#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 0.73 -0.02 2.12 2.47 -1.26 -5.12 119.74 118.66 2k50 s LYS 2 Ca 0.00 -0.98 -0.30 0.00 -1.56 0.00 0.00 55.97 53.13 2k50 s LYS 2 Cb 0.00 -0.67 -0.07 0.00 -1.46 0.00 0.00 37.83 35.63 2k50 s LYS 2 CO 0.00 -1.23 1.75 -2.14 0.16 0.00 0.00 175.35 173.89 2k50 s PRO 3 N 1.24 4.17 -1.24 4.03 0.02 -1.26 -4.91 135.00 137.06 2k50 s PRO 3 Ca 0.20 2.33 -0.18 0.00 0.02 0.00 0.00 61.00 63.37 2k50 s PRO 3 Cb -0.11 -4.00 -0.01 0.00 0.02 0.00 0.00 34.50 30.39 2k50 s PRO 3 CO -0.05 -0.87 2.03 -1.91 -0.33 0.00 0.00 177.00 175.87 2k50 n GLU 4 N 7.12 2.49 -2.82 5.54 4.07 -1.26 -4.88 120.64 130.90 2k50 n GLU 4 Ca 0.18 -2.55 -0.43 0.00 -0.06 0.00 0.00 57.16 54.29 2k50 n GLU 4 Cb 0.42 -3.29 -0.01 0.00 -0.06 0.00 0.00 31.44 28.50 2k50 n GLU 4 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 2k50 s HIS 5 N 4.58 3.09 -0.22 4.31 5.65 -1.26 -4.98 115.29 126.45 2k50 s HIS 5 Ca 0.53 -1.56 -0.07 0.00 0.25 0.00 0.00 55.06 54.21 2k50 s HIS 5 Cb 0.11 -4.43 -0.03 0.00 -1.18 0.00 0.00 32.58 27.04 2k50 s HIS 5 CO 0.02 -1.58 0.05 1.03 -0.65 0.00 0.00 174.74 173.60 2k50 s ARG 6 N 2.96 3.70 -0.54 2.88 0.52 -1.26 -5.05 118.95 122.17 2k50 s ARG 6 Ca 0.41 -0.47 0.04 0.00 -0.52 0.00 0.00 55.73 55.19 2k50 s ARG 6 Cb -0.02 -3.24 0.16 0.00 0.52 0.00 0.00 34.95 32.37 2k50 s ARG 6 CO -0.04 -0.05 0.37 -1.64 0.02 0.00 0.00 175.30 173.96 2k50 s MET 7 N 1.21 1.68 0.09 3.54 -1.94 -1.26 -5.11 119.30 117.51 2k50 s MET 7 Ca 0.04 -2.59 0.01 0.00 -1.71 0.00 0.00 55.69 51.45 2k50 s MET 7 Cb -0.14 -2.57 0.01 0.00 2.01 0.00 0.00 34.83 34.14 2k50 s MET 7 CO 0.03 -1.27 0.12 -0.25 -0.01 0.00 0.00 175.02 173.64 2k50 n ASP 8 N 2.72 0.41 -3.01 3.03 8.00 -1.26 -5.07 116.55 121.36 2k50 n ASP 8 Ca 0.18 -1.24 0.00 0.00 0.71 0.00 0.00 54.79 54.44 2k50 n ASP 8 Cb 0.38 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 2k50 n ASP 8 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2k50 n THR 9 N -1.15 0.00 0.27 -3.53 -2.24 -1.26 -4.75 114.28 101.61 2k50 n THR 9 Ca 0.02 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.96 2k50 n THR 9 Cb 0.09 -0.76 0.76 0.00 -2.10 0.00 0.00 70.33 68.33 2k50 n THR 9 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2k50 h ILE 10 N -0.00 0.10 -0.49 2.28 2.04 -1.91 -1.89 117.51 117.62 2k50 h ILE 10 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 2k50 h ILE 10 Cb 0.00 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 2k50 h ILE 10 CO 0.00 0.00 0.29 -1.28 0.00 0.00 0.00 178.15 177.16 2k50 h SER 11 N 0.00 0.59 -0.67 1.72 0.87 -1.89 -2.93 113.55 111.23 2k50 h SER 11 Ca 0.05 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2k50 h SER 11 Cb 0.85 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 2k50 h SER 11 CO -0.00 0.46 0.00 0.29 -0.53 0.00 0.00 176.83 177.05 2k50 n LYS 12 N -4.43 3.05 -2.97 2.24 4.76 -0.71 -4.90 118.16 115.21 2k50 n LYS 12 Ca 0.04 -2.62 -0.44 0.00 -2.87 0.00 0.00 58.31 52.42 2k50 n LYS 12 Cb 0.08 -1.69 -0.04 0.00 -1.84 0.00 0.00 35.03 31.55 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 -1.33 4.96 0.12 -0.35 1.43 -1.11 -5.00 118.68 117.41 2k50 s LEU 13 Ca 0.48 -1.49 -0.06 0.00 -1.03 0.00 0.00 54.13 52.03 2k50 s LEU 13 Cb 0.28 -2.37 -0.06 0.00 0.03 0.00 0.00 46.19 44.07 2k50 s LEU 13 CO 0.29 -1.21 0.38 -0.70 0.23 0.00 0.00 176.35 175.33 2k50 s GLU 14 N 3.12 3.65 0.31 1.70 2.12 -1.26 -5.06 118.70 123.27 2k50 s GLU 14 Ca 0.22 -0.02 -0.30 0.00 0.36 0.00 0.00 54.97 55.23 2k50 s GLU 14 Cb -0.15 -2.90 -0.11 0.00 0.26 0.00 0.00 34.13 31.23 2k50 s GLU 14 CO 0.03 0.50 1.56 -1.83 -0.54 0.00 0.00 175.26 174.98 2k50 s GLU 15 N -2.42 4.13 0.00 4.30 -1.05 -1.26 -1.92 118.70 120.48 2k50 s GLU 15 Ca 0.38 2.56 0.00 0.00 -0.15 0.00 0.00 54.97 57.76 2k50 s GLU 15 Cb -0.13 -3.02 0.00 0.00 -0.44 0.00 0.00 34.13 30.55 2k50 s GLU 15 CO 0.22 -0.60 0.00 0.41 0.95 0.00 0.00 175.26 176.24 2k50 n GLY 16 N 1.81 2.51 3.83 -3.83 0.00 0.61 -5.02 105.19 105.11 2k50 n GLY 16 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.27 3.13 -0.28 4.61 0.00 -0.81 -4.84 121.76 121.31 2k50 s ALA 17 Ca 0.00 0.26 0.02 0.00 0.00 0.00 0.00 51.96 52.23 2k50 s ALA 17 Cb 0.00 -3.02 0.06 0.00 0.00 0.00 0.00 23.12 20.16 2k50 s ALA 17 CO 0.00 0.16 -0.07 -2.00 0.00 0.00 0.00 175.76 173.85 2k50 s GLU 18 N -3.21 2.25 0.06 0.00 2.12 -1.26 -1.45 118.70 117.20 2k50 s GLU 18 Ca 0.59 -1.36 -0.16 0.00 0.36 0.00 0.00 54.97 54.40 2k50 s GLU 18 Cb -0.09 -3.00 0.03 0.00 0.26 0.00 0.00 34.13 31.33 2k50 s GLU 18 CO 0.16 -0.61 0.38 -0.08 -0.54 0.00 0.00 175.26 174.57 2k50 s THR 19 N 1.13 0.07 0.58 -1.70 -1.32 -0.64 -4.89 115.64 108.87 2k50 s THR 19 Ca -0.07 -0.56 -0.19 0.00 -1.21 0.00 0.00 61.69 59.66 2k50 s THR 19 Cb -0.20 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.74 2k50 s THR 19 CO -0.04 -0.31 1.17 -2.16 -2.21 0.00 0.00 174.62 171.07 2k50 s PRO 20 N -2.80 3.12 0.17 7.08 0.04 -1.26 -2.89 135.00 138.46 2k50 s PRO 20 Ca -0.03 1.72 0.06 0.00 0.04 0.00 0.00 61.00 62.79 2k50 s PRO 20 Cb -0.00 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 2k50 s PRO 20 CO -0.05 -1.06 -0.12 0.14 0.04 0.00 0.00 177.00 175.95 2k50 s VAL 21 N -1.70 1.46 -0.07 -0.36 -7.23 0.48 -4.85 120.40 108.13 2k50 s VAL 21 Ca 0.75 -2.12 -0.07 0.00 -1.81 0.00 0.00 61.98 58.73 2k50 s VAL 21 Cb -0.27 -1.93 0.02 0.00 0.56 0.00 0.00 36.38 34.76 2k50 s VAL 21 CO 0.31 -0.66 0.20 -0.89 -0.31 0.00 0.00 175.10 173.75 2k50 s THR 22 N -3.09 0.00 -0.12 5.32 2.01 -1.26 -0.77 115.64 117.74 2k50 s THR 22 Ca 0.19 -0.04 -0.33 0.00 0.31 0.00 0.00 61.69 61.83 2k50 s THR 22 Cb 0.01 -0.30 0.12 0.00 0.01 0.00 0.00 72.50 72.34 2k50 s THR 22 CO 0.04 -0.02 1.11 -0.83 -0.69 0.00 0.00 174.62 174.23 2k50 s GLY 23 N 0.02 -0.35 -0.21 4.40 0.00 -0.85 -4.44 107.32 105.90 2k50 s GLY 23 Ca -0.01 1.34 -0.16 0.00 0.00 0.00 0.00 44.72 45.89 2k50 s GLY 23 CO 0.00 0.44 0.40 0.50 0.00 0.00 0.00 173.10 174.44 2k50 s ARG 24 N -2.65 4.16 0.07 2.90 0.52 -0.78 -1.39 118.95 121.78 2k50 s ARG 24 Ca 0.08 0.19 -0.31 0.00 -0.52 0.00 0.00 55.73 55.18 2k50 s ARG 24 Cb -0.01 -3.54 -0.08 0.00 0.52 0.00 0.00 34.95 31.84 2k50 s ARG 24 CO -0.06 -0.05 1.64 0.08 0.02 0.00 0.00 175.30 176.93 2k50 s VAL 25 N 1.36 3.06 -0.21 3.52 1.01 0.48 -0.63 120.40 129.00 2k50 s VAL 25 Ca 0.19 0.52 -0.17 0.00 0.00 0.00 0.00 61.98 62.51 2k50 s VAL 25 Cb -0.15 -3.33 -0.08 0.00 0.00 0.00 0.00 36.38 32.82 2k50 s VAL 25 CO 0.08 -0.00 -0.35 0.80 0.00 0.00 0.00 175.10 175.63 2k50 n MET 26 N 5.55 0.55 -4.13 2.72 1.56 -0.02 -3.30 117.12 120.04 2k50 n MET 26 Ca 0.16 0.23 -0.15 0.00 -0.27 0.00 0.00 57.70 57.66 2k50 n MET 26 Cb 0.41 -1.45 -0.12 0.00 2.15 0.00 0.00 33.22 34.20 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 -2.79 0.61 -0.15 2.12 -0.14 -1.04 -4.64 119.74 113.71 2k50 s LYS 27 Ca -0.31 -0.71 0.01 0.00 -1.36 0.00 0.00 55.97 53.60 2k50 s LYS 27 Cb 0.07 -0.48 0.02 0.00 -1.68 0.00 0.00 37.83 35.76 2k50 s LYS 27 CO 0.44 0.10 -0.18 0.42 -0.76 0.00 0.00 175.35 175.38 2k50 s ILE 28 N -1.11 1.83 0.15 2.17 1.01 -1.26 -0.29 121.20 123.70 2k50 s ILE 28 Ca -0.05 -0.82 -0.10 0.00 0.00 0.00 0.00 60.65 59.68 2k50 s ILE 28 Cb -0.09 -1.66 -0.06 0.00 0.01 0.00 0.00 42.46 40.66 2k50 s ILE 28 CO 0.01 0.50 0.47 -0.55 0.00 0.00 0.00 174.94 175.37 2k50 s SER 29 N 1.15 6.64 0.72 3.58 0.15 -0.33 -5.00 113.70 120.61 2k50 s SER 29 Ca -0.00 0.84 -0.13 0.00 0.70 0.00 0.00 55.95 57.35 2k50 s SER 29 Cb -0.14 -2.20 0.03 0.00 -1.71 0.00 0.00 66.02 62.01 2k50 s SER 29 CO -0.07 0.07 1.12 -0.44 1.20 0.00 0.00 173.24 175.12 2k50 s SER 30 N -2.05 4.66 0.17 5.45 0.01 -1.26 -3.92 113.70 116.76 2k50 s SER 30 Ca 0.39 2.01 -0.31 0.00 1.31 0.00 0.00 55.95 59.36 2k50 s SER 30 Cb -0.13 -2.55 -0.09 0.00 0.21 0.00 0.00 66.02 63.46 2k50 s SER 30 CO 0.20 -1.93 1.42 -2.16 0.41 0.00 0.00 173.24 171.18 2k50 s PRO 31 N -4.33 4.30 -0.26 12.44 0.04 -1.26 -4.41 135.00 141.52 2k50 s PRO 31 Ca 0.66 2.17 -0.17 0.00 0.04 0.00 0.00 61.00 63.71 2k50 s PRO 31 Cb -0.21 -3.19 -0.03 0.00 0.04 0.00 0.00 34.50 31.11 2k50 s PRO 31 CO 0.47 -0.43 0.45 0.50 0.04 0.00 0.00 177.00 178.03 2k50 s ARG 32 N 0.58 4.06 0.11 4.56 3.52 0.11 -4.84 118.95 127.07 2k50 s ARG 32 Ca 0.63 0.21 -0.25 0.00 -0.13 0.00 0.00 55.73 56.19 2k50 s ARG 32 Cb -0.39 -3.64 -0.07 0.00 -1.56 0.00 0.00 34.95 29.29 2k50 s ARG 32 CO 0.34 -0.28 0.75 0.99 -0.81 0.00 0.00 175.30 176.29 2k50 s THR 33 N 2.09 4.53 0.27 4.11 2.01 -1.26 -1.27 115.64 126.12 2k50 s THR 33 Ca 0.19 1.63 -0.06 0.00 0.31 0.00 0.00 61.69 63.75 2k50 s THR 33 Cb -0.16 -4.10 -0.01 0.00 0.01 0.00 0.00 72.50 68.24 2k50 s THR 33 CO 0.09 0.47 0.39 0.72 -0.69 0.00 0.00 174.62 175.61 2k50 s PHE 34 N -0.76 0.82 -0.32 4.92 -0.12 0.47 -4.96 117.98 118.02 2k50 s PHE 34 Ca 0.36 -1.10 -0.09 0.00 -0.05 0.00 0.00 56.93 56.06 2k50 s PHE 34 Cb -0.22 -0.10 0.01 0.00 -0.63 0.00 0.00 43.02 42.08 2k50 s PHE 34 CO 0.24 -0.96 0.13 0.99 -0.05 0.00 0.00 175.22 175.58 2k50 s THR 35 N -3.71 4.30 0.87 -4.49 2.01 -1.26 -3.68 115.64 109.68 2k50 s THR 35 Ca 0.30 -0.68 -0.14 0.00 0.31 0.00 0.00 61.69 61.48 2k50 s THR 35 Cb 0.01 -3.27 0.20 0.00 0.01 0.00 0.00 72.50 69.45 2k50 s THR 35 CO 0.14 -0.02 1.19 1.07 -0.69 0.00 0.00 174.62 176.31 2k50 n THR 36 N 4.93 0.00 1.36 -0.82 5.66 -1.26 -4.98 114.28 119.17 2k50 n THR 36 Ca -0.13 -0.92 0.14 0.00 -3.05 0.00 0.00 64.05 60.08 2k50 n THR 36 Cb 0.48 -1.52 0.60 0.00 -1.55 0.00 0.00 70.33 68.34 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 -3.50 0.61 -4.65 1.09 5.12 -1.26 -4.87 116.66 109.20 2k50 n ARG 37 Ca 0.15 -0.21 -0.30 0.00 -1.93 0.00 0.00 57.85 55.56 2k50 n ARG 37 Cb 0.53 -1.50 -0.09 0.00 -1.16 0.00 0.00 32.46 30.24 2k50 n ARG 37 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2k50 s LYS 38 N -2.53 2.11 -0.76 5.56 1.02 -1.26 -5.04 119.74 118.85 2k50 s LYS 38 Ca 0.27 -2.25 -0.07 0.00 0.02 0.00 0.00 55.97 53.94 2k50 s LYS 38 Cb 0.20 -1.61 -0.15 0.00 -0.52 0.00 0.00 37.83 35.74 2k50 s LYS 38 CO 0.49 -0.24 2.99 0.41 -0.92 0.00 0.00 175.35 178.08 2k50 n GLY 39 N -1.17 3.39 3.25 -3.33 0.00 -1.26 -4.84 105.19 101.23 2k50 n GLY 39 Ca -0.12 -1.20 -0.20 0.00 0.00 0.00 0.00 46.02 44.50 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 1.90 1.03 0.57 1.61 0.52 -1.26 -5.05 118.95 118.27 2k50 s ARG 40 Ca 0.61 -1.19 0.31 0.00 -0.52 0.00 0.00 55.73 54.94 2k50 s ARG 40 Cb 0.22 -1.03 1.72 0.00 0.52 0.00 0.00 34.95 36.39 2k50 s ARG 40 CO -0.03 0.21 2.17 1.05 0.02 0.00 0.00 175.30 178.73 2k50 h GLU 41 N 3.75 0.00 -3.64 3.54 4.11 -1.88 -3.39 114.58 117.07 2k50 h GLU 41 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.02 2k50 h GLU 41 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2k50 h GLU 41 CO 0.46 0.06 -0.62 0.41 0.07 0.00 0.00 179.01 179.39 2k50 n GLY 42 N -0.90 -4.53 3.15 1.06 0.00 -1.24 -4.13 105.19 98.59 2k50 n GLY 42 Ca -0.02 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.16 0.55 -0.04 1.61 1.02 -1.26 -0.40 119.74 120.07 2k50 s LYS 43 Ca -0.02 -0.37 0.02 0.00 0.02 0.00 0.00 55.97 55.62 2k50 s LYS 43 Cb 0.00 0.23 0.01 0.00 -0.52 0.00 0.00 37.83 37.56 2k50 s LYS 43 CO 0.06 -0.14 -0.07 -0.48 -0.92 0.00 0.00 175.35 173.80 2k50 s LEU 44 N -1.43 1.57 -0.05 3.17 0.05 -0.40 0.97 118.68 122.56 2k50 s LEU 44 Ca -0.14 -0.17 0.05 0.00 0.05 0.00 0.00 54.13 53.92 2k50 s LEU 44 Cb -0.07 -0.54 -0.02 0.00 -2.05 0.00 0.00 46.19 43.52 2k50 s LEU 44 CO 0.02 0.01 -0.21 0.00 -0.55 0.00 0.00 176.35 175.62 2k50 s ALA 45 N 0.57 2.37 -0.36 1.48 0.00 0.50 0.10 121.76 126.41 2k50 s ALA 45 Ca -0.09 -1.03 -0.10 0.00 0.00 0.00 0.00 51.96 50.75 2k50 s ALA 45 Cb -0.12 -0.79 0.03 0.00 0.00 0.00 0.00 23.12 22.24 2k50 s ALA 45 CO 0.01 0.47 0.18 -0.80 0.00 0.00 0.00 175.76 175.62 2k50 s ASN 46 N -0.40 5.62 -0.21 0.00 0.01 -1.25 -0.40 114.94 118.30 2k50 s ASN 46 Ca 0.04 -1.02 -0.08 0.00 -0.71 0.00 0.00 52.86 51.08 2k50 s ASN 46 Cb -0.12 -1.98 -0.04 0.00 0.41 0.00 0.00 41.25 39.52 2k50 s ASN 46 CO 0.02 -0.37 0.09 -0.69 -1.51 0.00 0.00 177.10 174.64 2k50 s VAL 47 N 1.51 4.87 -0.54 1.60 1.01 0.06 -1.19 120.40 127.72 2k50 s VAL 47 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 61.98 61.79 2k50 s VAL 47 Cb -0.19 -3.23 0.07 0.00 0.00 0.00 0.00 36.38 33.03 2k50 s VAL 47 CO 0.06 0.41 0.69 -0.63 0.00 0.00 0.00 175.10 175.63 2k50 s ILE 48 N 0.75 4.78 -0.04 2.22 -1.09 0.61 -0.31 121.20 128.12 2k50 s ILE 48 Ca 0.05 -0.51 -0.01 0.00 -2.23 0.00 0.00 60.65 57.95 2k50 s ILE 48 Cb -0.13 -4.39 -0.04 0.00 -1.58 0.00 0.00 42.46 36.33 2k50 s ILE 48 CO 0.02 -0.94 0.04 0.27 -1.23 0.00 0.00 174.94 173.09 2k50 s ILE 49 N 2.86 4.50 0.09 2.92 -4.36 -0.59 -0.84 121.20 125.79 2k50 s ILE 49 Ca 0.16 -0.37 0.07 0.00 -0.26 0.00 0.00 60.65 60.25 2k50 s ILE 49 Cb -0.19 -2.99 -0.03 0.00 1.25 0.00 0.00 42.46 40.49 2k50 s ILE 49 CO 0.11 0.45 -0.17 0.00 0.24 0.00 0.00 174.94 175.58 2k50 s ALA 50 N -1.06 1.49 0.20 2.27 0.00 0.20 -0.60 121.76 124.26 2k50 s ALA 50 Ca 0.18 -1.15 -0.16 0.00 0.00 0.00 0.00 51.96 50.84 2k50 s ALA 50 Cb -0.12 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.87 2k50 s ALA 50 CO 0.09 0.23 0.50 0.34 0.00 0.00 0.00 175.76 176.92 2k50 s ASP 51 N -1.93 -0.19 0.20 0.00 2.15 -0.17 -1.86 116.67 114.86 2k50 s ASP 51 Ca 0.03 -0.62 0.17 0.00 0.43 0.00 0.00 52.55 52.56 2k50 s ASP 51 Cb -0.09 0.57 0.81 0.00 -0.30 0.00 0.00 42.92 43.91 2k50 s ASP 51 CO 0.03 -1.07 1.51 0.47 -0.17 0.00 0.00 175.17 175.95 2k50 n ASP 52 N -0.34 0.41 0.08 -0.34 8.00 -1.26 -1.05 116.55 122.05 2k50 n ASP 52 Ca -0.08 0.65 0.12 0.00 0.71 0.00 0.00 54.79 56.19 2k50 n ASP 52 Cb 0.62 -0.72 0.03 0.00 -0.02 0.00 0.00 41.12 41.03 2k50 n ASP 52 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2k50 n THR 53 N -2.01 0.48 0.00 -3.53 -2.24 -1.26 -5.06 114.28 100.66 2k50 n THR 53 Ca 0.00 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 2k50 n THR 53 Cb 0.09 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 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 1.24 2.58 3.62 3.38 0.00 -0.21 -4.43 105.19 111.37 2k50 n GLY 54 Ca 0.01 -1.30 -0.34 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.03 3.55 0.17 1.61 8.01 -1.26 -1.00 118.70 127.74 2k50 s GLU 55 Ca 0.00 -0.41 0.09 0.00 0.01 0.00 0.00 54.97 54.67 2k50 s GLU 55 Cb 0.00 -2.99 -0.04 0.00 -4.31 0.00 0.00 34.13 26.79 2k50 s GLU 55 CO 0.00 0.42 -0.20 -1.17 0.01 0.00 0.00 175.26 174.32 2k50 s LEU 56 N -0.09 2.42 -0.36 1.80 2.96 0.23 -4.06 118.68 121.58 2k50 s LEU 56 Ca 0.04 -0.85 -0.10 0.00 -0.22 0.00 0.00 54.13 53.01 2k50 s LEU 56 Cb -0.13 -0.94 0.03 0.00 0.50 0.00 0.00 46.19 45.65 2k50 s LEU 56 CO 0.02 0.02 0.18 -0.60 -1.32 0.00 0.00 176.35 174.65 2k50 s ARG 57 N -2.68 2.76 -0.29 1.98 3.52 0.06 -1.53 118.95 122.77 2k50 s ARG 57 Ca 0.16 -1.11 -0.25 0.00 -0.13 0.00 0.00 55.73 54.40 2k50 s ARG 57 Cb -0.07 -3.65 0.00 0.00 -1.56 0.00 0.00 34.95 29.68 2k50 s ARG 57 CO 0.07 -0.69 0.88 0.00 -0.81 0.00 0.00 175.30 174.75 2k50 s ALA 58 N 1.51 3.55 -0.47 6.12 0.00 0.58 -0.62 121.76 132.43 2k50 s ALA 58 Ca 0.01 -0.25 -0.17 0.00 0.00 0.00 0.00 51.96 51.55 2k50 s ALA 58 Cb -0.19 -3.40 0.06 0.00 0.00 0.00 0.00 23.12 19.59 2k50 s ALA 58 CO 0.05 -1.21 0.45 0.08 0.00 0.00 0.00 175.76 175.13 2k50 s VAL 59 N 3.11 5.13 -0.52 0.00 1.01 0.21 -0.76 120.40 128.58 2k50 s VAL 59 Ca 0.36 -0.81 -0.20 0.00 0.00 0.00 0.00 61.98 61.33 2k50 s VAL 59 Cb -0.14 -4.14 0.06 0.00 0.00 0.00 0.00 36.38 32.16 2k50 s VAL 59 CO 0.12 -0.59 0.71 -0.36 0.00 0.00 0.00 175.10 174.97 2k50 s PHE 60 N 1.94 2.98 0.77 5.22 0.40 0.46 -2.08 117.98 127.67 2k50 s PHE 60 Ca 0.08 -0.44 -0.11 0.00 -0.60 0.00 0.00 56.93 55.86 2k50 s PHE 60 Cb -0.22 -3.70 0.05 0.00 0.51 0.00 0.00 43.02 39.66 2k50 s PHE 60 CO 0.09 -1.13 1.08 -1.58 0.70 0.00 0.00 175.22 174.38 2k50 s TRP 61 N 2.97 2.89 0.51 0.36 0.52 -1.26 -0.37 118.94 124.55 2k50 s TRP 61 Ca 0.19 1.26 0.45 0.00 0.02 0.00 0.00 56.10 58.02 2k50 s TRP 61 Cb -0.18 -3.04 1.60 0.00 -1.15 0.00 0.00 33.47 30.71 2k50 s TRP 61 CO 0.13 -1.63 1.47 -2.37 0.02 0.00 0.00 176.95 174.57 2k50 n THR 62 N -3.36 -0.03 0.07 2.01 5.66 0.27 0.11 114.28 119.01 2k50 n THR 62 Ca 0.07 1.45 -0.06 0.00 -3.05 0.00 0.00 64.05 62.46 2k50 n THR 62 Cb 0.55 -2.40 -0.11 0.00 -1.55 0.00 0.00 70.33 66.82 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 -3.29 114.58 114.85 2k50 h GLU 63 Ca 0.88 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.58 2k50 h GLU 63 Cb 3.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 32.10 2k50 h GLU 63 CO -0.07 0.94 -0.12 0.09 -1.16 0.00 0.00 179.01 178.69 2k50 n ASN 64 N -3.33 1.74 -0.20 1.42 4.13 0.30 -4.28 115.26 115.05 2k50 n ASN 64 Ca -0.00 -1.45 0.13 0.00 1.68 0.00 0.00 54.58 54.93 2k50 n ASN 64 Cb 0.92 0.09 0.44 0.00 -1.54 0.00 0.00 39.78 39.68 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 2.56 0.85 -0.02 2.41 1.08 -1.45 0.40 117.51 123.34 2k50 h ILE 65 Ca 0.00 -0.19 0.01 0.00 -0.39 0.00 0.00 64.86 64.28 2k50 h ILE 65 Cb 0.63 0.23 -0.00 0.00 -3.07 0.00 0.00 36.82 34.61 2k50 h ILE 65 CO 0.00 0.10 0.05 0.07 -0.69 0.00 0.00 178.15 177.69 2k50 h LYS 66 N 0.57 0.00 0.00 2.37 2.10 -1.83 -1.74 116.57 118.03 2k50 h LYS 66 Ca 0.38 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.97 2k50 h LYS 66 Cb 0.70 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.02 2k50 h LYS 66 CO -0.15 0.00 -0.32 -0.07 -2.00 0.00 0.00 179.45 176.92 2k50 h LEU 67 N 0.00 0.00 -2.65 7.07 3.38 -1.22 -3.32 115.31 118.57 2k50 h LEU 67 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2k50 h LEU 67 Cb 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2k50 h LEU 67 CO -0.00 0.29 0.03 -0.07 0.09 0.00 0.00 178.44 178.78 2k50 h LEU 68 N 0.00 0.00 -0.12 1.67 3.38 -1.39 -1.40 115.31 117.45 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 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2k50 h LEU 68 CO 0.04 0.00 -0.19 2.29 0.09 0.00 0.00 178.44 180.67 2k50 n LYS 69 N -3.50 0.33 0.09 1.13 2.85 -1.25 -3.87 118.16 113.94 2k50 n LYS 69 Ca -0.03 -0.12 -0.19 0.00 -1.05 0.00 0.00 58.31 56.92 2k50 n LYS 69 Cb 0.10 -1.50 -0.11 0.00 -0.65 0.00 0.00 35.03 32.87 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 0.29 0.51 -6.24 -1.58 1.57 -1.49 -3.46 116.57 106.17 2k50 h LYS 70 Ca 0.00 -0.68 -0.60 0.00 -1.87 0.00 0.00 60.65 57.51 2k50 h LYS 70 Cb 0.44 0.22 -0.13 0.00 0.08 0.00 0.00 32.23 32.84 2k50 h LYS 70 CO 0.00 1.29 -0.73 -0.59 -0.57 0.00 0.00 179.45 178.85 2k50 s PHE 71 N -2.99 2.43 0.41 -1.35 -0.71 -1.25 -5.01 117.98 109.51 2k50 s PHE 71 Ca -0.08 -0.29 0.07 0.00 -1.04 0.00 0.00 56.93 55.59 2k50 s PHE 71 Cb 0.07 -1.07 -0.07 0.00 -1.21 0.00 0.00 43.02 40.73 2k50 s PHE 71 CO 0.91 0.67 0.07 1.03 -1.34 0.00 0.00 175.22 176.56 2k50 s ARG 72 N -3.49 2.06 -1.11 1.99 0.52 -1.26 -4.96 118.95 112.70 2k50 s ARG 72 Ca 0.30 -2.02 -0.24 0.00 -0.52 0.00 0.00 55.73 53.25 2k50 s ARG 72 Cb -0.06 -1.76 -0.10 0.00 0.52 0.00 0.00 34.95 33.55 2k50 s ARG 72 CO 0.16 -0.08 1.97 -2.00 0.02 0.00 0.00 175.30 175.37 2k50 s GLU 73 N -3.78 2.33 0.00 3.54 2.12 -1.26 -2.12 118.70 119.53 2k50 s GLU 73 Ca 0.37 -0.88 0.00 0.00 0.36 0.00 0.00 54.97 54.82 2k50 s GLU 73 Cb 0.08 -5.17 0.00 0.00 0.26 0.00 0.00 34.13 29.30 2k50 s GLU 73 CO 0.19 -4.07 0.00 0.41 -0.54 0.00 0.00 175.26 171.26 2k50 n GLY 74 N 6.07 0.44 3.70 -1.50 0.00 -1.21 -4.94 105.19 107.75 2k50 n GLY 74 Ca 0.44 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.16 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 2.05 -0.18 1.61 1.01 -0.90 -4.54 116.67 115.72 2k50 s ASP 75 Ca 0.00 0.72 -0.06 0.00 0.71 0.00 0.00 52.55 53.92 2k50 s ASP 75 Cb 0.00 -1.07 -0.03 0.00 1.01 0.00 0.00 42.92 42.83 2k50 s ASP 75 CO 0.00 -3.43 0.03 -0.69 0.21 0.00 0.00 175.17 171.28 2k50 s VAL 76 N -3.20 4.41 0.06 -1.27 1.01 -1.26 -0.38 120.40 119.76 2k50 s VAL 76 Ca 0.69 -0.17 0.09 0.00 0.00 0.00 0.00 61.98 62.59 2k50 s VAL 76 Cb -0.11 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 2k50 s VAL 76 CO 0.55 0.46 -0.22 0.27 0.00 0.00 0.00 175.10 176.16 2k50 s ILE 77 N 0.48 2.51 -0.21 2.22 -4.36 -0.49 -0.53 121.20 120.83 2k50 s ILE 77 Ca 0.01 -1.36 0.00 0.00 -0.26 0.00 0.00 60.65 59.04 2k50 s ILE 77 Cb -0.13 -2.05 0.05 0.00 1.25 0.00 0.00 42.46 41.58 2k50 s ILE 77 CO 0.02 0.29 -0.05 -0.60 0.24 0.00 0.00 174.94 174.83 2k50 s ARG 78 N -1.52 1.54 -0.10 0.37 3.52 0.82 -2.02 118.95 121.56 2k50 s ARG 78 Ca 0.14 -0.80 -0.03 0.00 -0.13 0.00 0.00 55.73 54.91 2k50 s ARG 78 Cb -0.10 -2.38 -0.03 0.00 -1.56 0.00 0.00 34.95 30.87 2k50 s ARG 78 CO 0.05 -0.54 0.03 0.42 -0.81 0.00 0.00 175.30 174.45 2k50 s ILE 79 N 1.50 4.54 -0.08 4.11 1.01 0.05 -1.31 121.20 131.01 2k50 s ILE 79 Ca -0.03 -0.16 0.02 0.00 0.00 0.00 0.00 60.65 60.48 2k50 s ILE 79 Cb -0.17 -2.94 -0.02 0.00 0.01 0.00 0.00 42.46 39.34 2k50 s ILE 79 CO -0.07 0.59 -0.14 -0.75 0.00 0.00 0.00 174.94 174.57 2k50 s LYS 80 N -0.73 2.88 -0.31 2.79 2.20 -1.10 -0.38 119.74 125.09 2k50 s LYS 80 Ca 0.12 -0.70 -0.06 0.00 -0.36 0.00 0.00 55.97 54.97 2k50 s LYS 80 Cb -0.12 -2.48 0.01 0.00 -1.51 0.00 0.00 37.83 33.73 2k50 s LYS 80 CO 0.02 0.44 0.22 -0.25 -0.36 0.00 0.00 175.35 175.43 2k50 n ASP 81 N 2.84 -7.06 -4.12 1.43 8.00 -1.26 -4.21 116.55 112.17 2k50 n ASP 81 Ca -0.18 0.88 -0.08 0.00 0.71 0.00 0.00 54.79 56.12 2k50 n ASP 81 Cb 0.52 -4.69 -0.10 0.00 -0.02 0.00 0.00 41.12 36.84 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 -1.81 0.17 -0.17 2.53 -7.23 -1.14 -4.43 120.40 108.32 2k50 s VAL 82 Ca 0.09 -1.86 -0.04 0.00 -1.81 0.00 0.00 61.98 58.36 2k50 s VAL 82 Cb -0.03 -1.78 -0.03 0.00 0.56 0.00 0.00 36.38 35.11 2k50 s VAL 82 CO 0.66 -0.73 -0.02 0.20 -0.31 0.00 0.00 175.10 174.89 2k50 s ASN 83 N -2.99 4.82 -0.40 4.85 0.02 -0.95 -1.62 114.94 118.68 2k50 s ASN 83 Ca 0.15 -0.15 -0.25 0.00 -1.02 0.00 0.00 52.86 51.60 2k50 s ASN 83 Cb 0.08 -1.80 0.02 0.00 0.02 0.00 0.00 41.25 39.57 2k50 s ASN 83 CO -0.04 0.14 0.87 -0.63 0.02 0.00 0.00 177.10 177.45 2k50 s ILE 84 N 0.56 4.61 0.00 0.60 -1.09 -0.53 -1.01 121.20 124.33 2k50 s ILE 84 Ca -0.02 0.92 0.00 0.00 -2.23 0.00 0.00 60.65 59.32 2k50 s ILE 84 Cb -0.14 -4.32 0.00 0.00 -1.58 0.00 0.00 42.46 36.42 2k50 s ILE 84 CO 0.02 -0.59 0.00 0.54 -1.23 0.00 0.00 174.94 173.68 2k50 n ARG 85 N 6.76 0.00 0.00 2.79 5.12 -0.69 -0.28 116.66 130.35 2k50 n ARG 85 Ca 0.05 0.20 0.00 0.00 -1.93 0.00 0.00 57.85 56.17 2k50 n ARG 85 Cb 0.48 -0.64 0.00 0.00 -1.16 0.00 0.00 32.46 31.14 2k50 n ARG 85 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k50 n GLY 86 N 2.15 0.08 3.55 -0.13 0.00 -1.26 -4.30 105.19 105.29 2k50 n GLY 86 Ca 0.00 0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.96 2k50 n GLY 86 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k50 s GLY 87 N 0.00 1.25 -0.00 -0.02 0.00 -1.26 -4.85 107.32 102.45 2k50 s GLY 87 Ca 0.00 -1.03 -0.30 0.00 0.00 0.00 0.00 44.72 43.40 2k50 s GLY 87 CO 0.00 2.30 2.02 -0.12 0.00 0.00 0.00 173.10 177.30 2k50 s PHE 88 N 4.51 1.24 0.00 1.90 5.36 -1.26 -3.83 117.98 125.90 2k50 s PHE 88 Ca 0.37 -0.32 0.00 0.00 -0.96 0.00 0.00 56.93 56.02 2k50 s PHE 88 Cb -0.10 -4.20 0.00 0.00 -0.34 0.00 0.00 43.02 38.38 2k50 s PHE 88 CO 0.22 -5.39 0.00 0.41 -1.46 0.00 0.00 175.22 169.00 2k50 n GLY 89 N 4.75 1.04 4.80 13.12 0.00 -1.26 -4.86 105.19 122.78 2k50 n GLY 89 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 1.66 3.56 -0.02 0.00 -1.25 -4.86 105.19 104.28 2k50 n GLY 90 Ca 0.00 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 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 3.12 0.97 1.61 0.52 -1.26 -4.93 118.95 118.97 2k50 s ARG 91 Ca 0.00 -0.77 -0.16 0.00 -0.52 0.00 0.00 55.73 54.27 2k50 s ARG 91 Cb 0.00 -5.23 0.25 0.00 0.52 0.00 0.00 34.95 30.49 2k50 s ARG 91 CO 0.00 -2.77 0.67 1.63 0.02 0.00 0.00 175.30 174.85 2k50 n LYS 92 N 8.85 -3.46 -3.85 3.54 5.02 -1.25 -4.28 118.16 122.73 2k50 n LYS 92 Ca 0.37 -1.10 -0.13 0.00 -2.02 0.00 0.00 58.31 55.43 2k50 n LYS 92 Cb 0.49 -1.26 -0.14 0.00 -0.02 0.00 0.00 35.03 34.10 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 -4.56 0.00 -0.19 1.97 -1.05 -1.26 -0.76 118.70 112.85 2k50 s GLU 93 Ca 0.48 0.05 -0.00 0.00 -0.15 0.00 0.00 54.97 55.35 2k50 s GLU 93 Cb -0.07 -0.04 0.01 0.00 -0.44 0.00 0.00 34.13 33.59 2k50 s GLU 93 CO 0.39 -0.03 -0.16 0.00 0.95 0.00 0.00 175.26 176.40 2k50 s ALA 94 N 0.22 2.44 -0.16 -0.84 0.00 0.21 -1.70 121.76 121.92 2k50 s ALA 94 Ca -0.02 -1.20 -0.15 0.00 0.00 0.00 0.00 51.96 50.59 2k50 s ALA 94 Cb -0.03 -1.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.76 2k50 s ALA 94 CO -0.01 -0.36 0.36 -1.01 0.00 0.00 0.00 175.76 174.75 2k50 s HIS 95 N 1.32 3.45 0.56 0.00 3.76 -0.18 -0.62 115.29 123.58 2k50 s HIS 95 Ca 0.05 0.67 -0.06 0.00 -0.15 0.00 0.00 55.06 55.56 2k50 s HIS 95 Cb -0.13 -2.44 -0.01 0.00 1.11 0.00 0.00 32.58 31.11 2k50 s HIS 95 CO -0.10 0.16 0.88 -0.51 -0.85 0.00 0.00 174.74 174.31 2k50 s LEU 96 N 0.73 3.34 0.27 0.89 1.02 -0.88 -2.23 118.68 121.81 2k50 s LEU 96 Ca 0.19 0.83 0.11 0.00 0.02 0.00 0.00 54.13 55.29 2k50 s LEU 96 Cb -0.14 -3.71 -0.05 0.00 0.02 0.00 0.00 46.19 42.31 2k50 s LEU 96 CO 0.06 -0.91 -0.15 -0.04 0.02 0.00 0.00 176.35 175.33 2k50 s MET 97 N -4.94 1.83 0.40 1.70 -1.94 -1.26 -4.69 119.30 110.39 2k50 s MET 97 Ca 0.52 -1.66 0.20 0.00 -1.71 0.00 0.00 55.69 53.04 2k50 s MET 97 Cb -0.10 -1.88 1.15 0.00 2.01 0.00 0.00 34.83 36.00 2k50 s MET 97 CO 0.46 0.34 1.73 -1.35 -0.01 0.00 0.00 175.02 176.20 2k50 h PRO 98 N 2.24 0.34 0.00 2.03 0.11 -1.97 0.16 132.00 134.91 2k50 h PRO 98 Ca -0.41 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2k50 h PRO 98 Cb 1.25 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2k50 h PRO 98 CO 0.59 0.22 -0.25 0.54 -0.21 0.00 0.00 178.00 178.89 2k50 n ARG 99 N -4.68 0.11 -2.29 1.05 1.74 -1.26 -4.88 116.66 106.45 2k50 n ARG 99 Ca 0.28 0.06 -0.41 0.00 -0.77 0.00 0.00 57.85 57.00 2k50 n ARG 99 Cb 0.98 -1.60 -0.03 0.00 -1.02 0.00 0.00 32.46 30.79 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 -3.53 6.97 0.29 0.55 0.01 0.56 -5.04 113.70 113.51 2k50 s SER 100 Ca 0.11 2.29 0.11 0.00 1.31 0.00 0.00 55.95 59.77 2k50 s SER 100 Cb 0.16 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.74 2k50 s SER 100 CO 0.62 -0.49 -0.14 0.42 0.41 0.00 0.00 173.24 174.07 2k50 s THR 101 N 0.31 2.57 -0.03 1.44 -4.23 -1.26 -4.83 115.64 109.61 2k50 s THR 101 Ca 0.57 -2.28 0.04 0.00 -1.18 0.00 0.00 61.69 58.84 2k50 s THR 101 Cb -0.34 -2.46 -0.00 0.00 1.34 0.00 0.00 72.50 71.03 2k50 s THR 101 CO 0.35 -0.35 -0.15 0.68 -0.54 0.00 0.00 174.62 174.61 2k50 s VAL 102 N -2.50 1.27 0.03 2.29 -7.23 -1.26 -2.71 120.40 110.28 2k50 s VAL 102 Ca 0.31 -0.64 0.08 0.00 -1.81 0.00 0.00 61.98 59.92 2k50 s VAL 102 Cb -0.04 -1.08 -0.02 0.00 0.56 0.00 0.00 36.38 35.80 2k50 s VAL 102 CO 0.16 0.37 -0.23 -1.83 -0.31 0.00 0.00 175.10 173.26 2k50 s GLU 103 N -0.05 1.66 0.02 4.82 -1.05 -0.43 -4.93 118.70 118.74 2k50 s GLU 103 Ca -0.01 -0.97 -0.24 0.00 -0.15 0.00 0.00 54.97 53.61 2k50 s GLU 103 Cb -0.09 -1.75 -0.05 0.00 -0.44 0.00 0.00 34.13 31.79 2k50 s GLU 103 CO 0.01 0.46 0.71 0.14 0.95 0.00 0.00 175.26 177.53 2k50 s VAL 104 N -0.73 4.82 0.14 1.83 -7.23 -1.26 -0.12 120.40 117.85 2k50 s VAL 104 Ca 0.09 1.50 0.01 0.00 -1.81 0.00 0.00 61.98 61.78 2k50 s VAL 104 Cb -0.09 -4.06 0.01 0.00 0.56 0.00 0.00 36.38 32.81 2k50 s VAL 104 CO 0.01 0.36 0.11 0.18 -0.31 0.00 0.00 175.10 175.45 2k50 n LEU 105 N 2.92 0.00 0.00 1.32 4.77 0.31 -4.82 117.00 121.50 2k50 n LEU 105 Ca -0.03 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.24 2k50 n LEU 105 Cb 0.51 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2k50 n LEU 105 CO 0.46 -0.35 0.00 -0.67 -1.33 0.00 0.00 177.39 175.51 2k50 n ASP 106 N -2.01 0.00 -4.36 -1.43 2.03 -1.26 -4.26 116.55 105.26 2k50 n ASP 106 Ca -0.00 0.00 -0.45 0.00 0.52 0.00 0.00 54.79 54.85 2k50 n ASP 106 Cb 0.15 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.52 2k50 n ASP 106 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2k50 s PRO 107 N 0.00 3.21 -0.35 -0.67 0.04 -1.26 -5.05 135.00 130.92 2k50 s PRO 107 Ca 0.00 -1.69 -0.28 0.00 0.04 0.00 0.00 61.00 59.07 2k50 s PRO 107 Cb 0.00 -4.38 -0.02 0.00 0.04 0.00 0.00 34.50 30.14 2k50 s PRO 107 CO 0.00 -1.47 1.76 -0.51 0.04 0.00 0.00 177.00 176.81 2k50 s LEU 108 N 1.94 3.50 0.01 -3.56 2.01 -1.26 -4.83 118.68 116.50 2k50 s LEU 108 Ca 0.13 1.20 0.22 0.00 0.01 0.00 0.00 54.13 55.70 2k50 s LEU 108 Cb -0.20 -3.46 -0.06 0.00 0.01 0.00 0.00 46.19 42.48 2k50 s LEU 108 CO 0.01 -1.71 0.98 -0.62 1.01 0.00 0.00 176.35 176.02 2k50 n GLU 109 N 8.42 0.10 0.00 1.70 -0.58 -1.26 -5.20 120.64 123.83 2k50 n GLU 109 Ca 0.22 -0.02 0.13 0.00 -0.42 0.00 0.00 57.16 57.08 2k50 n GLU 109 Cb 0.47 -1.52 0.38 0.00 -0.57 0.00 0.00 31.44 30.20 2k50 n GLU 109 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37