#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 1.62 -0.59 2.12 3.01 -1.26 -5.02 119.74 119.63 2k50 s LYS 2 Ca 0.00 -1.23 -0.05 0.00 -1.01 0.00 0.00 55.97 53.68 2k50 s LYS 2 Cb 0.00 -1.99 -0.10 0.00 -1.01 0.00 0.00 37.83 34.73 2k50 s LYS 2 CO 0.00 0.48 2.26 -2.30 0.51 0.00 0.00 175.35 176.30 2k50 n PRO 3 N 1.11 1.81 -2.48 -1.68 -0.02 -1.26 -4.91 135.00 127.58 2k50 n PRO 3 Ca -0.17 -1.15 -0.42 0.00 -2.02 0.00 0.00 63.50 59.73 2k50 n PRO 3 Cb 0.53 -2.21 -0.02 0.00 -0.02 0.00 0.00 33.50 31.77 2k50 n PRO 3 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2k50 s GLU 4 N 2.70 3.52 -0.29 -0.52 2.12 -1.26 -4.95 118.70 120.02 2k50 s GLU 4 Ca 0.41 0.53 -0.17 0.00 0.36 0.00 0.00 54.97 56.11 2k50 s GLU 4 Cb 0.14 -4.02 0.13 0.00 0.26 0.00 0.00 34.13 30.64 2k50 s GLU 4 CO -0.02 -1.65 0.92 -3.38 -0.54 0.00 0.00 175.26 170.59 2k50 s HIS 5 N 5.24 -0.66 -0.21 5.30 -3.43 -1.26 -5.19 115.29 115.09 2k50 s HIS 5 Ca 0.51 1.33 -0.30 0.00 -0.80 0.00 0.00 55.06 55.80 2k50 s HIS 5 Cb -0.10 0.40 0.16 0.00 -1.43 0.00 0.00 32.58 31.61 2k50 s HIS 5 CO 0.29 -0.33 1.18 0.50 -2.00 0.00 0.00 174.74 174.38 2k50 s ARG 6 N 1.31 0.33 -0.62 -0.38 3.52 -1.26 -5.10 118.95 116.75 2k50 s ARG 6 Ca -0.08 0.04 -0.27 0.00 -0.13 0.00 0.00 55.73 55.28 2k50 s ARG 6 Cb -0.04 0.16 -0.11 0.00 -1.56 0.00 0.00 34.95 33.40 2k50 s ARG 6 CO -0.15 -0.11 2.49 -1.33 -0.81 0.00 0.00 175.30 175.38 2k50 n MET 7 N 0.48 0.78 -2.76 5.12 2.81 -1.26 -4.93 117.12 117.37 2k50 n MET 7 Ca -0.04 -0.02 -0.31 0.00 -1.81 0.00 0.00 57.70 55.52 2k50 n MET 7 Cb 0.58 -2.98 -0.04 0.00 -0.71 0.00 0.00 33.22 30.08 2k50 n MET 7 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 2k50 s ASP 8 N 11.43 6.61 0.00 7.83 1.47 -1.26 -5.10 116.67 137.66 2k50 s ASP 8 Ca 1.07 1.31 0.00 0.00 1.18 0.00 0.00 52.55 56.11 2k50 s ASP 8 Cb -0.44 -2.40 0.00 0.00 -0.34 0.00 0.00 42.92 39.75 2k50 s ASP 8 CO 0.31 -0.43 0.00 0.35 0.68 0.00 0.00 175.17 176.09 2k50 n THR 9 N -1.22 0.00 -0.35 2.11 -2.24 -1.26 -4.94 114.28 106.38 2k50 n THR 9 Ca 0.04 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.87 2k50 n THR 9 Cb 0.54 0.00 0.21 0.00 -2.10 0.00 0.00 70.33 68.98 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 0.39 0.95 0.00 2.28 2.04 -1.86 0.17 117.51 121.47 2k50 h ILE 10 Ca 0.00 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.52 2k50 h ILE 10 Cb 0.00 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 35.96 2k50 h ILE 10 CO 0.00 0.18 0.00 -1.28 0.00 0.00 0.00 178.15 177.05 2k50 h SER 11 N 0.98 0.00 -0.02 1.72 0.87 -1.89 -2.92 113.55 112.29 2k50 h SER 11 Ca 0.46 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.02 2k50 h SER 11 Cb 0.39 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2k50 h SER 11 CO -0.24 0.00 -0.25 0.29 -0.53 0.00 0.00 176.83 176.10 2k50 n LYS 12 N -2.38 1.59 -2.19 2.24 4.76 0.55 -4.95 118.16 117.77 2k50 n LYS 12 Ca 0.01 -1.18 -0.43 0.00 -2.87 0.00 0.00 58.31 53.84 2k50 n LYS 12 Cb 0.22 -1.37 -0.02 0.00 -1.84 0.00 0.00 35.03 32.02 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 -2.02 3.55 0.08 -0.35 1.43 -0.95 -4.87 118.68 115.55 2k50 s LEU 13 Ca 0.18 1.06 -0.05 0.00 -1.03 0.00 0.00 54.13 54.29 2k50 s LEU 13 Cb 0.16 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.79 2k50 s LEU 13 CO 0.39 -1.55 0.31 -0.70 0.23 0.00 0.00 176.35 175.03 2k50 s GLU 14 N 5.24 3.58 0.33 1.70 2.12 -1.26 -4.95 118.70 125.46 2k50 s GLU 14 Ca 0.70 -0.14 -0.29 0.00 0.36 0.00 0.00 54.97 55.60 2k50 s GLU 14 Cb -0.18 -2.97 -0.11 0.00 0.26 0.00 0.00 34.13 31.13 2k50 s GLU 14 CO 0.33 0.56 1.41 -1.83 -0.54 0.00 0.00 175.26 175.19 2k50 s GLU 15 N -2.28 4.25 0.00 4.30 -1.05 -1.26 -2.25 118.70 120.41 2k50 s GLU 15 Ca 0.35 2.37 0.00 0.00 -0.15 0.00 0.00 54.97 57.53 2k50 s GLU 15 Cb -0.13 -3.04 0.00 0.00 -0.44 0.00 0.00 34.13 30.52 2k50 s GLU 15 CO 0.22 -0.37 0.00 0.41 0.95 0.00 0.00 175.26 176.47 2k50 n GLY 16 N 1.04 1.52 3.86 -3.83 0.00 0.39 -4.99 105.19 103.18 2k50 n GLY 16 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.40 3.27 -0.26 4.61 0.00 -0.95 -4.87 121.76 121.16 2k50 s ALA 17 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 51.96 51.93 2k50 s ALA 17 Cb 0.00 -2.82 0.07 0.00 0.00 0.00 0.00 23.12 20.36 2k50 s ALA 17 CO 0.00 0.00 -0.06 -2.00 0.00 0.00 0.00 175.76 173.70 2k50 s GLU 18 N -3.72 1.88 0.05 0.00 2.12 -1.26 -1.62 118.70 116.14 2k50 s GLU 18 Ca 0.54 -1.28 -0.19 0.00 0.36 0.00 0.00 54.97 54.40 2k50 s GLU 18 Cb -0.10 -2.80 0.04 0.00 0.26 0.00 0.00 34.13 31.53 2k50 s GLU 18 CO 0.28 -0.64 0.43 -0.08 -0.54 0.00 0.00 175.26 174.72 2k50 s THR 19 N 1.20 0.05 0.46 -1.70 -1.32 -0.48 -4.83 115.64 109.01 2k50 s THR 19 Ca -0.05 -0.42 -0.23 0.00 -1.21 0.00 0.00 61.69 59.78 2k50 s THR 19 Cb -0.19 -0.96 -0.07 0.00 -1.51 0.00 0.00 72.50 69.77 2k50 s THR 19 CO -0.06 -0.23 1.19 -2.16 -2.21 0.00 0.00 174.62 171.15 2k50 s PRO 20 N -2.49 3.74 0.20 7.08 0.04 -1.26 -1.96 135.00 140.35 2k50 s PRO 20 Ca -0.05 1.85 0.09 0.00 0.04 0.00 0.00 61.00 62.93 2k50 s PRO 20 Cb -0.01 -2.44 -0.04 0.00 0.04 0.00 0.00 34.50 32.05 2k50 s PRO 20 CO -0.02 -0.59 -0.19 0.14 0.04 0.00 0.00 177.00 176.38 2k50 s VAL 21 N -1.49 2.00 -0.01 -0.36 -7.23 0.70 -4.85 120.40 109.15 2k50 s VAL 21 Ca 0.63 -2.09 0.02 0.00 -1.81 0.00 0.00 61.98 58.73 2k50 s VAL 21 Cb -0.30 -2.01 -0.00 0.00 0.56 0.00 0.00 36.38 34.62 2k50 s VAL 21 CO 0.37 -0.36 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.83 2k50 s THR 22 N -2.28 0.62 0.00 5.32 2.01 -1.26 -0.06 115.64 119.98 2k50 s THR 22 Ca 0.21 -0.32 0.00 0.00 0.31 0.00 0.00 61.69 61.89 2k50 s THR 22 Cb -0.05 -0.53 0.00 0.00 0.01 0.00 0.00 72.50 71.93 2k50 s THR 22 CO 0.09 0.18 0.00 0.61 -0.69 0.00 0.00 174.62 174.81 2k50 n GLY 23 N 3.02 0.50 3.80 4.40 0.00 -0.68 -4.72 105.19 111.51 2k50 n GLY 23 Ca -0.15 -0.72 -0.39 0.00 0.00 0.00 0.00 46.02 44.77 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 4.22 0.17 1.61 0.52 -0.60 -1.59 118.95 121.29 2k50 s ARG 24 Ca 0.00 0.74 -0.30 0.00 -0.52 0.00 0.00 55.73 55.65 2k50 s ARG 24 Cb 0.00 -3.25 -0.08 0.00 0.52 0.00 0.00 34.95 32.14 2k50 s ARG 24 CO 0.00 0.60 1.20 0.08 0.02 0.00 0.00 175.30 177.20 2k50 s VAL 25 N -0.98 3.60 0.02 3.52 1.01 -0.07 -0.75 120.40 126.76 2k50 s VAL 25 Ca 0.29 1.32 -0.03 0.00 0.00 0.00 0.00 61.98 63.56 2k50 s VAL 25 Cb -0.19 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 2k50 s VAL 25 CO 0.19 0.20 -0.06 0.80 0.00 0.00 0.00 175.10 176.22 2k50 n MET 26 N 2.66 0.10 -4.37 2.72 1.56 -0.53 -3.28 117.12 115.98 2k50 n MET 26 Ca 0.05 0.04 -0.27 0.00 -0.27 0.00 0.00 57.70 57.25 2k50 n MET 26 Cb 0.45 -0.58 -0.17 0.00 2.15 0.00 0.00 33.22 35.07 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 -1.94 1.85 -0.32 2.12 -0.14 -1.14 -4.74 119.74 115.44 2k50 s LYS 27 Ca -0.05 -0.43 -0.08 0.00 -1.36 0.00 0.00 55.97 54.04 2k50 s LYS 27 Cb 0.01 -1.63 0.01 0.00 -1.68 0.00 0.00 37.83 34.54 2k50 s LYS 27 CO 0.08 -0.08 0.13 0.42 -0.76 0.00 0.00 175.35 175.14 2k50 s ILE 28 N 1.04 4.23 0.37 2.17 1.01 -1.26 -0.50 121.20 128.25 2k50 s ILE 28 Ca -0.07 -0.70 -0.25 0.00 0.00 0.00 0.00 60.65 59.63 2k50 s ILE 28 Cb -0.15 -3.24 -0.10 0.00 0.01 0.00 0.00 42.46 38.99 2k50 s ILE 28 CO -0.01 -0.01 0.99 -0.44 0.00 0.00 0.00 174.94 175.46 2k50 s SER 29 N 1.53 7.06 0.61 3.58 0.01 -0.01 -5.02 113.70 121.45 2k50 s SER 29 Ca 0.03 1.91 -0.19 0.00 1.31 0.00 0.00 55.95 59.01 2k50 s SER 29 Cb -0.18 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.45 2k50 s SER 29 CO 0.04 -0.27 1.22 -0.44 0.41 0.00 0.00 173.24 174.20 2k50 s SER 30 N -1.65 5.05 -0.02 2.44 0.01 -1.26 -4.12 113.70 114.15 2k50 s SER 30 Ca 0.55 2.43 -0.30 0.00 1.31 0.00 0.00 55.95 59.94 2k50 s SER 30 Cb -0.19 -2.60 -0.07 0.00 0.21 0.00 0.00 66.02 63.37 2k50 s SER 30 CO 0.24 -1.69 1.84 -2.16 0.41 0.00 0.00 173.24 171.88 2k50 s PRO 31 N -3.36 4.09 -0.26 12.44 0.04 -1.26 -4.61 135.00 142.09 2k50 s PRO 31 Ca 0.78 2.38 -0.16 0.00 0.04 0.00 0.00 61.00 64.04 2k50 s PRO 31 Cb -0.32 -4.10 -0.03 0.00 0.04 0.00 0.00 34.50 30.09 2k50 s PRO 31 CO 0.35 -0.98 0.44 0.50 0.04 0.00 0.00 177.00 177.34 2k50 s ARG 32 N 4.40 4.06 -0.19 4.56 3.52 0.15 -4.89 118.95 130.55 2k50 s ARG 32 Ca 0.82 0.18 -0.21 0.00 -0.13 0.00 0.00 55.73 56.40 2k50 s ARG 32 Cb -0.38 -3.64 -0.03 0.00 -1.56 0.00 0.00 34.95 29.35 2k50 s ARG 32 CO 0.36 -0.28 0.61 0.99 -0.81 0.00 0.00 175.30 176.18 2k50 s THR 33 N 2.07 5.04 0.46 4.11 2.01 -1.26 -1.08 115.64 127.00 2k50 s THR 33 Ca 0.18 1.16 0.04 0.00 0.31 0.00 0.00 61.69 63.38 2k50 s THR 33 Cb -0.16 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 2k50 s THR 33 CO 0.09 0.13 0.02 0.72 -0.69 0.00 0.00 174.62 174.90 2k50 s PHE 34 N 1.78 2.17 -0.27 4.92 -0.12 0.88 -4.95 117.98 122.40 2k50 s PHE 34 Ca 0.28 -0.82 -0.10 0.00 -0.05 0.00 0.00 56.93 56.25 2k50 s PHE 34 Cb -0.16 -1.70 -0.04 0.00 -0.63 0.00 0.00 43.02 40.48 2k50 s PHE 34 CO 0.11 0.31 0.15 0.99 -0.05 0.00 0.00 175.22 176.73 2k50 s THR 35 N -2.79 5.05 0.47 -4.49 2.01 -1.26 -3.23 115.64 111.40 2k50 s THR 35 Ca 0.20 0.08 0.07 0.00 0.31 0.00 0.00 61.69 62.36 2k50 s THR 35 Cb 0.05 -3.39 0.01 0.00 0.01 0.00 0.00 72.50 69.18 2k50 s THR 35 CO 0.11 0.29 0.42 0.28 -0.69 0.00 0.00 174.62 175.02 2k50 s THR 36 N 1.61 2.30 -0.04 -0.82 -1.32 -0.38 -4.97 115.64 112.01 2k50 s THR 36 Ca 0.07 -1.37 0.09 0.00 -1.21 0.00 0.00 61.69 59.26 2k50 s THR 36 Cb -0.15 -2.66 -0.24 0.00 -1.51 0.00 0.00 72.50 67.94 2k50 s THR 36 CO 0.08 0.00 0.68 -0.09 -2.21 0.00 0.00 174.62 173.08 2k50 h ARG 37 N 0.88 0.05 -4.85 7.08 2.43 -1.89 -3.48 114.38 114.60 2k50 h ARG 37 Ca -0.39 -0.09 -0.45 0.00 -0.81 0.00 0.00 59.98 58.25 2k50 h ARG 37 Cb 1.28 0.03 -0.30 0.00 -0.42 0.00 0.00 29.97 30.56 2k50 h ARG 37 CO 0.56 0.66 -0.80 -1.59 -1.51 0.00 0.00 179.97 177.30 2k50 s LYS 38 N -2.60 1.03 0.00 0.20 0.00 -1.26 -4.97 119.74 112.14 2k50 s LYS 38 Ca -0.07 -0.38 0.00 0.00 0.00 0.00 0.00 55.97 55.52 2k50 s LYS 38 Cb 0.08 -0.97 0.00 0.00 0.00 0.00 0.00 37.83 36.94 2k50 s LYS 38 CO 0.82 0.19 0.00 0.41 0.00 0.00 0.00 175.35 176.77 2k50 n GLY 39 N 3.05 1.37 3.96 0.59 0.00 -1.26 -4.83 105.19 108.06 2k50 n GLY 39 Ca -0.16 0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 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 3.24 0.03 1.61 0.52 -1.26 -5.04 118.95 118.06 2k50 s ARG 40 Ca 0.00 -0.57 -0.27 0.00 -0.52 0.00 0.00 55.73 54.37 2k50 s ARG 40 Cb 0.00 -2.67 -0.17 0.00 0.52 0.00 0.00 34.95 32.63 2k50 s ARG 40 CO 0.00 -0.01 1.40 1.05 0.02 0.00 0.00 175.30 177.76 2k50 h GLU 41 N 0.68 -0.46 0.00 3.54 4.11 -1.89 -3.40 114.58 117.15 2k50 h GLU 41 Ca -0.48 0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2k50 h GLU 41 Cb 1.24 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.60 2k50 h GLU 41 CO 0.58 -0.19 0.00 0.41 0.07 0.00 0.00 179.01 179.88 2k50 n GLY 42 N -0.70 3.14 3.25 1.06 0.00 -1.20 -1.25 105.19 109.49 2k50 n GLY 42 Ca -0.10 -1.03 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 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 -4.41 0.78 0.04 1.61 1.02 -1.26 -0.08 119.74 117.44 2k50 s LYS 43 Ca 0.00 -0.45 -0.15 0.00 0.02 0.00 0.00 55.97 55.39 2k50 s LYS 43 Cb 0.00 0.34 0.02 0.00 -0.52 0.00 0.00 37.83 37.67 2k50 s LYS 43 CO 0.00 -0.25 0.33 -0.48 -0.92 0.00 0.00 175.35 174.04 2k50 s LEU 44 N -1.94 0.74 0.01 3.17 0.05 -0.24 0.65 118.68 121.13 2k50 s LEU 44 Ca -0.06 -0.10 0.01 0.00 0.05 0.00 0.00 54.13 54.02 2k50 s LEU 44 Cb -0.02 1.45 -0.01 0.00 -2.05 0.00 0.00 46.19 45.56 2k50 s LEU 44 CO -0.02 -0.61 -0.03 0.00 -0.55 0.00 0.00 176.35 175.14 2k50 s ALA 45 N -2.37 0.24 -0.34 1.48 0.00 0.79 0.30 121.76 121.86 2k50 s ALA 45 Ca -0.06 -0.34 -0.09 0.00 0.00 0.00 0.00 51.96 51.47 2k50 s ALA 45 Cb -0.01 0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.15 2k50 s ALA 45 CO -0.02 -0.02 0.15 -0.80 0.00 0.00 0.00 175.76 175.07 2k50 s ASN 46 N -0.68 5.48 -0.23 0.00 0.01 -1.26 -0.18 114.94 118.09 2k50 s ASN 46 Ca -0.05 -0.96 -0.07 0.00 -0.71 0.00 0.00 52.86 51.07 2k50 s ASN 46 Cb -0.05 -1.95 -0.03 0.00 0.41 0.00 0.00 41.25 39.64 2k50 s ASN 46 CO -0.00 -0.32 0.05 -0.69 -1.51 0.00 0.00 177.10 174.63 2k50 s VAL 47 N 1.50 4.25 -0.48 1.60 1.01 0.05 -0.83 120.40 127.50 2k50 s VAL 47 Ca 0.01 -0.20 -0.20 0.00 0.00 0.00 0.00 61.98 61.59 2k50 s VAL 47 Cb -0.19 -2.96 0.04 0.00 0.00 0.00 0.00 36.38 33.28 2k50 s VAL 47 CO 0.05 0.38 0.62 -0.63 0.00 0.00 0.00 175.10 175.52 2k50 s ILE 48 N 1.30 4.86 0.14 2.22 -1.09 0.34 -0.87 121.20 128.11 2k50 s ILE 48 Ca 0.05 -0.28 0.05 0.00 -2.23 0.00 0.00 60.65 58.24 2k50 s ILE 48 Cb -0.15 -4.25 -0.04 0.00 -1.58 0.00 0.00 42.46 36.44 2k50 s ILE 48 CO 0.03 -0.72 0.09 0.27 -1.23 0.00 0.00 174.94 173.38 2k50 s ILE 49 N 2.68 4.34 -0.03 2.92 -4.36 -0.70 -1.45 121.20 124.60 2k50 s ILE 49 Ca 0.17 -1.06 0.02 0.00 -0.26 0.00 0.00 60.65 59.52 2k50 s ILE 49 Cb -0.17 -3.17 0.01 0.00 1.25 0.00 0.00 42.46 40.38 2k50 s ILE 49 CO 0.14 -0.04 -0.06 0.00 0.24 0.00 0.00 174.94 175.22 2k50 s ALA 50 N -1.63 0.70 0.22 2.27 0.00 0.07 -1.25 121.76 122.13 2k50 s ALA 50 Ca 0.30 -0.15 0.04 0.00 0.00 0.00 0.00 51.96 52.14 2k50 s ALA 50 Cb -0.11 -0.35 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 2k50 s ALA 50 CO 0.22 0.05 -0.02 0.34 0.00 0.00 0.00 175.76 176.36 2k50 s ASP 51 N 0.57 1.80 0.57 0.00 2.15 -0.11 -1.55 116.67 120.10 2k50 s ASP 51 Ca -0.08 -1.19 0.26 0.00 0.43 0.00 0.00 52.55 51.97 2k50 s ASP 51 Cb -0.11 0.01 1.59 0.00 -0.30 0.00 0.00 42.92 44.10 2k50 s ASP 51 CO 0.00 -0.49 2.11 0.44 -0.17 0.00 0.00 175.17 177.07 2k50 h ASP 52 N 2.52 0.00 -0.04 -0.34 5.19 -2.01 -0.58 116.42 121.16 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 0.00 0.35 -3.12 0.00 0.00 179.24 177.11 2k50 n THR 53 N -4.00 0.03 0.00 0.35 -2.24 -1.26 -5.03 114.28 102.13 2k50 n THR 53 Ca 0.01 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 2k50 n THR 53 Cb 0.30 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 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 1.21 3.38 3.84 3.38 0.00 -0.22 -3.06 105.19 113.71 2k50 n GLY 54 Ca 0.18 -1.72 -0.31 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.17 3.12 -0.01 1.61 8.01 -1.26 -0.93 118.70 127.08 2k50 s GLU 55 Ca 0.00 -0.58 0.00 0.00 0.01 0.00 0.00 54.97 54.41 2k50 s GLU 55 Cb 0.00 -2.86 0.01 0.00 -4.31 0.00 0.00 34.13 26.96 2k50 s GLU 55 CO 0.00 0.59 -0.01 -1.17 0.01 0.00 0.00 175.26 174.68 2k50 s LEU 56 N -2.41 1.82 -0.45 1.80 2.96 -0.38 -4.14 118.68 117.87 2k50 s LEU 56 Ca 0.31 -0.01 -0.19 0.00 -0.22 0.00 0.00 54.13 54.02 2k50 s LEU 56 Cb -0.13 -0.07 0.03 0.00 0.50 0.00 0.00 46.19 46.52 2k50 s LEU 56 CO 0.24 -0.01 0.55 -0.60 -1.32 0.00 0.00 176.35 175.20 2k50 s ARG 57 N 0.20 3.15 -0.19 1.98 3.52 -0.72 -1.72 118.95 125.17 2k50 s ARG 57 Ca -0.02 -0.70 -0.17 0.00 -0.13 0.00 0.00 55.73 54.72 2k50 s ARG 57 Cb -0.03 -4.00 -0.04 0.00 -1.56 0.00 0.00 34.95 29.32 2k50 s ARG 57 CO -0.01 -1.00 0.46 0.00 -0.81 0.00 0.00 175.30 173.94 2k50 s ALA 58 N 2.46 3.54 -0.41 6.12 0.00 -0.04 -1.25 121.76 132.18 2k50 s ALA 58 Ca 0.16 -0.44 -0.16 0.00 0.00 0.00 0.00 51.96 51.52 2k50 s ALA 58 Cb -0.17 -2.71 0.02 0.00 0.00 0.00 0.00 23.12 20.26 2k50 s ALA 58 CO 0.15 -0.33 0.36 0.08 0.00 0.00 0.00 175.76 176.02 2k50 s VAL 59 N 1.38 5.18 -0.53 0.00 1.01 0.34 -0.77 120.40 127.00 2k50 s VAL 59 Ca 0.22 -0.46 -0.21 0.00 0.00 0.00 0.00 61.98 61.53 2k50 s VAL 59 Cb -0.15 -3.97 0.06 0.00 0.00 0.00 0.00 36.38 32.32 2k50 s VAL 59 CO 0.09 -0.34 0.73 -0.36 0.00 0.00 0.00 175.10 175.22 2k50 s PHE 60 N 1.91 2.96 0.75 5.22 0.40 0.75 -1.71 117.98 128.27 2k50 s PHE 60 Ca 0.09 -0.43 -0.11 0.00 -0.60 0.00 0.00 56.93 55.88 2k50 s PHE 60 Cb -0.18 -3.74 0.04 0.00 0.51 0.00 0.00 43.02 39.65 2k50 s PHE 60 CO 0.12 -1.16 1.08 -1.58 0.70 0.00 0.00 175.22 174.38 2k50 s TRP 61 N 3.04 2.89 0.40 0.36 0.52 -1.26 -0.15 118.94 124.73 2k50 s TRP 61 Ca 0.19 1.34 0.28 0.00 0.02 0.00 0.00 56.10 57.93 2k50 s TRP 61 Cb -0.18 -3.00 1.36 0.00 -1.15 0.00 0.00 33.47 30.51 2k50 s TRP 61 CO 0.13 -1.57 1.46 -2.37 0.02 0.00 0.00 176.95 174.63 2k50 n THR 62 N -3.34 -0.27 -0.12 2.01 5.66 0.21 0.99 114.28 119.41 2k50 n THR 62 Ca 0.08 1.74 -0.13 0.00 -3.05 0.00 0.00 64.05 62.68 2k50 n THR 62 Cb 0.54 -2.84 -0.03 0.00 -1.55 0.00 0.00 70.33 66.46 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 0.89 0.00 1.09 4.39 -1.91 -3.21 114.58 115.83 2k50 h GLU 63 Ca 0.82 -0.45 0.00 0.00 0.34 0.00 0.00 59.36 60.06 2k50 h GLU 63 Cb 2.52 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 31.19 2k50 h GLU 63 CO -0.50 1.10 -0.13 0.09 -1.16 0.00 0.00 179.01 178.41 2k50 n ASN 64 N -4.12 0.25 -0.24 1.42 4.13 0.28 -3.79 115.26 113.19 2k50 n ASN 64 Ca -0.02 0.35 0.18 0.00 1.68 0.00 0.00 54.58 56.77 2k50 n ASN 64 Cb 0.51 -0.37 0.49 0.00 -1.54 0.00 0.00 39.78 38.87 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 0.00 0.71 0.00 2.41 1.08 -1.35 0.36 117.51 120.71 2k50 h ILE 65 Ca 0.00 -0.16 -0.00 0.00 -0.39 0.00 0.00 64.86 64.31 2k50 h ILE 65 Cb 0.55 0.21 -0.00 0.00 -3.07 0.00 0.00 36.82 34.51 2k50 h ILE 65 CO 0.00 0.08 -0.02 0.07 -0.69 0.00 0.00 178.15 177.60 2k50 h LYS 66 N 0.46 0.00 0.00 2.37 2.10 -1.78 -2.17 116.57 117.54 2k50 h LYS 66 Ca 0.46 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 59.07 2k50 h LYS 66 Cb 1.07 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.39 2k50 h LYS 66 CO -0.18 0.02 -0.20 -0.07 -2.00 0.00 0.00 179.45 177.01 2k50 h LEU 67 N 0.00 0.00 -2.87 7.07 3.38 -1.19 -3.28 115.31 118.42 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 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2k50 h LEU 67 CO 0.00 0.20 0.00 -0.07 0.09 0.00 0.00 178.44 178.67 2k50 h LEU 68 N 0.00 0.00 -0.07 1.67 3.38 -1.50 -1.24 115.31 117.56 2k50 h LEU 68 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k50 h LEU 68 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2k50 h LEU 68 CO 0.03 0.00 0.00 0.07 0.09 0.00 0.00 178.44 178.63 2k50 h LYS 69 N 0.00 0.00 0.10 1.13 2.10 -1.77 -3.35 116.57 114.78 2k50 h LYS 69 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 2k50 h LYS 69 Cb 0.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.37 2k50 h LYS 69 CO 0.00 0.00 -0.05 0.87 -2.00 0.00 0.00 179.45 178.27 2k50 h LYS 70 N 0.00 -0.13 -6.00 0.07 1.57 -1.47 -3.46 116.57 107.15 2k50 h LYS 70 Ca 0.00 0.01 -0.58 0.00 -1.87 0.00 0.00 60.65 58.21 2k50 h LYS 70 Cb 0.74 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.04 2k50 h LYS 70 CO 0.00 0.21 -0.26 -0.59 -0.57 0.00 0.00 179.45 178.24 2k50 s PHE 71 N -4.74 1.43 0.32 -1.35 -0.71 -1.26 -5.13 117.98 106.55 2k50 s PHE 71 Ca -0.15 -0.88 0.10 0.00 -1.04 0.00 0.00 56.93 54.97 2k50 s PHE 71 Cb 0.03 -1.92 -0.06 0.00 -1.21 0.00 0.00 43.02 39.85 2k50 s PHE 71 CO 0.63 -0.63 -0.12 1.03 -1.34 0.00 0.00 175.22 174.78 2k50 s ARG 72 N -4.36 1.76 -0.98 1.99 0.52 -1.26 -5.00 118.95 111.62 2k50 s ARG 72 Ca 0.36 -1.88 -0.24 0.00 -0.52 0.00 0.00 55.73 53.44 2k50 s ARG 72 Cb -0.03 -1.68 -0.09 0.00 0.52 0.00 0.00 34.95 33.67 2k50 s ARG 72 CO 0.23 0.18 2.03 -2.00 0.02 0.00 0.00 175.30 175.76 2k50 s GLU 73 N -3.59 2.27 0.00 3.54 2.12 -1.26 -2.18 118.70 119.60 2k50 s GLU 73 Ca 0.32 -0.43 0.00 0.00 0.36 0.00 0.00 54.97 55.22 2k50 s GLU 73 Cb 0.01 -5.06 0.00 0.00 0.26 0.00 0.00 34.13 29.33 2k50 s GLU 73 CO 0.16 -3.89 0.00 0.41 -0.54 0.00 0.00 175.26 171.39 2k50 n GLY 74 N 6.50 0.36 3.89 -1.50 0.00 -1.21 -4.90 105.19 108.34 2k50 n GLY 74 Ca 0.43 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.15 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 4.21 -0.45 1.61 1.01 -0.92 -4.45 116.67 117.68 2k50 s ASP 75 Ca 0.00 0.73 -0.18 0.00 0.71 0.00 0.00 52.55 53.81 2k50 s ASP 75 Cb 0.00 -1.17 0.04 0.00 1.01 0.00 0.00 42.92 42.80 2k50 s ASP 75 CO 0.00 -2.09 0.48 -0.69 0.21 0.00 0.00 175.17 173.09 2k50 s VAL 76 N -3.59 5.04 0.04 -1.27 1.01 -1.26 -0.89 120.40 119.48 2k50 s VAL 76 Ca 0.64 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 62.21 2k50 s VAL 76 Cb -0.10 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 2k50 s VAL 76 CO 0.50 -0.54 -0.04 0.27 0.00 0.00 0.00 175.10 175.30 2k50 s ILE 77 N 2.22 3.83 -0.27 2.22 -4.36 -0.62 -1.29 121.20 122.93 2k50 s ILE 77 Ca 0.12 -0.86 0.00 0.00 -0.26 0.00 0.00 60.65 59.66 2k50 s ILE 77 Cb -0.18 -2.74 0.05 0.00 1.25 0.00 0.00 42.46 40.84 2k50 s ILE 77 CO 0.13 0.28 -0.06 -0.60 0.24 0.00 0.00 174.94 174.92 2k50 s ARG 78 N -1.79 2.45 -0.26 0.37 3.52 0.45 -1.68 118.95 122.00 2k50 s ARG 78 Ca 0.21 -1.23 -0.22 0.00 -0.13 0.00 0.00 55.73 54.36 2k50 s ARG 78 Cb -0.11 -3.00 -0.01 0.00 -1.56 0.00 0.00 34.95 30.26 2k50 s ARG 78 CO 0.12 -0.54 0.70 0.42 -0.81 0.00 0.00 175.30 175.19 2k50 s ILE 79 N 1.21 4.92 -0.24 4.11 1.01 0.91 -0.83 121.20 132.28 2k50 s ILE 79 Ca -0.05 1.24 -0.14 0.00 0.00 0.00 0.00 60.65 61.69 2k50 s ILE 79 Cb -0.19 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 2k50 s ILE 79 CO -0.04 -0.04 0.33 -0.75 0.00 0.00 0.00 174.94 174.44 2k50 s LYS 80 N 2.66 4.07 -0.31 2.79 2.20 0.13 -0.22 119.74 131.06 2k50 s LYS 80 Ca 0.29 0.02 -0.04 0.00 -0.36 0.00 0.00 55.97 55.88 2k50 s LYS 80 Cb -0.15 -3.60 0.01 0.00 -1.51 0.00 0.00 37.83 32.58 2k50 s LYS 80 CO 0.09 -0.14 0.14 -0.25 -0.36 0.00 0.00 175.35 174.83 2k50 n ASP 81 N 4.86 -7.87 -4.33 1.43 8.00 -1.26 -3.75 116.55 113.63 2k50 n ASP 81 Ca -0.10 1.15 -0.17 0.00 0.71 0.00 0.00 54.79 56.38 2k50 n ASP 81 Cb 0.51 -4.99 -0.10 0.00 -0.02 0.00 0.00 41.12 36.52 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 -1.78 0.81 -0.22 2.53 -7.23 -0.83 -4.61 120.40 109.07 2k50 s VAL 82 Ca 0.06 -2.01 -0.08 0.00 -1.81 0.00 0.00 61.98 58.14 2k50 s VAL 82 Cb -0.01 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 2k50 s VAL 82 CO 0.73 -0.17 0.09 0.20 -0.31 0.00 0.00 175.10 175.64 2k50 s ASN 83 N -3.31 5.66 -0.18 4.85 0.02 -0.92 -1.38 114.94 119.67 2k50 s ASN 83 Ca 0.33 0.02 -0.23 0.00 -1.02 0.00 0.00 52.86 51.95 2k50 s ASN 83 Cb 0.07 -2.00 -0.02 0.00 0.02 0.00 0.00 41.25 39.32 2k50 s ASN 83 CO 0.11 0.09 0.74 -0.63 0.02 0.00 0.00 177.10 177.43 2k50 s ILE 84 N 0.89 4.95 -0.21 0.60 -1.09 -0.64 -1.08 121.20 124.62 2k50 s ILE 84 Ca 0.05 1.42 0.20 0.00 -2.23 0.00 0.00 60.65 60.09 2k50 s ILE 84 Cb -0.13 -4.05 -0.00 0.00 -1.58 0.00 0.00 42.46 36.70 2k50 s ILE 84 CO 0.03 0.07 1.08 0.03 -1.23 0.00 0.00 174.94 174.91 2k50 h ARG 85 N 7.40 0.00 0.00 2.79 2.47 -1.51 0.11 114.38 125.65 2k50 h ARG 85 Ca -0.30 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.42 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 0.81 0.16 0.00 0.41 0.56 0.00 0.00 179.97 181.91 2k50 n GLY 86 N 1.25 1.43 7.00 0.04 0.00 -1.25 -4.75 105.19 108.90 2k50 n GLY 86 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.88 2.86 2.56 -0.02 0.00 -1.26 -4.21 105.19 103.25 2k50 n GLY 87 Ca 0.00 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 2k50 n GLY 87 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k50 s PHE 88 N 0.00 0.50 -1.31 1.61 0.08 -0.77 -4.94 117.98 113.15 2k50 s PHE 88 Ca 0.00 -1.01 -0.20 0.00 0.12 0.00 0.00 56.93 55.84 2k50 s PHE 88 Cb 0.00 -0.99 0.02 0.00 -0.57 0.00 0.00 43.02 41.48 2k50 s PHE 88 CO 0.00 -0.84 0.51 0.41 -0.10 0.00 0.00 175.22 175.20 2k50 n GLY 89 N 5.14 -0.61 0.00 4.36 0.00 -1.26 -3.88 105.19 108.94 2k50 n GLY 89 Ca -0.05 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2k50 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k50 n GLY 90 N -2.12 0.71 3.66 -0.02 0.00 -1.26 -5.09 105.19 101.06 2k50 n GLY 90 Ca -0.19 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 2k50 n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k50 s ARG 91 N 0.00 4.14 0.67 1.61 0.52 -1.25 -4.97 118.95 119.67 2k50 s ARG 91 Ca 0.00 0.16 0.01 0.00 -0.52 0.00 0.00 55.73 55.37 2k50 s ARG 91 Cb 0.00 -3.56 0.10 0.00 0.52 0.00 0.00 34.95 32.02 2k50 s ARG 91 CO 0.00 -0.07 0.93 0.15 0.02 0.00 0.00 175.30 176.33 2k50 s LYS 92 N 1.42 1.92 0.03 3.54 1.02 -1.26 -1.85 119.74 124.57 2k50 s LYS 92 Ca 0.18 -1.08 -0.07 0.00 0.02 0.00 0.00 55.97 55.01 2k50 s LYS 92 Cb -0.15 -2.39 -0.00 0.00 -0.52 0.00 0.00 37.83 34.77 2k50 s LYS 92 CO 0.08 -1.24 0.14 -1.83 -0.92 0.00 0.00 175.35 171.59 2k50 s GLU 93 N -5.02 0.62 -0.04 1.68 -1.05 -1.26 -1.75 118.70 111.89 2k50 s GLU 93 Ca 0.64 -0.66 0.01 0.00 -0.15 0.00 0.00 54.97 54.81 2k50 s GLU 93 Cb -0.06 0.25 0.02 0.00 -0.44 0.00 0.00 34.13 33.90 2k50 s GLU 93 CO 0.43 -0.17 -0.03 0.00 0.95 0.00 0.00 175.26 176.44 2k50 s ALA 94 N -2.46 0.53 -0.16 -0.84 0.00 -0.38 -1.25 121.76 117.20 2k50 s ALA 94 Ca -0.06 0.02 -0.09 0.00 0.00 0.00 0.00 51.96 51.83 2k50 s ALA 94 Cb -0.02 -0.36 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 2k50 s ALA 94 CO -0.04 -0.02 0.16 -1.01 0.00 0.00 0.00 175.76 174.85 2k50 s HIS 95 N 0.87 3.51 0.38 0.00 3.76 -0.24 -0.51 115.29 123.07 2k50 s HIS 95 Ca -0.11 0.46 -0.08 0.00 -0.15 0.00 0.00 55.06 55.19 2k50 s HIS 95 Cb -0.14 -2.09 -0.05 0.00 1.11 0.00 0.00 32.58 31.41 2k50 s HIS 95 CO -0.00 0.49 0.70 -0.51 -0.85 0.00 0.00 174.74 174.57 2k50 s LEU 96 N -0.27 3.86 0.24 0.89 1.02 -0.69 -2.16 118.68 121.58 2k50 s LEU 96 Ca 0.12 0.96 0.08 0.00 0.02 0.00 0.00 54.13 55.31 2k50 s LEU 96 Cb -0.12 -3.83 -0.04 0.00 0.02 0.00 0.00 46.19 42.22 2k50 s LEU 96 CO 0.02 -0.37 0.05 -0.04 0.02 0.00 0.00 176.35 176.03 2k50 s MET 97 N -3.94 2.49 0.54 1.70 -1.94 -1.26 -4.58 119.30 112.30 2k50 s MET 97 Ca 0.48 -1.26 0.36 0.00 -1.71 0.00 0.00 55.69 53.56 2k50 s MET 97 Cb -0.10 -2.31 1.54 0.00 2.01 0.00 0.00 34.83 35.97 2k50 s MET 97 CO 0.33 0.39 1.82 -1.35 -0.01 0.00 0.00 175.02 176.21 2k50 h PRO 98 N 1.94 0.00 0.00 2.03 0.11 -1.96 0.16 132.00 134.28 2k50 h PRO 98 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2k50 h PRO 98 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2k50 h PRO 98 CO 0.60 0.00 -0.90 0.54 -0.21 0.00 0.00 178.00 178.03 2k50 n ARG 99 N -4.19 0.36 -1.96 1.05 1.74 -1.26 -4.86 116.66 107.54 2k50 n ARG 99 Ca 0.24 0.05 -0.41 0.00 -0.77 0.00 0.00 57.85 56.95 2k50 n ARG 99 Cb 1.18 -1.67 -0.02 0.00 -1.02 0.00 0.00 32.46 30.93 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 -4.32 6.59 0.27 0.55 0.01 0.55 -5.03 113.70 112.32 2k50 s SER 100 Ca 0.04 2.72 0.10 0.00 1.31 0.00 0.00 55.95 60.12 2k50 s SER 100 Cb 0.13 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.69 2k50 s SER 100 CO 0.77 -0.75 -0.07 0.42 0.41 0.00 0.00 173.24 174.02 2k50 s THR 101 N 0.04 3.15 -0.18 1.44 -4.23 -1.25 -4.82 115.64 109.79 2k50 s THR 101 Ca 0.61 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 2k50 s THR 101 Cb -0.43 -2.67 0.01 0.00 1.34 0.00 0.00 72.50 70.75 2k50 s THR 101 CO 0.44 -0.38 -0.17 0.68 -0.54 0.00 0.00 174.62 174.64 2k50 s VAL 102 N -2.37 2.33 -0.21 2.29 -7.23 -1.26 -0.69 120.40 113.25 2k50 s VAL 102 Ca 0.31 -0.86 0.02 0.00 -1.81 0.00 0.00 61.98 59.64 2k50 s VAL 102 Cb -0.06 -1.98 0.04 0.00 0.56 0.00 0.00 36.38 34.93 2k50 s VAL 102 CO 0.18 0.52 -0.16 -1.83 -0.31 0.00 0.00 175.10 173.50 2k50 s GLU 103 N 1.17 2.67 0.27 4.82 -1.05 -0.01 -4.93 118.70 121.64 2k50 s GLU 103 Ca 0.02 -1.02 -0.30 0.00 -0.15 0.00 0.00 54.97 53.52 2k50 s GLU 103 Cb -0.14 -2.68 -0.09 0.00 -0.44 0.00 0.00 34.13 30.78 2k50 s GLU 103 CO -0.08 -0.35 1.08 0.14 0.95 0.00 0.00 175.26 177.00 2k50 s VAL 104 N 1.23 3.59 -2.07 1.83 -7.23 -1.26 -0.41 120.40 116.07 2k50 s VAL 104 Ca -0.00 1.57 0.20 0.00 -1.81 0.00 0.00 61.98 61.94 2k50 s VAL 104 Cb -0.16 -4.00 0.05 0.00 0.56 0.00 0.00 36.38 32.83 2k50 s VAL 104 CO -0.10 0.37 1.05 0.18 -0.31 0.00 0.00 175.10 176.28 2k50 n LEU 105 N 1.34 2.15 -0.01 1.32 4.77 -0.41 -0.93 117.00 125.23 2k50 n LEU 105 Ca -0.01 -0.84 -0.11 0.00 -0.03 0.00 0.00 56.01 55.03 2k50 n LEU 105 Cb 0.45 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.45 2k50 n LEU 105 CO 0.54 0.39 0.37 -0.78 -1.33 0.00 0.00 177.39 176.57 2k50 h ASP 106 N 2.79 -0.07 0.95 -1.43 3.58 -1.93 -3.25 116.42 117.06 2k50 h ASP 106 Ca 0.00 -0.54 0.00 0.00 0.42 0.00 0.00 57.03 56.91 2k50 h ASP 106 Cb 0.74 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.81 2k50 h ASP 106 CO 0.00 0.62 -0.31 -0.81 -2.88 0.00 0.00 179.24 175.86 2k50 n PRO 107 N -4.79 0.15 -1.70 0.28 -0.05 -1.26 -5.06 135.00 122.58 2k50 n PRO 107 Ca -0.08 0.08 0.00 0.00 -0.05 0.00 0.00 63.50 63.45 2k50 n PRO 107 Cb 0.30 -1.63 0.00 0.00 -0.05 0.00 0.00 33.50 32.12 2k50 n PRO 107 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 175.50 175.34 2k50 n LEU 108 N -1.87 -4.66 -0.08 1.53 -0.00 -1.04 -5.04 117.00 105.84 2k50 n LEU 108 Ca 0.05 1.76 -0.06 0.00 -0.00 0.00 0.00 56.01 57.76 2k50 n LEU 108 Cb 0.39 -2.32 -0.02 0.00 -0.00 0.00 0.00 43.42 41.47 2k50 n LEU 108 CO 0.33 -1.54 -0.48 -0.62 -0.00 0.00 0.00 177.39 175.08 2k50 n GLU 109 N 1.10 0.48 0.00 1.96 -0.58 -0.10 -4.96 120.64 118.53 2k50 n GLU 109 Ca 0.00 0.40 0.00 0.00 -0.42 0.00 0.00 57.16 57.14 2k50 n GLU 109 Cb 0.00 -1.59 0.00 0.00 -0.57 0.00 0.00 31.44 29.28 2k50 n GLU 109 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37