#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 4.06 0.46 0.03 -0.14 -1.26 -5.01 119.74 117.89 2k50 s LYS 2 Ca 0.00 1.17 -0.22 0.00 -1.36 0.00 0.00 55.97 55.56 2k50 s LYS 2 Cb 0.00 -3.76 -0.08 0.00 -1.68 0.00 0.00 37.83 32.31 2k50 s LYS 2 CO 0.00 -0.91 1.11 -1.25 -0.76 0.00 0.00 175.35 173.54 2k50 s PRO 3 N 3.71 3.79 -0.20 -1.68 0.04 -1.26 -4.99 135.00 134.42 2k50 s PRO 3 Ca 0.48 1.61 0.02 0.00 0.04 0.00 0.00 61.00 63.16 2k50 s PRO 3 Cb -0.14 -2.32 -0.14 0.00 0.04 0.00 0.00 34.50 31.95 2k50 s PRO 3 CO 0.16 -0.49 -0.17 0.39 0.04 0.00 0.00 177.00 176.93 2k50 n GLU 4 N -0.61 0.54 -3.17 4.56 -0.58 -1.26 -4.99 120.64 115.13 2k50 n GLU 4 Ca 0.08 0.11 0.02 0.00 -0.42 0.00 0.00 57.16 56.96 2k50 n GLU 4 Cb 0.50 -1.41 -0.01 0.00 -0.57 0.00 0.00 31.44 29.94 2k50 n GLU 4 CO 0.00 0.00 0.00 -3.38 -0.48 0.00 0.00 177.13 173.27 2k50 s HIS 5 N -2.41 -1.63 -0.44 -0.32 -3.43 -1.26 -5.02 115.29 100.78 2k50 s HIS 5 Ca -0.27 1.34 0.01 0.00 -0.80 0.00 0.00 55.06 55.34 2k50 s HIS 5 Cb 0.07 0.40 0.45 0.00 -1.43 0.00 0.00 32.58 32.07 2k50 s HIS 5 CO 0.48 -0.96 1.88 -2.13 -2.00 0.00 0.00 174.74 172.01 2k50 n ARG 6 N 5.42 2.17 -0.73 -0.38 0.63 -1.26 -3.91 116.66 118.60 2k50 n ARG 6 Ca 0.01 -2.52 -0.00 0.00 -0.92 0.00 0.00 57.85 54.42 2k50 n ARG 6 Cb 0.52 -1.99 -0.01 0.00 0.45 0.00 0.00 32.46 31.44 2k50 n ARG 6 CO 0.00 0.00 0.00 -0.12 -2.51 0.00 0.00 177.63 175.00 2k50 n MET 7 N -0.64 0.00 -2.50 -0.14 1.56 -1.26 -5.07 117.12 109.07 2k50 n MET 7 Ca 0.49 -0.84 -0.40 0.00 -0.27 0.00 0.00 57.70 56.68 2k50 n MET 7 Cb 1.06 -0.13 -0.03 0.00 2.15 0.00 0.00 33.22 36.26 2k50 n MET 7 CO 0.00 0.00 0.00 0.16 -0.73 0.00 0.00 175.97 175.40 2k50 s ASP 8 N -0.84 6.27 0.96 6.12 -4.77 -1.25 -4.99 116.67 118.17 2k50 s ASP 8 Ca 0.05 -1.09 0.00 0.00 -3.30 0.00 0.00 52.55 48.21 2k50 s ASP 8 Cb 0.06 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.33 2k50 s ASP 8 CO -0.03 -1.72 0.00 1.07 0.70 0.00 0.00 175.17 175.20 2k50 n THR 9 N 6.86 0.00 -0.15 2.11 5.66 -1.26 -4.71 114.28 122.78 2k50 n THR 9 Ca 0.26 0.00 0.28 0.00 -3.05 0.00 0.00 64.05 61.54 2k50 n THR 9 Cb 0.50 -1.65 0.72 0.00 -1.55 0.00 0.00 70.33 68.35 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 -1.14 0.47 -0.88 1.09 2.04 -1.87 0.30 117.51 117.52 2k50 h ILE 10 Ca 0.00 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.99 2k50 h ILE 10 Cb 0.00 0.52 -0.07 0.00 -0.74 0.00 0.00 36.82 36.54 2k50 h ILE 10 CO 0.00 0.00 0.57 -1.28 0.00 0.00 0.00 178.15 177.44 2k50 h SER 11 N 0.00 0.69 -0.21 1.72 0.87 -1.91 -3.20 113.55 111.51 2k50 h SER 11 Ca 0.41 0.03 -0.18 0.00 -1.23 0.00 0.00 61.79 60.82 2k50 h SER 11 Cb 1.73 -0.10 -0.21 0.00 -0.44 0.00 0.00 62.40 63.38 2k50 h SER 11 CO -0.00 0.37 -0.74 0.29 -0.53 0.00 0.00 176.83 176.21 2k50 n LYS 12 N -4.55 1.74 -2.49 2.24 4.76 0.09 -5.01 118.16 114.93 2k50 n LYS 12 Ca 0.17 -3.26 -0.42 0.00 -2.87 0.00 0.00 58.31 51.93 2k50 n LYS 12 Cb 0.42 -1.44 -0.02 0.00 -1.84 0.00 0.00 35.03 32.15 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 -2.72 3.46 -0.01 -0.35 1.43 -1.18 -4.87 118.68 114.44 2k50 s LEU 13 Ca 0.39 0.28 -0.14 0.00 -1.03 0.00 0.00 54.13 53.62 2k50 s LEU 13 Cb 0.38 -3.20 -0.06 0.00 0.03 0.00 0.00 46.19 43.34 2k50 s LEU 13 CO -0.06 -1.54 0.40 -0.70 0.23 0.00 0.00 176.35 174.67 2k50 s GLU 14 N 5.11 3.91 0.18 1.70 2.12 -1.26 -5.04 118.70 125.42 2k50 s GLU 14 Ca 0.49 0.39 -0.32 0.00 0.36 0.00 0.00 54.97 55.89 2k50 s GLU 14 Cb -0.09 -3.23 -0.11 0.00 0.26 0.00 0.00 34.13 30.96 2k50 s GLU 14 CO 0.27 0.68 1.77 -0.85 -0.54 0.00 0.00 175.26 176.59 2k50 n GLU 15 N 1.90 2.80 -0.09 4.30 0.28 -1.26 -1.72 120.64 126.85 2k50 n GLU 15 Ca -0.14 1.01 0.00 0.00 -0.16 0.00 0.00 57.16 57.87 2k50 n GLU 15 Cb 0.52 -2.88 0.00 0.00 1.43 0.00 0.00 31.44 30.51 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 4.09 0.62 3.85 -1.84 0.00 0.62 -5.01 105.19 107.52 2k50 n GLY 16 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.31 3.46 -0.34 4.61 0.00 -0.70 -4.88 121.76 121.60 2k50 s ALA 17 Ca 0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 51.96 51.84 2k50 s ALA 17 Cb 0.00 -2.62 0.05 0.00 0.00 0.00 0.00 23.12 20.55 2k50 s ALA 17 CO 0.00 0.41 0.10 -2.00 0.00 0.00 0.00 175.76 174.27 2k50 s GLU 18 N -2.56 2.50 -0.01 0.00 2.12 -1.26 -1.98 118.70 117.51 2k50 s GLU 18 Ca 0.47 -1.29 -0.19 0.00 0.36 0.00 0.00 54.97 54.32 2k50 s GLU 18 Cb -0.12 -3.42 0.03 0.00 0.26 0.00 0.00 34.13 30.88 2k50 s GLU 18 CO 0.19 -0.72 0.40 -0.08 -0.54 0.00 0.00 175.26 174.52 2k50 s THR 19 N 1.34 0.05 0.35 -1.70 -1.32 -0.86 -4.91 115.64 108.58 2k50 s THR 19 Ca -0.01 -0.38 -0.28 0.00 -1.21 0.00 0.00 61.69 59.81 2k50 s THR 19 Cb -0.20 -0.75 -0.10 0.00 -1.51 0.00 0.00 72.50 69.94 2k50 s THR 19 CO 0.01 -0.21 1.29 -2.84 -2.21 0.00 0.00 174.62 170.66 2k50 s PRO 20 N -1.51 4.27 0.09 7.08 0.02 -1.26 -3.67 135.00 140.02 2k50 s PRO 20 Ca -0.12 2.17 0.09 0.00 0.02 0.00 0.00 61.00 63.16 2k50 s PRO 20 Cb -0.03 -2.99 -0.03 0.00 0.02 0.00 0.00 34.50 31.46 2k50 s PRO 20 CO 0.04 -0.24 -0.23 0.14 -0.33 0.00 0.00 177.00 176.39 2k50 s VAL 21 N -1.18 1.85 0.05 3.83 -7.23 0.11 -4.84 120.40 113.00 2k50 s VAL 21 Ca 0.51 -1.48 0.07 0.00 -1.81 0.00 0.00 61.98 59.27 2k50 s VAL 21 Cb -0.39 -1.64 -0.03 0.00 0.56 0.00 0.00 36.38 34.88 2k50 s VAL 21 CO 0.51 0.09 -0.19 -0.89 -0.31 0.00 0.00 175.10 174.30 2k50 s THR 22 N -1.00 1.56 -0.21 5.32 2.01 -1.26 0.31 115.64 122.36 2k50 s THR 22 Ca 0.09 -1.21 -0.31 0.00 0.31 0.00 0.00 61.69 60.57 2k50 s THR 22 Cb -0.10 -1.37 0.15 0.00 0.01 0.00 0.00 72.50 71.19 2k50 s THR 22 CO 0.04 0.13 1.18 -0.83 -0.69 0.00 0.00 174.62 174.44 2k50 s GLY 23 N -1.27 -0.15 -0.27 4.40 0.00 -0.43 -4.66 107.32 104.94 2k50 s GLY 23 Ca 0.06 2.17 -0.23 0.00 0.00 0.00 0.00 44.72 46.72 2k50 s GLY 23 CO 0.02 0.90 0.77 0.50 0.00 0.00 0.00 173.10 175.30 2k50 s ARG 24 N -1.49 4.09 -0.19 2.90 0.52 0.50 -1.50 118.95 123.78 2k50 s ARG 24 Ca 0.05 0.74 -0.28 0.00 -0.52 0.00 0.00 55.73 55.72 2k50 s ARG 24 Cb -0.01 -3.67 -0.05 0.00 0.52 0.00 0.00 34.95 31.74 2k50 s ARG 24 CO -0.04 -0.55 2.08 0.08 0.02 0.00 0.00 175.30 176.89 2k50 s VAL 25 N 2.81 3.12 -0.22 3.52 1.01 0.13 -0.60 120.40 130.17 2k50 s VAL 25 Ca 0.32 0.13 -0.17 0.00 0.00 0.00 0.00 61.98 62.26 2k50 s VAL 25 Cb -0.15 -3.14 -0.14 0.00 0.00 0.00 0.00 36.38 32.95 2k50 s VAL 25 CO 0.09 -0.08 -0.09 0.80 0.00 0.00 0.00 175.10 175.83 2k50 n MET 26 N 8.43 0.56 -4.46 2.72 1.56 -0.06 -2.72 117.12 123.16 2k50 n MET 26 Ca 0.26 0.43 -0.21 0.00 -0.27 0.00 0.00 57.70 57.91 2k50 n MET 26 Cb 0.45 -1.62 -0.14 0.00 2.15 0.00 0.00 33.22 34.05 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 -2.45 1.00 -0.17 2.12 -0.14 -0.81 -4.73 119.74 114.56 2k50 s LYS 27 Ca -0.31 -0.66 0.00 0.00 -1.36 0.00 0.00 55.97 53.64 2k50 s LYS 27 Cb 0.08 -1.00 0.04 0.00 -1.68 0.00 0.00 37.83 35.27 2k50 s LYS 27 CO 0.50 0.26 -0.10 0.42 -0.76 0.00 0.00 175.35 175.67 2k50 s ILE 28 N -0.65 1.45 -0.11 2.17 1.01 -1.26 -0.27 121.20 123.54 2k50 s ILE 28 Ca 0.03 -0.77 -0.05 0.00 0.00 0.00 0.00 60.65 59.86 2k50 s ILE 28 Cb -0.07 -1.50 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 2k50 s ILE 28 CO 0.01 0.25 0.08 -0.44 0.00 0.00 0.00 174.94 174.83 2k50 s SER 29 N 1.50 5.88 0.57 3.58 0.01 -0.15 -5.03 113.70 120.06 2k50 s SER 29 Ca 0.01 0.31 -0.20 0.00 1.31 0.00 0.00 55.95 57.39 2k50 s SER 29 Cb -0.15 -1.83 -0.06 0.00 0.21 0.00 0.00 66.02 64.19 2k50 s SER 29 CO -0.09 0.37 1.00 -1.54 0.41 0.00 0.00 173.24 173.40 2k50 n SER 30 N 2.20 0.99 -4.66 2.44 3.41 -1.26 -3.53 113.62 113.21 2k50 n SER 30 Ca -0.19 0.86 -0.42 0.00 -0.26 0.00 0.00 58.87 58.85 2k50 n SER 30 Cb 0.54 -1.40 -0.03 0.00 -0.26 0.00 0.00 64.21 63.07 2k50 n SER 30 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2k50 s PRO 31 N -2.64 4.10 -0.21 4.33 0.04 -1.26 -4.58 135.00 134.78 2k50 s PRO 31 Ca 0.73 2.31 -0.16 0.00 0.04 0.00 0.00 61.00 63.92 2k50 s PRO 31 Cb -0.44 -4.07 -0.04 0.00 0.04 0.00 0.00 34.50 29.99 2k50 s PRO 31 CO 0.49 -0.97 0.40 0.50 0.04 0.00 0.00 177.00 177.46 2k50 s ARG 32 N 4.34 4.16 0.37 4.56 3.52 0.15 -4.82 118.95 131.22 2k50 s ARG 32 Ca 0.80 0.20 -0.18 0.00 -0.13 0.00 0.00 55.73 56.42 2k50 s ARG 32 Cb -0.36 -3.55 -0.10 0.00 -1.56 0.00 0.00 34.95 29.38 2k50 s ARG 32 CO 0.34 -0.07 0.83 0.99 -0.81 0.00 0.00 175.30 176.58 2k50 s THR 33 N 1.42 4.54 0.22 4.11 2.01 -1.26 -1.45 115.64 125.22 2k50 s THR 33 Ca 0.19 1.22 -0.13 0.00 0.31 0.00 0.00 61.69 63.28 2k50 s THR 33 Cb -0.15 -3.62 -0.00 0.00 0.01 0.00 0.00 72.50 68.74 2k50 s THR 33 CO 0.08 -0.22 0.44 0.72 -0.69 0.00 0.00 174.62 174.95 2k50 s PHE 34 N -2.05 0.31 -0.33 4.92 -0.12 0.83 -4.97 117.98 116.57 2k50 s PHE 34 Ca 0.57 -0.67 -0.25 0.00 -0.05 0.00 0.00 56.93 56.54 2k50 s PHE 34 Cb -0.10 0.16 0.01 0.00 -0.63 0.00 0.00 43.02 42.46 2k50 s PHE 34 CO 0.16 -0.93 0.85 0.99 -0.05 0.00 0.00 175.22 176.24 2k50 s THR 35 N -3.99 4.70 0.01 -4.49 2.01 -1.26 -4.14 115.64 108.48 2k50 s THR 35 Ca 0.20 1.20 0.00 0.00 0.31 0.00 0.00 61.69 63.40 2k50 s THR 35 Cb 0.00 -4.23 0.00 0.00 0.01 0.00 0.00 72.50 68.28 2k50 s THR 35 CO 0.06 -0.37 0.01 1.07 -0.69 0.00 0.00 174.62 174.69 2k50 n THR 36 N 5.71 0.00 0.00 -0.82 5.66 -1.26 -5.06 114.28 118.51 2k50 n THR 36 Ca 0.05 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 2k50 n THR 36 Cb 0.48 -0.61 0.00 0.00 -1.55 0.00 0.00 70.33 68.65 2k50 n THR 36 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2k50 n ARG 37 N -0.63 0.00 -3.69 1.09 5.12 -1.26 -4.95 116.66 112.35 2k50 n ARG 37 Ca 0.00 0.68 -0.04 0.00 -1.93 0.00 0.00 57.85 56.56 2k50 n ARG 37 Cb 0.01 -1.40 -0.01 0.00 -1.16 0.00 0.00 32.46 29.89 2k50 n ARG 37 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 2k50 s LYS 38 N -2.60 1.02 0.00 5.56 0.00 -1.26 -5.04 119.74 117.42 2k50 s LYS 38 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 55.97 55.44 2k50 s LYS 38 Cb 0.00 0.37 0.00 0.00 0.00 0.00 0.00 37.83 38.20 2k50 s LYS 38 CO 0.00 -0.46 0.00 0.41 0.00 0.00 0.00 175.35 175.30 2k50 n GLY 39 N -0.42 1.55 3.83 0.59 0.00 -1.26 -4.86 105.19 104.62 2k50 n GLY 39 Ca -0.07 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 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 4.16 0.33 1.61 0.52 -1.26 -4.98 118.95 119.33 2k50 s ARG 40 Ca 0.00 0.82 0.26 0.00 -0.52 0.00 0.00 55.73 56.29 2k50 s ARG 40 Cb 0.00 -2.68 0.96 0.00 0.52 0.00 0.00 34.95 33.75 2k50 s ARG 40 CO 0.00 0.28 1.78 1.05 0.02 0.00 0.00 175.30 178.43 2k50 h GLU 41 N 2.90 0.00 -4.11 3.54 4.11 -1.90 -3.43 114.58 115.70 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 1.19 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 2k50 h GLU 41 CO 0.65 0.00 -0.88 0.41 0.07 0.00 0.00 179.01 179.26 2k50 n GLY 42 N 0.44 -4.81 3.07 1.06 0.00 -1.26 -3.84 105.19 99.85 2k50 n GLY 42 Ca 0.03 0.44 -0.10 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.92 0.56 0.01 1.61 1.02 -1.26 -0.12 119.74 120.63 2k50 s LYS 43 Ca -0.09 -0.98 -0.00 0.00 0.02 0.00 0.00 55.97 54.92 2k50 s LYS 43 Cb 0.01 -0.02 -0.01 0.00 -0.52 0.00 0.00 37.83 37.28 2k50 s LYS 43 CO 0.24 -0.04 -0.01 -0.48 -0.92 0.00 0.00 175.35 174.14 2k50 s LEU 44 N -2.26 2.08 0.11 3.17 0.05 -0.53 0.17 118.68 121.47 2k50 s LEU 44 Ca -0.02 -0.17 0.08 0.00 0.05 0.00 0.00 54.13 54.06 2k50 s LEU 44 Cb -0.01 0.04 -0.04 0.00 -2.05 0.00 0.00 46.19 44.13 2k50 s LEU 44 CO -0.04 -0.10 -0.19 0.00 -0.55 0.00 0.00 176.35 175.47 2k50 s ALA 45 N -0.51 1.71 -0.24 1.48 0.00 0.14 0.34 121.76 124.69 2k50 s ALA 45 Ca -0.06 -1.25 0.02 0.00 0.00 0.00 0.00 51.96 50.67 2k50 s ALA 45 Cb -0.03 -0.20 0.05 0.00 0.00 0.00 0.00 23.12 22.94 2k50 s ALA 45 CO -0.00 0.28 -0.11 -0.80 0.00 0.00 0.00 175.76 175.14 2k50 s ASN 46 N -2.06 4.02 -0.23 0.00 0.01 -1.23 -0.35 114.94 115.09 2k50 s ASN 46 Ca 0.07 -1.19 -0.05 0.00 -0.71 0.00 0.00 52.86 50.98 2k50 s ASN 46 Cb -0.09 -1.41 -0.01 0.00 0.41 0.00 0.00 41.25 40.15 2k50 s ASN 46 CO 0.04 -0.17 -0.00 -0.69 -1.51 0.00 0.00 177.10 174.76 2k50 s VAL 47 N 1.23 3.65 -0.45 1.60 1.01 0.14 -0.98 120.40 126.61 2k50 s VAL 47 Ca -0.06 -0.44 -0.20 0.00 0.00 0.00 0.00 61.98 61.28 2k50 s VAL 47 Cb -0.18 -2.70 0.03 0.00 0.00 0.00 0.00 36.38 33.52 2k50 s VAL 47 CO -0.07 0.37 0.60 -0.63 0.00 0.00 0.00 175.10 175.37 2k50 s ILE 48 N 1.51 4.88 -0.04 2.22 -1.09 0.63 -0.80 121.20 128.52 2k50 s ILE 48 Ca 0.06 -0.08 -0.00 0.00 -2.23 0.00 0.00 60.65 58.39 2k50 s ILE 48 Cb -0.15 -4.19 -0.04 0.00 -1.58 0.00 0.00 42.46 36.51 2k50 s ILE 48 CO -0.01 -0.60 0.02 0.27 -1.23 0.00 0.00 174.94 173.38 2k50 s ILE 49 N 2.66 4.32 -0.08 2.92 -4.36 -0.72 -0.88 121.20 125.07 2k50 s ILE 49 Ca 0.19 -0.43 0.03 0.00 -0.26 0.00 0.00 60.65 60.19 2k50 s ILE 49 Cb -0.15 -2.89 0.01 0.00 1.25 0.00 0.00 42.46 40.67 2k50 s ILE 49 CO 0.17 0.46 -0.18 0.00 0.24 0.00 0.00 174.94 175.63 2k50 s ALA 50 N -1.03 1.70 0.22 2.27 0.00 0.23 -0.67 121.76 124.49 2k50 s ALA 50 Ca 0.18 -0.70 0.06 0.00 0.00 0.00 0.00 51.96 51.50 2k50 s ALA 50 Cb -0.12 -0.67 -0.05 0.00 0.00 0.00 0.00 23.12 22.29 2k50 s ALA 50 CO 0.08 0.22 -0.09 0.34 0.00 0.00 0.00 175.76 176.30 2k50 s ASP 51 N 0.44 2.37 0.47 0.00 2.15 0.70 -0.37 116.67 122.43 2k50 s ASP 51 Ca -0.15 -1.10 0.31 0.00 0.43 0.00 0.00 52.55 52.04 2k50 s ASP 51 Cb -0.16 -0.10 1.70 0.00 -0.30 0.00 0.00 42.92 44.06 2k50 s ASP 51 CO 0.06 -0.30 1.96 0.44 -0.17 0.00 0.00 175.17 177.15 2k50 h ASP 52 N 2.50 0.00 -0.01 -0.34 5.19 -2.01 0.00 116.42 121.76 2k50 h ASP 52 Ca -0.38 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.03 2k50 h ASP 52 Cb 1.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.73 2k50 h ASP 52 CO 0.64 0.00 -0.67 0.35 -3.12 0.00 0.00 179.24 176.44 2k50 n THR 53 N -2.60 0.00 0.00 0.35 -2.24 -1.26 -5.07 114.28 103.46 2k50 n THR 53 Ca -0.02 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2k50 n THR 53 Cb 0.06 1.15 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 1.43 2.76 3.84 3.38 0.00 -0.01 -3.65 105.19 112.93 2k50 n GLY 54 Ca 0.07 -1.31 -0.28 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.08 3.08 -0.02 1.61 2.02 -1.26 -0.22 118.70 121.84 2k50 s GLU 55 Ca 0.00 -0.72 -0.03 0.00 0.02 0.00 0.00 54.97 54.24 2k50 s GLU 55 Cb 0.00 -2.78 0.00 0.00 0.10 0.00 0.00 34.13 31.45 2k50 s GLU 55 CO 0.00 0.53 0.07 -1.17 0.02 0.00 0.00 175.26 174.70 2k50 s LEU 56 N -2.90 1.77 -0.51 1.80 2.96 0.15 -4.49 118.68 117.47 2k50 s LEU 56 Ca 0.32 -0.01 -0.19 0.00 -0.22 0.00 0.00 54.13 54.03 2k50 s LEU 56 Cb -0.11 0.30 0.06 0.00 0.50 0.00 0.00 46.19 46.94 2k50 s LEU 56 CO 0.25 -0.13 0.60 -0.60 -1.32 0.00 0.00 176.35 175.15 2k50 s ARG 57 N -0.43 3.10 -0.22 1.98 3.52 -0.29 -1.75 118.95 124.85 2k50 s ARG 57 Ca -0.05 -0.99 -0.23 0.00 -0.13 0.00 0.00 55.73 54.32 2k50 s ARG 57 Cb -0.03 -4.12 -0.01 0.00 -1.56 0.00 0.00 34.95 29.23 2k50 s ARG 57 CO 0.00 -1.22 0.76 0.00 -0.81 0.00 0.00 175.30 174.03 2k50 s ALA 58 N 2.49 3.60 -0.43 6.12 0.00 0.02 -0.92 121.76 132.64 2k50 s ALA 58 Ca 0.13 -0.18 -0.12 0.00 0.00 0.00 0.00 51.96 51.79 2k50 s ALA 58 Cb -0.20 -3.18 0.06 0.00 0.00 0.00 0.00 23.12 19.80 2k50 s ALA 58 CO 0.11 -0.79 0.30 0.08 0.00 0.00 0.00 175.76 175.45 2k50 s VAL 59 N 2.50 4.75 -0.53 0.00 1.01 0.10 -0.68 120.40 127.54 2k50 s VAL 59 Ca 0.33 -1.09 -0.20 0.00 0.00 0.00 0.00 61.98 61.02 2k50 s VAL 59 Cb -0.16 -3.79 0.07 0.00 0.00 0.00 0.00 36.38 32.49 2k50 s VAL 59 CO 0.09 -0.45 0.69 -0.36 0.00 0.00 0.00 175.10 175.07 2k50 s PHE 60 N 1.55 3.00 0.75 5.22 0.40 0.52 -2.49 117.98 126.94 2k50 s PHE 60 Ca 0.03 -0.57 -0.11 0.00 -0.60 0.00 0.00 56.93 55.69 2k50 s PHE 60 Cb -0.22 -3.72 0.04 0.00 0.51 0.00 0.00 43.02 39.64 2k50 s PHE 60 CO 0.05 -1.14 1.08 -1.58 0.70 0.00 0.00 175.22 174.33 2k50 s TRP 61 N 2.84 2.82 0.47 0.36 0.52 -1.26 0.23 118.94 124.91 2k50 s TRP 61 Ca 0.16 1.41 0.36 0.00 0.02 0.00 0.00 56.10 58.05 2k50 s TRP 61 Cb -0.19 -3.00 1.52 0.00 -1.15 0.00 0.00 33.47 30.65 2k50 s TRP 61 CO 0.11 -1.61 1.61 0.00 0.02 0.00 0.00 176.95 177.08 2k50 h THR 62 N -0.99 0.08 0.00 2.01 1.03 -0.66 0.51 112.91 114.89 2k50 h THR 62 Ca -0.45 -0.01 -0.07 0.00 -0.01 0.00 0.00 66.41 65.87 2k50 h THR 62 Cb 1.23 0.03 -0.01 0.00 -1.07 0.00 0.00 68.15 68.33 2k50 h THR 62 CO 0.55 0.01 -0.32 -0.33 -0.01 0.00 0.00 175.52 175.41 2k50 h GLU 63 N 0.04 0.00 -0.30 0.00 4.39 -1.91 -3.13 114.58 113.67 2k50 h GLU 63 Ca 0.85 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.55 2k50 h GLU 63 Cb 2.90 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 31.55 2k50 h GLU 63 CO -0.33 0.32 0.00 0.09 -1.16 0.00 0.00 179.01 177.94 2k50 n ASN 64 N -3.88 2.93 -0.01 1.42 4.13 0.18 -4.54 115.26 115.49 2k50 n ASN 64 Ca -0.02 -1.86 0.12 0.00 1.68 0.00 0.00 54.58 54.50 2k50 n ASN 64 Cb 0.40 -0.19 0.55 0.00 -1.54 0.00 0.00 39.78 38.99 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 3.10 0.90 0.00 2.41 1.08 -1.42 -0.31 117.51 123.27 2k50 h ILE 65 Ca 0.00 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 2k50 h ILE 65 Cb 0.77 0.59 0.00 0.00 -3.07 0.00 0.00 36.82 35.11 2k50 h ILE 65 CO 0.00 0.05 0.15 0.07 -0.69 0.00 0.00 178.15 177.73 2k50 h LYS 66 N 0.29 0.00 0.00 2.37 2.10 -1.82 -0.17 116.57 119.34 2k50 h LYS 66 Ca 0.22 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.77 2k50 h LYS 66 Cb 0.48 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.80 2k50 h LYS 66 CO -0.05 0.00 -0.64 -0.07 -2.00 0.00 0.00 179.45 176.69 2k50 h LEU 67 N 0.00 0.00 -1.57 7.07 3.38 -1.40 -3.32 115.31 119.47 2k50 h LEU 67 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k50 h LEU 67 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2k50 h LEU 67 CO 0.00 0.44 0.00 -0.07 0.09 0.00 0.00 178.44 178.90 2k50 h LEU 68 N 0.00 0.00 -0.16 1.67 3.38 -1.14 -1.77 115.31 117.29 2k50 h LEU 68 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2k50 h LEU 68 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 2k50 h LEU 68 CO 0.05 0.00 -0.30 2.29 0.09 0.00 0.00 178.44 180.58 2k50 n LYS 69 N -2.63 0.33 0.03 1.13 2.85 -1.25 -4.31 118.16 114.32 2k50 n LYS 69 Ca -0.00 -0.16 -0.02 0.00 -1.05 0.00 0.00 58.31 57.07 2k50 n LYS 69 Cb 0.16 -1.50 -0.01 0.00 -0.65 0.00 0.00 35.03 33.04 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 0.39 -0.15 -6.64 -1.58 1.57 -1.54 -3.47 116.57 105.15 2k50 h LYS 70 Ca 0.00 0.01 -0.49 0.00 -1.87 0.00 0.00 60.65 58.30 2k50 h LYS 70 Cb 0.47 0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.83 2k50 h LYS 70 CO 0.00 -0.10 -0.09 -0.59 -0.57 0.00 0.00 179.45 178.10 2k50 s PHE 71 N -1.97 3.52 0.32 -1.35 -0.71 -1.26 -5.11 117.98 111.42 2k50 s PHE 71 Ca -0.02 0.53 0.08 0.00 -1.04 0.00 0.00 56.93 56.48 2k50 s PHE 71 Cb 0.00 -2.04 -0.04 0.00 -1.21 0.00 0.00 43.02 39.73 2k50 s PHE 71 CO 0.07 0.01 0.18 1.03 -1.34 0.00 0.00 175.22 175.17 2k50 s ARG 72 N -4.33 2.55 -1.08 1.99 0.52 -1.26 -4.97 118.95 112.37 2k50 s ARG 72 Ca 0.43 -1.39 -0.21 0.00 -0.52 0.00 0.00 55.73 54.03 2k50 s ARG 72 Cb -0.10 -2.32 -0.09 0.00 0.52 0.00 0.00 34.95 32.96 2k50 s ARG 72 CO 0.38 0.17 1.92 -1.91 0.02 0.00 0.00 175.30 175.88 2k50 n GLU 73 N -1.20 1.82 0.00 3.54 2.13 -1.26 -2.30 120.64 123.37 2k50 n GLU 73 Ca -0.04 -2.38 0.00 0.00 0.66 0.00 0.00 57.16 55.40 2k50 n GLU 73 Cb 0.60 -3.43 0.00 0.00 0.27 0.00 0.00 31.44 28.88 2k50 n GLU 73 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k50 n GLY 74 N 5.26 0.00 3.29 8.31 0.00 -1.10 -4.93 105.19 116.02 2k50 n GLY 74 Ca 0.47 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.31 2k50 n GLY 74 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k50 n ASP 75 N 0.00 1.36 -4.50 1.61 8.00 -0.97 -4.80 116.55 117.25 2k50 n ASP 75 Ca 0.00 -2.07 -0.33 0.00 0.71 0.00 0.00 54.79 53.09 2k50 n ASP 75 Cb 0.00 -0.48 -0.13 0.00 -0.02 0.00 0.00 41.12 40.49 2k50 n ASP 75 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2k50 s VAL 76 N -2.39 3.24 0.06 2.53 1.01 -1.24 0.18 120.40 123.79 2k50 s VAL 76 Ca 0.54 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.91 2k50 s VAL 76 Cb -0.03 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 2k50 s VAL 76 CO 0.36 0.59 -0.10 0.27 0.00 0.00 0.00 175.10 176.21 2k50 s ILE 77 N -0.65 0.78 -0.23 2.22 -4.36 -0.56 0.01 121.20 118.41 2k50 s ILE 77 Ca 0.10 -1.24 0.02 0.00 -0.26 0.00 0.00 60.65 59.26 2k50 s ILE 77 Cb -0.11 -0.87 0.05 0.00 1.25 0.00 0.00 42.46 42.78 2k50 s ILE 77 CO 0.01 -0.36 -0.09 -0.60 0.24 0.00 0.00 174.94 174.14 2k50 s ARG 78 N -1.83 1.98 -0.16 0.37 3.52 0.68 -1.31 118.95 122.20 2k50 s ARG 78 Ca -0.05 -1.07 -0.23 0.00 -0.13 0.00 0.00 55.73 54.25 2k50 s ARG 78 Cb -0.09 -2.65 -0.02 0.00 -1.56 0.00 0.00 34.95 30.63 2k50 s ARG 78 CO 0.01 -0.53 0.70 0.42 -0.81 0.00 0.00 175.30 175.09 2k50 s ILE 79 N 1.29 4.98 -0.12 4.11 1.01 0.15 -1.90 121.20 130.73 2k50 s ILE 79 Ca -0.05 1.37 -0.08 0.00 0.00 0.00 0.00 60.65 61.89 2k50 s ILE 79 Cb -0.18 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 2k50 s ILE 79 CO -0.07 0.12 0.17 -0.75 0.00 0.00 0.00 174.94 174.41 2k50 s LYS 80 N 1.74 3.59 -0.43 2.79 2.20 -0.17 -0.71 119.74 128.75 2k50 s LYS 80 Ca 0.33 -0.09 -0.08 0.00 -0.36 0.00 0.00 55.97 55.77 2k50 s LYS 80 Cb -0.16 -3.22 0.01 0.00 -1.51 0.00 0.00 37.83 32.94 2k50 s LYS 80 CO 0.12 0.70 0.51 -0.25 -0.36 0.00 0.00 175.35 176.08 2k50 n ASP 81 N 2.18 -6.77 -4.11 1.43 8.00 -1.26 -3.44 116.55 112.57 2k50 n ASP 81 Ca -0.19 0.27 -0.10 0.00 0.71 0.00 0.00 54.79 55.48 2k50 n ASP 81 Cb 0.54 -4.53 -0.10 0.00 -0.02 0.00 0.00 41.12 37.01 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 -2.54 0.47 -0.17 2.53 -7.23 -1.24 -4.36 120.40 107.86 2k50 s VAL 82 Ca 0.13 -1.69 -0.04 0.00 -1.81 0.00 0.00 61.98 58.57 2k50 s VAL 82 Cb -0.04 -1.36 -0.03 0.00 0.56 0.00 0.00 36.38 35.52 2k50 s VAL 82 CO 0.62 -0.81 -0.02 0.20 -0.31 0.00 0.00 175.10 174.77 2k50 s ASN 83 N -2.66 4.81 -0.49 4.85 0.02 -1.11 -2.03 114.94 118.33 2k50 s ASN 83 Ca 0.05 -0.15 -0.29 0.00 -1.02 0.00 0.00 52.86 51.45 2k50 s ASN 83 Cb 0.03 -1.80 0.03 0.00 0.02 0.00 0.00 41.25 39.53 2k50 s ASN 83 CO -0.05 0.13 1.12 -0.63 0.02 0.00 0.00 177.10 177.69 2k50 s ILE 84 N 0.58 4.21 -0.09 0.60 -1.09 -0.84 -2.20 121.20 122.38 2k50 s ILE 84 Ca -0.02 1.13 -0.21 0.00 -2.23 0.00 0.00 60.65 59.32 2k50 s ILE 84 Cb -0.14 -4.60 -0.17 0.00 -1.58 0.00 0.00 42.46 35.96 2k50 s ILE 84 CO 0.02 -1.03 0.73 0.03 -1.23 0.00 0.00 174.94 173.46 2k50 h ARG 85 N 9.25 -0.08 0.00 2.79 2.47 -1.68 0.18 114.38 127.30 2k50 h ARG 85 Ca -0.23 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.49 2k50 h ARG 85 Cb 1.06 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.40 2k50 h ARG 85 CO 1.12 0.48 0.00 0.41 0.56 0.00 0.00 179.97 182.54 2k50 n GLY 86 N 1.11 -0.05 3.79 0.04 0.00 -1.26 -4.52 105.19 104.30 2k50 n GLY 86 Ca -0.07 0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.38 3.66 -0.02 0.00 -1.26 -4.01 105.19 103.17 2k50 n GLY 87 Ca 0.00 0.16 -0.54 0.00 0.00 0.00 0.00 46.02 45.64 2k50 n GLY 87 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2k50 n PHE 88 N -4.48 2.07 0.00 1.61 7.35 -1.26 -2.04 117.46 120.72 2k50 n PHE 88 Ca -0.15 0.32 0.00 0.00 -0.76 0.00 0.00 57.45 56.87 2k50 n PHE 88 Cb 0.61 -2.54 0.00 0.00 0.35 0.00 0.00 39.48 37.90 2k50 n PHE 88 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2k50 n GLY 89 N 4.66 3.41 0.00 7.13 0.00 -1.26 -4.96 105.19 114.17 2k50 n GLY 89 Ca 0.28 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 2.62 3.66 -0.02 0.00 -0.86 -5.11 105.19 105.48 2k50 n GLY 90 Ca 0.00 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.24 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 1.57 4.21 1.44 1.61 0.52 -1.25 -4.97 118.95 122.08 2k50 s ARG 91 Ca 0.00 0.65 -0.24 0.00 -0.52 0.00 0.00 55.73 55.62 2k50 s ARG 91 Cb 0.00 -3.58 0.37 0.00 0.52 0.00 0.00 34.95 32.26 2k50 s ARG 91 CO 0.00 -0.26 0.93 0.15 0.02 0.00 0.00 175.30 176.14 2k50 s LYS 92 N 1.97 -3.07 -0.02 3.54 1.02 -1.26 -4.37 119.74 117.55 2k50 s LYS 92 Ca 0.29 0.09 -0.03 0.00 0.02 0.00 0.00 55.97 56.35 2k50 s LYS 92 Cb -0.16 -1.36 0.00 0.00 -0.52 0.00 0.00 37.83 35.79 2k50 s LYS 92 CO 0.10 -4.96 0.06 -1.83 -0.92 0.00 0.00 175.35 167.81 2k50 s GLU 93 N -5.12 0.15 -0.26 1.68 -1.05 -1.26 -1.13 118.70 111.71 2k50 s GLU 93 Ca 0.69 -0.05 0.00 0.00 -0.15 0.00 0.00 54.97 55.46 2k50 s GLU 93 Cb -0.12 0.06 0.04 0.00 -0.44 0.00 0.00 34.13 33.67 2k50 s GLU 93 CO 0.57 -0.03 -0.08 0.00 0.95 0.00 0.00 175.26 176.68 2k50 s ALA 94 N -0.31 2.64 -0.11 -0.84 0.00 -0.09 -1.75 121.76 121.29 2k50 s ALA 94 Ca -0.04 -1.60 -0.17 0.00 0.00 0.00 0.00 51.96 50.16 2k50 s ALA 94 Cb -0.02 -1.65 -0.05 0.00 0.00 0.00 0.00 23.12 21.40 2k50 s ALA 94 CO 0.00 -0.99 0.42 -1.01 0.00 0.00 0.00 175.76 174.18 2k50 s HIS 95 N 1.23 3.53 0.61 0.00 3.76 -0.93 -0.72 115.29 122.77 2k50 s HIS 95 Ca -0.03 0.82 -0.04 0.00 -0.15 0.00 0.00 55.06 55.66 2k50 s HIS 95 Cb -0.18 -2.46 0.03 0.00 1.11 0.00 0.00 32.58 31.08 2k50 s HIS 95 CO -0.05 0.25 0.90 -0.51 -0.85 0.00 0.00 174.74 174.48 2k50 s LEU 96 N 0.35 3.12 0.24 0.89 1.02 -1.04 -2.75 118.68 120.52 2k50 s LEU 96 Ca 0.23 0.43 0.08 0.00 0.02 0.00 0.00 54.13 54.89 2k50 s LEU 96 Cb -0.15 -3.21 -0.05 0.00 0.02 0.00 0.00 46.19 42.80 2k50 s LEU 96 CO 0.09 -1.24 -0.12 -0.04 0.02 0.00 0.00 176.35 175.05 2k50 s MET 97 N -5.00 1.46 0.61 1.70 -1.94 -1.26 -4.77 119.30 110.10 2k50 s MET 97 Ca 0.56 -1.68 0.28 0.00 -1.71 0.00 0.00 55.69 53.14 2k50 s MET 97 Cb -0.11 -1.24 1.42 0.00 2.01 0.00 0.00 34.83 36.92 2k50 s MET 97 CO 0.43 0.16 1.83 -1.35 -0.01 0.00 0.00 175.02 176.08 2k50 h PRO 98 N 2.42 0.00 -0.19 2.03 0.11 -1.97 0.93 132.00 135.33 2k50 h PRO 98 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2k50 h PRO 98 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2k50 h PRO 98 CO 0.63 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.96 2k50 n ARG 99 N -3.43 2.34 -3.02 1.05 1.74 -1.26 -4.96 116.66 109.12 2k50 n ARG 99 Ca 0.07 -1.98 -0.40 0.00 -0.77 0.00 0.00 57.85 54.76 2k50 n ARG 99 Cb 0.67 -1.48 -0.05 0.00 -1.02 0.00 0.00 32.46 30.58 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 -1.76 7.19 0.13 0.55 0.01 0.32 -4.98 113.70 115.15 2k50 s SER 100 Ca 0.33 1.41 0.07 0.00 1.31 0.00 0.00 55.95 59.07 2k50 s SER 100 Cb 0.21 -2.45 -0.04 0.00 0.21 0.00 0.00 66.02 63.95 2k50 s SER 100 CO 0.31 0.05 -0.15 0.42 0.41 0.00 0.00 173.24 174.27 2k50 s THR 101 N -0.18 1.48 -0.06 1.44 -4.23 -1.22 -4.85 115.64 108.01 2k50 s THR 101 Ca 0.37 -1.77 0.05 0.00 -1.18 0.00 0.00 61.69 59.17 2k50 s THR 101 Cb -0.20 -1.62 -0.01 0.00 1.34 0.00 0.00 72.50 72.01 2k50 s THR 101 CO 0.22 -0.38 -0.23 0.68 -0.54 0.00 0.00 174.62 174.38 2k50 s VAL 102 N -2.08 2.26 -0.07 2.29 -7.23 -1.26 -1.00 120.40 113.32 2k50 s VAL 102 Ca 0.11 -0.99 0.03 0.00 -1.81 0.00 0.00 61.98 59.31 2k50 s VAL 102 Cb -0.05 -1.84 -0.02 0.00 0.56 0.00 0.00 36.38 35.03 2k50 s VAL 102 CO 0.04 0.57 -0.15 -1.83 -0.31 0.00 0.00 175.10 173.42 2k50 s GLU 103 N -0.20 2.67 -0.11 4.82 -1.05 -0.80 -4.97 118.70 119.07 2k50 s GLU 103 Ca -0.02 -0.71 -0.25 0.00 -0.15 0.00 0.00 54.97 53.83 2k50 s GLU 103 Cb -0.13 -2.41 -0.02 0.00 -0.44 0.00 0.00 34.13 31.13 2k50 s GLU 103 CO 0.03 0.52 0.80 0.14 0.95 0.00 0.00 175.26 177.71 2k50 s VAL 104 N -0.47 4.94 0.55 1.83 -7.23 -1.26 -0.23 120.40 118.54 2k50 s VAL 104 Ca 0.06 1.62 0.08 0.00 -1.81 0.00 0.00 61.98 61.93 2k50 s VAL 104 Cb -0.12 -4.13 0.06 0.00 0.56 0.00 0.00 36.38 32.76 2k50 s VAL 104 CO 0.02 0.13 0.64 -0.76 -0.31 0.00 0.00 175.10 174.81 2k50 s LEU 105 N 1.49 3.00 0.00 1.32 1.43 0.10 -3.94 118.68 122.09 2k50 s LEU 105 Ca 0.40 -0.96 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 2k50 s LEU 105 Cb -0.18 -1.55 0.00 0.00 0.03 0.00 0.00 46.19 44.50 2k50 s LEU 105 CO 0.17 -1.21 0.00 -0.67 0.23 0.00 0.00 176.35 174.86 2k50 n ASP 106 N -2.04 0.00 -3.07 2.29 2.03 -1.26 -3.69 116.55 110.81 2k50 n ASP 106 Ca 0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.40 2k50 n ASP 106 Cb 0.62 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.02 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 0.00 2.82 -3.54 -0.67 -0.02 -1.26 -5.13 135.00 127.19 2k50 n PRO 107 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.47 2k50 n PRO 107 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.43 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 -0.68 -0.11 2.45 1.98 -1.26 -5.02 118.68 116.04 2k50 s LEU 108 Ca 0.00 0.99 -0.23 0.00 -2.89 0.00 0.00 54.13 52.00 2k50 s LEU 108 Cb 0.00 1.86 -0.20 0.00 0.66 0.00 0.00 46.19 48.51 2k50 s LEU 108 CO 0.00 -0.15 0.68 -0.33 -1.89 0.00 0.00 176.35 174.66 2k50 h GLU 109 N 7.05 -0.02 0.00 1.98 5.08 -1.98 -3.51 114.58 123.17 2k50 h GLU 109 Ca -0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 2k50 h GLU 109 Cb 1.15 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2k50 h GLU 109 CO 0.13 0.69 0.00 1.58 -1.00 0.00 0.00 179.01 180.41