h LYS 66 N 0.63 0.00 0.00 2.37 2.10 -1.79 -1.15 116.57 118.73 2k50 h LYS 66 Ca 0.32 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.85 2k50 h LYS 66 Cb 0.41 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.72 2k50 h LYS 66 CO -0.11 0.00 -0.57 -0.07 -2.00 0.00 0.00 179.45 176.70 2k50 h LEU 67 N 0.00 0.00 -2.17 7.07 3.38 -1.31 -3.26 115.31 119.01 2k50 h LEU 67 Ca 0.26 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.26 2k50 h LEU 67 Cb 1.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 2k50 h LEU 67 CO -0.00 0.57 0.08 -0.07 0.09 0.00 0.00 178.44 179.11 2k50 h LEU 68 N 0.00 0.00 -0.23 1.67 3.38 -1.29 -0.38 115.31 118.46 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 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2k50 h LEU 68 CO 0.07 0.00 -0.24 2.29 0.09 0.00 0.00 178.44 180.66 2k50 n LYS 69 N -4.20 0.48 0.23 1.13 2.85 -1.23 -3.70 118.16 113.72 2k50 n LYS 69 Ca -0.01 -0.23 0.14 0.00 -1.05 0.00 0.00 58.31 57.17 2k50 n LYS 69 Cb 0.19 -1.50 0.40 0.00 -0.65 0.00 0.00 35.03 33.48 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 0.55 0.00 -4.82 -1.58 1.57 -1.23 -3.46 116.57 107.61 2k50 h LYS 70 Ca 0.00 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.39 2k50 h LYS 70 Cb 0.45 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.62 2k50 h LYS 70 CO 0.00 0.00 -0.55 -0.59 -0.57 0.00 0.00 179.45 177.74 2k50 s PHE 71 N -3.37 1.54 0.42 -1.35 -0.71 -1.24 -4.92 117.98 108.35 2k50 s PHE 71 Ca 0.05 -1.47 0.06 0.00 -1.04 0.00 0.00 56.93 54.53 2k50 s PHE 71 Cb 0.07 -0.74 -0.07 0.00 -1.21 0.00 0.00 43.02 41.08 2k50 s PHE 71 CO 0.60 -0.66 0.01 1.03 -1.34 0.00 0.00 175.22 174.86 2k50 s ARG 72 N -3.79 1.98 -1.10 1.99 0.52 -1.26 -4.96 118.95 112.33 2k50 s ARG 72 Ca 0.38 -2.15 -0.22 0.00 -0.52 0.00 0.00 55.73 53.22 2k50 s ARG 72 Cb 0.05 -1.55 0.03 0.00 0.52 0.00 0.00 34.95 33.99 2k50 s ARG 72 CO 0.19 -0.13 1.66 -2.00 0.02 0.00 0.00 175.30 175.05 2k50 s GLU 73 N -3.75 3.44 0.00 3.54 2.12 -1.26 -3.11 118.70 119.68 2k50 s GLU 73 Ca 0.29 -1.27 0.00 0.00 0.36 0.00 0.00 54.97 54.36 2k50 s GLU 73 Cb 0.08 -5.36 0.00 0.00 0.26 0.00 0.00 34.13 29.11 2k50 s GLU 73 CO 0.15 -2.58 0.00 0.41 -0.54 0.00 0.00 175.26 172.70 2k50 n GLY 74 N 6.33 0.43 3.91 -1.50 0.00 -1.10 -4.91 105.19 108.35 2k50 n GLY 74 Ca 0.40 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.14 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 4.26 -0.19 1.61 1.01 -1.18 -4.57 116.67 117.61 2k50 s ASP 75 Ca 0.00 0.59 -0.12 0.00 0.71 0.00 0.00 52.55 53.73 2k50 s ASP 75 Cb 0.00 -1.01 -0.05 0.00 1.01 0.00 0.00 42.92 42.87 2k50 s ASP 75 CO 0.00 -2.03 0.23 -0.69 0.21 0.00 0.00 175.17 172.90 2k50 s VAL 76 N -3.58 5.33 0.13 -1.27 1.01 -1.26 0.25 120.40 121.01 2k50 s VAL 76 Ca 0.64 0.39 0.05 0.00 0.00 0.00 0.00 61.98 63.07 2k50 s VAL 76 Cb -0.09 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 2k50 s VAL 76 CO 0.49 0.38 -0.13 0.27 0.00 0.00 0.00 175.10 176.11 2k50 s ILE 77 N 0.65 1.28 -0.26 2.22 -4.36 -0.34 -0.24 121.20 120.16 2k50 s ILE 77 Ca 0.13 -1.84 0.02 0.00 -0.26 0.00 0.00 60.65 58.70 2k50 s ILE 77 Cb -0.13 -1.64 0.06 0.00 1.25 0.00 0.00 42.46 42.00 2k50 s ILE 77 CO 0.03 -0.53 -0.10 -0.60 0.24 0.00 0.00 174.94 173.97 2k50 s ARG 78 N -3.04 2.33 -0.54 0.37 3.52 0.40 -1.76 118.95 120.24 2k50 s ARG 78 Ca 0.12 -1.29 -0.22 0.00 -0.13 0.00 0.00 55.73 54.20 2k50 s ARG 78 Cb -0.02 -2.90 0.05 0.00 -1.56 0.00 0.00 34.95 30.51 2k50 s ARG 78 CO 0.02 -0.55 0.81 0.42 -0.81 0.00 0.00 175.30 175.20 2k50 s ILE 79 N 1.14 4.59 -0.10 4.11 1.01 0.98 -1.17 121.20 131.75 2k50 s ILE 79 Ca -0.07 -0.07 -0.12 0.00 0.00 0.00 0.00 60.65 60.38 2k50 s ILE 79 Cb -0.19 -4.44 -0.05 0.00 0.01 0.00 0.00 42.46 37.78 2k50 s ILE 79 CO -0.05 -1.00 0.29 -0.75 0.00 0.00 0.00 174.94 173.43 2k50 s LYS 80 N 3.40 3.96 -0.31 2.79 2.20 -1.00 -0.65 119.74 130.12 2k50 s LYS 80 Ca 0.24 0.14 -0.08 0.00 -0.36 0.00 0.00 55.97 55.90 2k50 s LYS 80 Cb -0.16 -3.31 0.01 0.00 -1.51 0.00 0.00 37.83 32.87 2k50 s LYS 80 CO 0.16 0.50 0.31 -0.25 -0.36 0.00 0.00 175.35 175.71 2k50 n ASP 81 N 2.66 -6.83 -3.92 1.43 8.00 -1.26 -4.01 116.55 112.61 2k50 n ASP 81 Ca -0.14 0.70 -0.15 0.00 0.71 0.00 0.00 54.79 55.90 2k50 n ASP 81 Cb 0.53 -4.54 -0.09 0.00 -0.02 0.00 0.00 41.12 37.00 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 -1.95 0.03 -0.23 2.53 -7.23 -1.17 -4.52 120.40 107.86 2k50 s VAL 82 Ca 0.13 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.24 2k50 s VAL 82 Cb -0.04 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.38 2k50 s VAL 82 CO 0.63 0.00 0.03 0.20 -0.31 0.00 0.00 175.10 175.64 2k50 s ASN 83 N -3.24 4.85 -0.50 4.85 0.02 -0.42 -1.56 114.94 118.94 2k50 s ASN 83 Ca 0.39 -0.26 -0.28 0.00 -1.02 0.00 0.00 52.86 51.70 2k50 s ASN 83 Cb 0.05 -1.86 0.03 0.00 0.02 0.00 0.00 41.25 39.50 2k50 s ASN 83 CO 0.17 -0.02 1.10 -0.63 0.02 0.00 0.00 177.10 177.75 2k50 s ILE 84 N 1.49 4.23 -0.08 0.60 -1.09 -0.75 -0.48 121.20 125.11 2k50 s ILE 84 Ca 0.06 1.03 -0.27 0.00 -2.23 0.00 0.00 60.65 59.23 2k50 s ILE 84 Cb -0.15 -4.59 -0.24 0.00 -1.58 0.00 0.00 42.46 35.90 2k50 s ILE 84 CO 0.01 -1.05 0.99 0.03 -1.23 0.00 0.00 174.94 173.69 2k50 h ARG 85 N 9.27 0.05 -5.52 2.79 2.47 -1.47 0.28 114.38 122.25 2k50 h ARG 85 Ca -0.24 -0.05 -0.16 0.00 -1.26 0.00 0.00 59.98 58.27 2k50 h ARG 85 Cb 1.06 0.02 0.09 0.00 -1.65 0.00 0.00 29.97 29.49 2k50 h ARG 85 CO 1.12 0.83 -0.47 0.41 0.56 0.00 0.00 179.97 182.42 2k50 n GLY 86 N 1.06 -1.20 0.07 0.04 0.00 -1.22 -3.95 105.19 100.00 2k50 n GLY 86 Ca -0.10 0.52 -0.08 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.53 -0.57 3.72 -0.02 0.00 -1.26 -4.82 105.19 100.71 2k50 n GLY 87 Ca -0.05 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 2k50 n GLY 87 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k50 s PHE 88 N -2.34 3.68 -1.12 1.61 5.36 -1.26 -4.97 117.98 118.94 2k50 s PHE 88 Ca -0.11 1.56 -0.23 0.00 -0.96 0.00 0.00 56.93 57.19 2k50 s PHE 88 Cb 0.05 -2.98 -0.10 0.00 -0.34 0.00 0.00 43.02 39.65 2k50 s PHE 88 CO 0.52 0.10 1.97 0.20 -1.46 0.00 0.00 175.22 176.55 2k50 s GLY 89 N 0.61 0.00 0.00 13.12 0.00 -1.26 -4.21 107.32 115.57 2k50 s GLY 89 Ca 0.45 -1.94 0.00 0.00 0.00 0.00 0.00 44.72 43.23 2k50 s GLY 89 CO 0.25 3.64 0.00 0.61 0.00 0.00 0.00 173.10 177.60 2k50 n GLY 90 N 6.04 0.56 3.57 0.20 0.00 -1.26 -5.01 105.19 109.28 2k50 n GLY 90 Ca 0.44 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 2.86 1.32 1.61 0.52 -1.26 -4.97 118.95 119.02 2k50 s ARG 91 Ca 0.00 -0.77 -0.22 0.00 -0.52 0.00 0.00 55.73 54.22 2k50 s ARG 91 Cb 0.00 -5.20 0.33 0.00 0.52 0.00 0.00 34.95 30.61 2k50 s ARG 91 CO 0.00 -3.19 1.05 0.15 0.02 0.00 0.00 175.30 173.33 2k50 s LYS 92 N 6.29 -2.15 0.07 3.54 1.02 -1.26 -4.67 119.74 122.57 2k50 s LYS 92 Ca 0.64 -0.11 0.05 0.00 0.02 0.00 0.00 55.97 56.57 2k50 s LYS 92 Cb -0.03 -1.49 -0.03 0.00 -0.52 0.00 0.00 37.83 35.76 2k50 s LYS 92 CO 0.01 -4.31 -0.14 -1.83 -0.92 0.00 0.00 175.35 168.16 2k50 s GLU 93 N -5.39 0.81 -0.08 1.68 -1.05 -1.26 -2.00 118.70 111.41 2k50 s GLU 93 Ca 0.71 -0.91 0.05 0.00 -0.15 0.00 0.00 54.97 54.66 2k50 s GLU 93 Cb -0.09 -0.80 -0.00 0.00 -0.44 0.00 0.00 34.13 32.80 2k50 s GLU 93 CO 0.56 0.18 -0.23 0.00 0.95 0.00 0.00 175.26 176.72 2k50 s ALA 94 N -1.22 2.03 -0.14 -0.84 0.00 0.01 -1.19 121.76 120.41 2k50 s ALA 94 Ca -0.02 -0.92 -0.05 0.00 0.00 0.00 0.00 51.96 50.96 2k50 s ALA 94 Cb -0.10 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 2k50 s ALA 94 CO 0.02 0.32 0.04 -1.01 0.00 0.00 0.00 175.76 175.13 2k50 s HIS 95 N 0.15 3.23 0.41 0.00 3.76 0.37 -0.53 115.29 122.69 2k50 s HIS 95 Ca -0.12 0.11 -0.08 0.00 -0.15 0.00 0.00 55.06 54.82 2k50 s HIS 95 Cb -0.16 -1.96 -0.05 0.00 1.11 0.00 0.00 32.58 31.52 2k50 s HIS 95 CO 0.06 0.29 0.74 -0.51 -0.85 0.00 0.00 174.74 174.47 2k50 s LEU 96 N -0.15 3.81 0.26 0.89 1.02 -1.11 -1.30 118.68 122.09 2k50 s LEU 96 Ca 0.06 1.00 0.07 0.00 0.02 0.00 0.00 54.13 55.28 2k50 s LEU 96 Cb -0.12 -3.89 -0.03 0.00 0.02 0.00 0.00 46.19 42.16 2k50 s LEU 96 CO 0.02 -0.42 0.25 -0.04 0.02 0.00 0.00 176.35 176.17 2k50 s MET 97 N -4.08 3.02 0.54 1.70 -1.94 -1.26 -4.76 119.30 112.52 2k50 s MET 97 Ca 0.49 -1.01 0.27 0.00 -1.71 0.00 0.00 55.69 53.72 2k50 s MET 97 Cb -0.10 -2.63 1.45 0.00 2.01 0.00 0.00 34.83 35.55 2k50 s MET 97 CO 0.35 0.36 1.79 -1.00 -0.01 0.00 0.00 175.02 176.51 2k50 h PRO 98 N 1.38 0.00 -0.01 2.03 0.13 -1.99 0.96 132.00 134.50 2k50 h PRO 98 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 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 -0.06 0.54 -0.23 0.00 0.00 178.00 178.85 2k50 n ARG 99 N -2.62 0.96 -2.28 0.86 1.74 -1.26 -4.86 116.66 109.19 2k50 n ARG 99 Ca -0.02 -0.95 -0.41 0.00 -0.77 0.00 0.00 57.85 55.70 2k50 n ARG 99 Cb 0.28 -1.16 -0.03 0.00 -1.02 0.00 0.00 32.46 30.53 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 -1.01 6.99 0.25 0.55 0.01 0.33 -5.04 113.70 115.77 2k50 s SER 100 Ca 0.11 2.37 0.08 0.00 1.31 0.00 0.00 55.95 59.82 2k50 s SER 100 Cb 0.08 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.65 2k50 s SER 100 CO 0.17 -0.43 -0.13 0.42 0.41 0.00 0.00 173.24 173.68 2k50 s THR 101 N -0.26 1.87 -0.06 1.44 -4.23 -1.26 -4.83 115.64 108.32 2k50 s THR 101 Ca 0.53 -2.22 0.06 0.00 -1.18 0.00 0.00 61.69 58.87 2k50 s THR 101 Cb -0.35 -2.23 -0.01 0.00 1.34 0.00 0.00 72.50 71.24 2k50 s THR 101 CO 0.40 -0.46 -0.23 0.68 -0.54 0.00 0.00 174.62 174.47 2k50 s VAL 102 N -2.88 2.28 -0.18 2.29 -7.23 -1.26 -2.38 120.40 111.03 2k50 s VAL 102 Ca 0.26 -0.99 -0.02 0.00 -1.81 0.00 0.00 61.98 59.42 2k50 s VAL 102 Cb -0.00 -1.84 -0.00 0.00 0.56 0.00 0.00 36.38 35.09 2k50 s VAL 102 CO 0.10 0.57 -0.10 -1.83 -0.31 0.00 0.00 175.10 173.53 2k50 s GLU 103 N -0.27 3.30 -0.14 4.82 -1.05 -0.32 -4.96 118.70 120.09 2k50 s GLU 103 Ca -0.00 -0.69 -0.29 0.00 -0.15 0.00 0.00 54.97 53.84 2k50 s GLU 103 Cb -0.13 -2.80 -0.01 0.00 -0.44 0.00 0.00 34.13 30.75 2k50 s GLU 103 CO 0.03 -0.07 1.05 0.14 0.95 0.00 0.00 175.26 177.35 2k50 s VAL 104 N 1.10 4.67 0.00 1.83 -7.23 -1.26 -0.45 120.40 119.06 2k50 s VAL 104 Ca 0.00 1.97 0.00 0.00 -1.81 0.00 0.00 61.98 62.14 2k50 s VAL 104 Cb -0.15 -4.27 0.00 0.00 0.56 0.00 0.00 36.38 32.53 2k50 s VAL 104 CO -0.02 -0.05 0.00 0.18 -0.31 0.00 0.00 175.10 174.89 2k50 n LEU 105 N 5.46 0.00 -0.83 1.32 4.77 0.66 -4.76 117.00 123.63 2k50 n LEU 105 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2k50 n LEU 105 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2k50 n LEU 105 CO 0.53 -0.46 -0.24 -0.67 -1.33 0.00 0.00 177.39 175.22 2k50 n ASP 106 N -2.75 -4.94 0.00 -1.43 2.03 -1.26 -4.68 116.55 103.52 2k50 n ASP 106 Ca 0.00 0.66 0.00 0.00 0.52 0.00 0.00 54.79 55.97 2k50 n ASP 106 Cb 0.00 -2.03 0.00 0.00 -0.72 0.00 0.00 41.12 38.37 2k50 n ASP 106 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 2k50 n PRO 107 N -0.99 0.00 -1.93 -0.67 -0.02 -1.26 -4.70 135.00 125.43 2k50 n PRO 107 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.07 2k50 n PRO 107 Cb 0.01 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.48 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 0.00 4.36 0.30 2.45 1.98 -1.26 -4.90 118.68 121.60 2k50 s LEU 108 Ca 0.00 2.90 0.01 0.00 -2.89 0.00 0.00 54.13 54.15 2k50 s LEU 108 Cb 0.00 -3.67 0.71 0.00 0.66 0.00 0.00 46.19 43.89 2k50 s LEU 108 CO 0.00 -0.74 1.59 1.05 -1.89 0.00 0.00 176.35 176.36 2k50 h GLU 109 N 3.14 0.04 -0.01 1.98 4.11 -1.85 -3.53 114.58 118.45 2k50 h GLU 109 Ca -0.50 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 2k50 h GLU 109 Cb 1.23 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2k50 h GLU 109 CO 0.65 0.03 0.00 0.72 0.07 0.00 0.00 179.01 180.47