#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 0.84 -0.23 3.17 2.36 -1.26 -5.15 119.74 119.47 2k50 s LYS 2 Ca 0.00 -0.72 -0.19 0.00 -2.55 0.00 0.00 55.97 52.51 2k50 s LYS 2 Cb 0.00 -0.01 -0.03 0.00 -1.05 0.00 0.00 37.83 36.74 2k50 s LYS 2 CO 0.00 -1.07 0.56 -1.25 1.55 0.00 0.00 175.35 175.14 2k50 s PRO 3 N 1.14 4.13 -1.26 4.03 0.05 -1.26 -5.01 135.00 136.82 2k50 s PRO 3 Ca 0.25 0.45 -0.19 0.00 0.05 0.00 0.00 61.00 61.56 2k50 s PRO 3 Cb 0.01 -3.62 0.05 0.00 0.05 0.00 0.00 34.50 31.00 2k50 s PRO 3 CO -0.07 -0.30 1.73 -1.21 0.05 0.00 0.00 177.00 177.20 2k50 s GLU 4 N 2.14 3.82 -0.47 4.56 2.02 -1.26 -4.66 118.70 124.84 2k50 s GLU 4 Ca 0.24 -1.83 0.06 0.00 0.02 0.00 0.00 54.97 53.47 2k50 s GLU 4 Cb -0.16 -5.49 0.23 0.00 0.10 0.00 0.00 34.13 28.81 2k50 s GLU 4 CO 0.09 -2.41 0.75 1.58 0.02 0.00 0.00 175.26 175.30 2k50 n HIS 5 N 8.99 -2.74 -1.19 1.61 -0.00 -1.26 -5.14 115.22 115.49 2k50 n HIS 5 Ca 0.47 -2.11 0.00 0.00 0.46 0.00 0.00 57.72 56.54 2k50 n HIS 5 Cb 0.47 1.11 0.00 0.00 -0.12 0.00 0.00 29.99 31.45 2k50 n HIS 5 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2k50 n ARG 6 N 1.94 2.41 -2.99 1.57 3.00 -1.26 -5.00 116.66 116.33 2k50 n ARG 6 Ca 0.14 0.00 -0.44 0.00 -0.01 0.00 0.00 57.85 57.54 2k50 n ARG 6 Cb 0.59 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 33.03 2k50 n ARG 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2k50 s MET 7 N 1.96 3.74 0.26 5.56 0.23 -1.26 -4.84 119.30 124.94 2k50 s MET 7 Ca 0.00 -2.09 -0.30 0.00 -1.03 0.00 0.00 55.69 52.27 2k50 s MET 7 Cb 0.00 -4.88 -0.14 0.00 -1.53 0.00 0.00 34.83 28.28 2k50 s MET 7 CO 0.00 -1.70 1.31 -0.25 -2.03 0.00 0.00 175.02 172.35 2k50 n ASP 8 N 5.90 2.40 -4.69 -1.18 9.92 -1.26 -4.98 116.55 122.66 2k50 n ASP 8 Ca 0.26 1.16 -0.29 0.00 -0.53 0.00 0.00 54.79 55.39 2k50 n ASP 8 Cb 0.47 -1.39 0.16 0.00 -0.64 0.00 0.00 41.12 39.72 2k50 n ASP 8 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2k50 s THR 9 N -0.39 2.33 0.55 -3.53 -1.32 -1.26 -4.54 115.64 107.47 2k50 s THR 9 Ca 0.65 0.11 0.23 0.00 -1.21 0.00 0.00 61.69 61.47 2k50 s THR 9 Cb -0.67 -2.57 0.34 0.00 -1.51 0.00 0.00 72.50 68.09 2k50 s THR 9 CO 0.54 -0.14 2.10 0.40 -2.21 0.00 0.00 174.62 175.31 2k50 h ILE 10 N -1.77 0.74 -0.41 5.08 2.04 -1.90 0.44 117.51 121.74 2k50 h ILE 10 Ca -0.52 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.21 2k50 h ILE 10 Cb 1.31 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 2k50 h ILE 10 CO 0.56 0.00 -0.24 0.28 0.00 0.00 0.00 178.15 178.75 2k50 h SER 11 N 0.00 0.85 0.26 1.72 0.02 -1.91 -3.22 113.55 111.26 2k50 h SER 11 Ca 0.09 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2k50 h SER 11 Cb 0.41 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2k50 h SER 11 CO -0.00 1.05 -0.33 0.29 -1.14 0.00 0.00 176.83 176.70 2k50 n LYS 12 N -4.10 0.71 -1.53 3.45 4.76 0.13 -4.88 118.16 116.70 2k50 n LYS 12 Ca -0.00 -0.44 -0.42 0.00 -2.87 0.00 0.00 58.31 54.58 2k50 n LYS 12 Cb 0.45 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 32.10 2k50 n LYS 12 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2k50 n LEU 13 N -0.76 2.34 -4.80 -0.35 4.77 0.22 -4.84 117.00 113.58 2k50 n LEU 13 Ca 0.11 -0.01 -0.36 0.00 -0.03 0.00 0.00 56.01 55.72 2k50 n LEU 13 Cb 0.35 -1.43 -0.07 0.00 -2.33 0.00 0.00 43.42 39.94 2k50 n LEU 13 CO 0.28 -1.03 -0.14 -0.70 -1.33 0.00 0.00 177.39 174.47 2k50 s GLU 14 N 7.28 3.88 0.38 3.23 2.12 -1.26 -4.95 118.70 129.39 2k50 s GLU 14 Ca 1.06 -0.12 -0.28 0.00 0.36 0.00 0.00 54.97 55.99 2k50 s GLU 14 Cb -0.50 -3.32 -0.11 0.00 0.26 0.00 0.00 34.13 30.46 2k50 s GLU 14 CO 0.37 0.50 1.50 -1.83 -0.54 0.00 0.00 175.26 175.26 2k50 s GLU 15 N -0.26 4.09 0.00 4.30 -1.05 -1.26 -1.92 118.70 122.61 2k50 s GLU 15 Ca 0.13 2.59 0.00 0.00 -0.15 0.00 0.00 54.97 57.54 2k50 s GLU 15 Cb -0.12 -2.96 0.00 0.00 -0.44 0.00 0.00 34.13 30.61 2k50 s GLU 15 CO 0.02 -0.56 0.00 0.41 0.95 0.00 0.00 175.26 176.08 2k50 n GLY 16 N 0.49 2.43 3.73 -3.83 0.00 0.70 -4.99 105.19 103.72 2k50 n GLY 16 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 3.35 -0.41 4.61 0.00 -0.81 -4.86 121.76 121.33 2k50 s ALA 17 Ca 0.00 0.19 -0.20 0.00 0.00 0.00 0.00 51.96 51.95 2k50 s ALA 17 Cb 0.00 -2.97 0.02 0.00 0.00 0.00 0.00 23.12 20.17 2k50 s ALA 17 CO 0.00 -0.04 0.59 -2.00 0.00 0.00 0.00 175.76 174.31 2k50 s GLU 18 N 0.50 3.38 -0.04 0.00 2.12 -1.26 -2.31 118.70 121.10 2k50 s GLU 18 Ca 0.38 -0.32 -0.16 0.00 0.36 0.00 0.00 54.97 55.23 2k50 s GLU 18 Cb -0.19 -3.90 0.03 0.00 0.26 0.00 0.00 34.13 30.33 2k50 s GLU 18 CO 0.20 -0.88 0.36 -0.08 -0.54 0.00 0.00 175.26 174.31 2k50 s THR 19 N 2.64 0.04 0.38 -1.70 -1.32 -0.57 -4.90 115.64 110.22 2k50 s THR 19 Ca 0.21 -0.36 -0.26 0.00 -1.21 0.00 0.00 61.69 60.06 2k50 s THR 19 Cb -0.15 -0.64 -0.09 0.00 -1.51 0.00 0.00 72.50 70.11 2k50 s THR 19 CO 0.17 -0.20 1.19 -2.16 -2.21 0.00 0.00 174.62 171.41 2k50 s PRO 20 N -1.10 4.15 0.14 7.08 0.04 -1.26 -2.39 135.00 141.66 2k50 s PRO 20 Ca -0.11 1.91 0.09 0.00 0.04 0.00 0.00 61.00 62.92 2k50 s PRO 20 Cb -0.04 -2.79 -0.04 0.00 0.04 0.00 0.00 34.50 31.67 2k50 s PRO 20 CO 0.04 -0.26 -0.21 0.14 0.04 0.00 0.00 177.00 176.76 2k50 s VAL 21 N -1.34 1.88 -0.01 -0.36 -7.23 0.22 -4.56 120.40 108.99 2k50 s VAL 21 Ca 0.55 -1.74 0.05 0.00 -1.81 0.00 0.00 61.98 59.02 2k50 s VAL 21 Cb -0.32 -1.76 -0.01 0.00 0.56 0.00 0.00 36.38 34.84 2k50 s VAL 21 CO 0.41 -0.14 -0.16 -0.89 -0.31 0.00 0.00 175.10 174.02 2k50 s THR 22 N -1.50 1.26 -0.10 5.32 2.01 -1.26 0.25 115.64 121.61 2k50 s THR 22 Ca 0.12 -0.72 -0.30 0.00 0.31 0.00 0.00 61.69 61.10 2k50 s THR 22 Cb -0.08 -1.06 0.12 0.00 0.01 0.00 0.00 72.50 71.48 2k50 s THR 22 CO 0.06 0.33 0.94 -0.83 -0.69 0.00 0.00 174.62 174.43 2k50 s GLY 23 N -0.45 -0.35 -0.33 4.40 0.00 -0.45 -4.69 107.32 105.45 2k50 s GLY 23 Ca 0.06 1.65 -0.24 0.00 0.00 0.00 0.00 44.72 46.19 2k50 s GLY 23 CO -0.00 0.80 0.82 0.50 0.00 0.00 0.00 173.10 175.22 2k50 s ARG 24 N -1.77 3.91 -0.27 2.90 0.52 -0.09 -1.18 118.95 122.97 2k50 s ARG 24 Ca -0.00 0.56 -0.28 0.00 -0.52 0.00 0.00 55.73 55.49 2k50 s ARG 24 Cb -0.01 -3.75 -0.03 0.00 0.52 0.00 0.00 34.95 31.68 2k50 s ARG 24 CO -0.01 -0.76 1.99 0.08 0.02 0.00 0.00 175.30 176.62 2k50 s VAL 25 N 3.09 3.26 -0.16 3.52 1.01 -0.04 -0.46 120.40 130.61 2k50 s VAL 25 Ca 0.34 0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.61 2k50 s VAL 25 Cb -0.14 -3.34 -0.12 0.00 0.00 0.00 0.00 36.38 32.79 2k50 s VAL 25 CO 0.14 -0.21 -0.12 0.80 0.00 0.00 0.00 175.10 175.71 2k50 n MET 26 N 8.55 0.65 -4.43 2.72 1.56 -0.66 -1.62 117.12 123.89 2k50 n MET 26 Ca 0.26 0.08 -0.26 0.00 -0.27 0.00 0.00 57.70 57.51 2k50 n MET 26 Cb 0.46 -1.34 -0.17 0.00 2.15 0.00 0.00 33.22 34.32 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 -2.34 1.78 -0.21 2.12 -0.14 -0.97 -4.83 119.74 115.16 2k50 s LYS 27 Ca -0.20 -0.42 0.02 0.00 -1.36 0.00 0.00 55.97 54.01 2k50 s LYS 27 Cb 0.06 -1.55 0.04 0.00 -1.68 0.00 0.00 37.83 34.69 2k50 s LYS 27 CO 0.42 -0.05 -0.17 0.42 -0.76 0.00 0.00 175.35 175.21 2k50 s ILE 28 N 0.93 2.09 -0.06 2.17 1.01 -1.26 -0.10 121.20 125.98 2k50 s ILE 28 Ca -0.09 -1.20 -0.13 0.00 0.00 0.00 0.00 60.65 59.24 2k50 s ILE 28 Cb -0.15 -2.01 -0.05 0.00 0.01 0.00 0.00 42.46 40.26 2k50 s ILE 28 CO 0.00 0.32 0.32 -0.44 0.00 0.00 0.00 174.94 175.15 2k50 s SER 29 N 1.22 6.64 0.64 3.58 0.01 -0.00 -5.02 113.70 120.77 2k50 s SER 29 Ca -0.00 0.76 -0.18 0.00 1.31 0.00 0.00 55.95 57.84 2k50 s SER 29 Cb -0.16 -2.19 -0.01 0.00 0.21 0.00 0.00 66.02 63.87 2k50 s SER 29 CO -0.10 0.31 1.28 -0.94 0.41 0.00 0.00 173.24 174.19 2k50 s SER 30 N -0.79 4.66 -0.02 2.44 1.04 -1.26 -3.79 113.70 115.98 2k50 s SER 30 Ca 0.20 2.58 -0.30 0.00 0.48 0.00 0.00 55.95 58.92 2k50 s SER 30 Cb -0.15 -2.61 -0.08 0.00 0.10 0.00 0.00 66.02 63.27 2k50 s SER 30 CO 0.09 -1.97 2.03 -0.81 0.98 0.00 0.00 173.24 173.56 2k50 n PRO 31 N -1.91 2.68 -3.39 4.02 -0.04 -1.26 -4.65 135.00 130.45 2k50 n PRO 31 Ca 0.15 0.95 -0.38 0.00 -0.04 0.00 0.00 63.50 64.18 2k50 n PRO 31 Cb 0.48 -3.05 -0.07 0.00 -0.04 0.00 0.00 33.50 30.82 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 4.85 4.24 0.08 0.54 3.52 0.73 -4.84 118.95 128.06 2k50 s ARG 32 Ca 0.92 0.26 -0.17 0.00 -0.13 0.00 0.00 55.73 56.60 2k50 s ARG 32 Cb -0.42 -3.49 -0.07 0.00 -1.56 0.00 0.00 34.95 29.41 2k50 s ARG 32 CO 0.41 0.06 0.54 0.99 -0.81 0.00 0.00 175.30 176.49 2k50 s THR 33 N 0.98 4.81 -0.03 4.11 2.01 -1.26 -1.01 115.64 125.25 2k50 s THR 33 Ca 0.21 1.05 -0.10 0.00 0.31 0.00 0.00 61.69 63.16 2k50 s THR 33 Cb -0.14 -3.82 0.02 0.00 0.01 0.00 0.00 72.50 68.56 2k50 s THR 33 CO 0.08 0.47 0.22 0.72 -0.69 0.00 0.00 174.62 175.42 2k50 s PHE 34 N -1.21 -0.13 -0.54 4.92 -0.12 0.07 -4.95 117.98 116.03 2k50 s PHE 34 Ca 0.31 0.24 -0.25 0.00 -0.05 0.00 0.00 56.93 57.18 2k50 s PHE 34 Cb -0.18 0.04 0.04 0.00 -0.63 0.00 0.00 43.02 42.29 2k50 s PHE 34 CO 0.18 -0.26 1.00 0.99 -0.05 0.00 0.00 175.22 177.07 2k50 s THR 35 N -0.86 4.32 0.09 -4.49 2.01 -1.26 -3.39 115.64 112.06 2k50 s THR 35 Ca -0.09 0.54 -0.03 0.00 0.31 0.00 0.00 61.69 62.41 2k50 s THR 35 Cb -0.05 -4.56 -0.05 0.00 0.01 0.00 0.00 72.50 67.85 2k50 s THR 35 CO 0.02 -1.10 0.29 0.28 -0.69 0.00 0.00 174.62 173.42 2k50 s THR 36 N 4.13 5.28 -2.01 -0.82 -1.32 -1.26 -5.00 115.64 114.64 2k50 s THR 36 Ca 0.35 -0.11 0.27 0.00 -1.21 0.00 0.00 61.69 60.99 2k50 s THR 36 Cb -0.11 -3.62 0.75 0.00 -1.51 0.00 0.00 72.50 68.02 2k50 s THR 36 CO 0.22 0.13 2.02 0.54 -2.21 0.00 0.00 174.62 175.32 2k50 n ARG 37 N 0.34 1.02 -0.02 7.08 1.74 -1.26 -3.73 116.66 121.83 2k50 n ARG 37 Ca -0.05 -0.03 -0.16 0.00 -0.77 0.00 0.00 57.85 56.84 2k50 n ARG 37 Cb 0.52 -1.42 -0.09 0.00 -1.02 0.00 0.00 32.46 30.45 2k50 n ARG 37 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2k50 h LYS 38 N 0.06 0.52 0.00 5.56 1.63 -2.01 -3.48 116.57 118.84 2k50 h LYS 38 Ca 0.00 -0.43 0.00 0.00 -0.85 0.00 0.00 60.65 59.37 2k50 h LYS 38 Cb 0.01 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 2k50 h LYS 38 CO 0.00 1.06 0.00 0.41 -3.45 0.00 0.00 179.45 177.47 2k50 n GLY 39 N 0.74 1.90 3.89 5.01 0.00 -1.24 -5.15 105.19 110.34 2k50 n GLY 39 Ca -0.08 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 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 3.46 0.18 1.61 0.52 -1.26 -4.97 118.95 118.49 2k50 s ARG 40 Ca 0.00 0.40 0.20 0.00 -0.52 0.00 0.00 55.73 55.81 2k50 s ARG 40 Cb 0.00 -2.23 0.87 0.00 0.52 0.00 0.00 34.95 34.10 2k50 s ARG 40 CO 0.00 -0.44 1.62 -0.85 0.02 0.00 0.00 175.30 175.65 2k50 n GLU 41 N -2.52 0.13 -1.18 3.54 0.28 -1.26 -4.22 120.64 115.41 2k50 n GLU 41 Ca 0.03 0.38 0.00 0.00 -0.16 0.00 0.00 57.16 57.42 2k50 n GLU 41 Cb 0.55 -1.76 0.00 0.00 1.43 0.00 0.00 31.44 31.66 2k50 n GLU 41 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k50 n GLY 42 N -0.08 -4.44 3.19 -1.84 0.00 -1.22 -3.24 105.19 97.57 2k50 n GLY 42 Ca 0.02 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.23 0.56 -0.09 1.61 1.02 -1.26 -0.75 119.74 118.60 2k50 s LYS 43 Ca 0.00 -0.18 -0.07 0.00 0.02 0.00 0.00 55.97 55.74 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 -0.14 0.23 -0.48 -0.92 0.00 0.00 175.35 174.04 2k50 s LEU 44 N -1.15 0.93 -0.03 3.17 0.05 -0.18 0.25 118.68 121.73 2k50 s LEU 44 Ca -0.12 0.48 0.05 0.00 0.05 0.00 0.00 54.13 54.58 2k50 s LEU 44 Cb -0.06 0.77 -0.01 0.00 -2.05 0.00 0.00 46.19 44.84 2k50 s LEU 44 CO 0.03 -0.10 -0.17 0.00 -0.55 0.00 0.00 176.35 175.55 2k50 s ALA 45 N 0.43 1.49 -0.36 1.48 0.00 0.82 -0.20 121.76 125.43 2k50 s ALA 45 Ca -0.03 -0.72 -0.09 0.00 0.00 0.00 0.00 51.96 51.11 2k50 s ALA 45 Cb -0.04 -0.43 0.03 0.00 0.00 0.00 0.00 23.12 22.67 2k50 s ALA 45 CO -0.02 0.32 0.17 -0.80 0.00 0.00 0.00 175.76 175.43 2k50 s ASN 46 N -0.20 5.58 -0.25 0.00 0.01 -1.25 -0.52 114.94 118.31 2k50 s ASN 46 Ca 0.02 -0.97 -0.03 0.00 -0.71 0.00 0.00 52.86 51.17 2k50 s ASN 46 Cb -0.09 -1.98 0.01 0.00 0.41 0.00 0.00 41.25 39.61 2k50 s ASN 46 CO 0.01 -0.34 -0.03 -0.69 -1.51 0.00 0.00 177.10 174.54 2k50 s VAL 47 N 1.52 3.24 -0.42 1.60 1.01 -0.15 -0.82 120.40 126.39 2k50 s VAL 47 Ca 0.01 -0.79 -0.20 0.00 0.00 0.00 0.00 61.98 61.00 2k50 s VAL 47 Cb -0.19 -2.60 0.02 0.00 0.00 0.00 0.00 36.38 33.61 2k50 s VAL 47 CO 0.05 0.25 0.59 -0.63 0.00 0.00 0.00 175.10 175.36 2k50 s ILE 48 N 1.41 4.91 -0.03 2.22 -1.09 0.85 -0.46 121.20 129.01 2k50 s ILE 48 Ca 0.02 0.10 -0.00 0.00 -2.23 0.00 0.00 60.65 58.54 2k50 s ILE 48 Cb -0.16 -4.13 -0.04 0.00 -1.58 0.00 0.00 42.46 36.55 2k50 s ILE 48 CO -0.03 -0.49 0.03 0.27 -1.23 0.00 0.00 174.94 173.49 2k50 s ILE 49 N 2.63 4.40 -0.15 2.92 -4.36 -0.68 -1.65 121.20 124.31 2k50 s ILE 49 Ca 0.20 -0.43 0.01 0.00 -0.26 0.00 0.00 60.65 60.18 2k50 s ILE 49 Cb -0.15 -2.94 0.00 0.00 1.25 0.00 0.00 42.46 40.62 2k50 s ILE 49 CO 0.17 0.44 -0.19 0.00 0.24 0.00 0.00 174.94 175.60 2k50 s ALA 50 N -1.06 2.37 0.38 2.27 0.00 0.39 -0.32 121.76 125.78 2k50 s ALA 50 Ca 0.19 -1.08 0.08 0.00 0.00 0.00 0.00 51.96 51.15 2k50 s ALA 50 Cb -0.12 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.85 2k50 s ALA 50 CO 0.09 -0.05 0.22 0.34 0.00 0.00 0.00 175.76 176.36 2k50 s ASP 51 N 0.84 4.74 0.48 0.00 2.15 0.52 -0.91 116.67 124.48 2k50 s ASP 51 Ca -0.06 -0.83 0.21 0.00 0.43 0.00 0.00 52.55 52.30 2k50 s ASP 51 Cb -0.15 -0.64 1.24 0.00 -0.30 0.00 0.00 42.92 43.07 2k50 s ASP 51 CO -0.01 -0.46 1.95 0.44 -0.17 0.00 0.00 175.17 176.92 2k50 h ASP 52 N 1.37 0.19 -0.04 -0.34 5.19 -2.00 -2.16 116.42 118.63 2k50 h ASP 52 Ca -0.43 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.99 2k50 h ASP 52 Cb 1.26 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.74 2k50 h ASP 52 CO 0.63 0.09 0.00 0.35 -3.12 0.00 0.00 179.24 177.20 2k50 n THR 53 N -4.42 0.02 0.00 0.35 -2.24 -1.26 -5.04 114.28 101.69 2k50 n THR 53 Ca 0.13 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2k50 n THR 53 Cb 0.62 1.20 0.00 0.00 -2.10 0.00 0.00 70.33 70.04 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 1.30 2.52 3.90 3.38 0.00 -0.81 -4.17 105.19 111.31 2k50 n GLY 54 Ca 0.16 -1.39 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.99 3.34 0.02 1.61 2.02 -1.26 -0.36 118.70 122.09 2k50 s GLU 55 Ca 0.00 -0.53 0.05 0.00 0.02 0.00 0.00 54.97 54.51 2k50 s GLU 55 Cb 0.00 -2.96 -0.02 0.00 0.10 0.00 0.00 34.13 31.25 2k50 s GLU 55 CO 0.00 0.58 -0.15 -1.17 0.02 0.00 0.00 175.26 174.54 2k50 s LEU 56 N -2.68 2.12 -0.59 1.80 2.96 0.56 -3.97 118.68 118.87 2k50 s LEU 56 Ca 0.34 -0.39 -0.19 0.00 -0.22 0.00 0.00 54.13 53.67 2k50 s LEU 56 Cb -0.12 -0.70 0.10 0.00 0.50 0.00 0.00 46.19 45.97 2k50 s LEU 56 CO 0.27 0.10 0.72 -0.60 -1.32 0.00 0.00 176.35 175.52 2k50 s ARG 57 N -0.84 3.05 -0.41 1.98 3.52 -0.28 -1.68 118.95 124.29 2k50 s ARG 57 Ca 0.04 -1.26 -0.24 0.00 -0.13 0.00 0.00 55.73 54.13 2k50 s ARG 57 Cb -0.07 -4.26 0.02 0.00 -1.56 0.00 0.00 34.95 29.08 2k50 s ARG 57 CO 0.01 -1.55 0.85 0.00 -0.81 0.00 0.00 175.30 173.80 2k50 s ALA 58 N 2.79 3.33 -0.47 6.12 0.00 0.39 -0.57 121.76 133.36 2k50 s ALA 58 Ca 0.12 -0.74 -0.18 0.00 0.00 0.00 0.00 51.96 51.16 2k50 s ALA 58 Cb -0.23 -3.51 0.04 0.00 0.00 0.00 0.00 23.12 19.42 2k50 s ALA 58 CO 0.07 -1.78 0.55 0.08 0.00 0.00 0.00 175.76 174.67 2k50 s VAL 59 N 3.42 4.97 -0.54 0.00 1.01 -0.22 -0.97 120.40 128.06 2k50 s VAL 59 Ca 0.34 -0.41 -0.20 0.00 0.00 0.00 0.00 61.98 61.71 2k50 s VAL 59 Cb -0.12 -4.19 0.06 0.00 0.00 0.00 0.00 36.38 32.14 2k50 s VAL 59 CO 0.21 -0.63 0.73 -0.36 0.00 0.00 0.00 175.10 175.06 2k50 s PHE 60 N 2.41 2.95 0.69 5.22 0.40 0.32 -2.82 117.98 127.16 2k50 s PHE 60 Ca 0.14 -0.50 -0.11 0.00 -0.60 0.00 0.00 56.93 55.87 2k50 s PHE 60 Cb -0.18 -3.79 0.00 0.00 0.51 0.00 0.00 43.02 39.57 2k50 s PHE 60 CO 0.13 -1.19 1.06 -1.58 0.70 0.00 0.00 175.22 174.34 2k50 s TRP 61 N 3.04 3.26 0.46 0.36 0.52 -1.26 -0.13 118.94 125.19 2k50 s TRP 61 Ca 0.18 1.27 0.38 0.00 0.02 0.00 0.00 56.10 57.96 2k50 s TRP 61 Cb -0.18 -2.90 1.50 0.00 -1.15 0.00 0.00 33.47 30.74 2k50 s TRP 61 CO 0.12 -1.14 1.46 -2.37 0.02 0.00 0.00 176.95 175.04 2k50 n THR 62 N -3.04 -0.13 -0.17 2.01 5.66 0.14 0.55 114.28 119.30 2k50 n THR 62 Ca 0.07 1.55 -0.08 0.00 -3.05 0.00 0.00 64.05 62.54 2k50 n THR 62 Cb 0.55 -2.56 0.01 0.00 -1.55 0.00 0.00 70.33 66.77 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 0.74 -0.22 1.09 4.39 -1.91 -3.23 114.58 115.44 2k50 h GLU 63 Ca 0.85 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 60.41 2k50 h GLU 63 Cb 3.06 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 31.60 2k50 h GLU 63 CO -0.24 0.67 0.00 0.09 -1.16 0.00 0.00 179.01 178.37 2k50 n ASN 64 N -4.55 2.65 -0.08 1.42 4.13 0.19 -4.29 115.26 114.73 2k50 n ASN 64 Ca 0.01 -1.86 0.19 0.00 1.68 0.00 0.00 54.58 54.60 2k50 n ASN 64 Cb 0.17 -0.13 0.62 0.00 -1.54 0.00 0.00 39.78 38.89 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 3.66 0.75 0.00 2.41 1.08 -1.48 0.05 117.51 123.97 2k50 h ILE 65 Ca 0.00 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 2k50 h ILE 65 Cb 0.80 0.56 0.00 0.00 -3.07 0.00 0.00 36.82 35.10 2k50 h ILE 65 CO 0.00 0.03 0.01 0.07 -0.69 0.00 0.00 178.15 177.57 2k50 h LYS 66 N 0.17 0.00 0.00 2.37 2.10 -1.83 -1.94 116.57 117.44 2k50 h LYS 66 Ca 0.31 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.89 2k50 h LYS 66 Cb 1.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.32 2k50 h LYS 66 CO -0.05 0.00 -0.92 -0.07 -2.00 0.00 0.00 179.45 176.41 2k50 h LEU 67 N 0.00 0.00 -1.93 7.07 3.38 -1.31 -3.36 115.31 119.16 2k50 h LEU 67 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2k50 h LEU 67 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2k50 h LEU 67 CO 0.00 0.27 0.13 -0.07 0.09 0.00 0.00 178.44 178.85 2k50 h LEU 68 N 0.00 0.08 0.00 1.67 3.38 -1.47 -1.31 115.31 117.66 2k50 h LEU 68 Ca -0.05 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2k50 h LEU 68 Cb 1.25 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2k50 h LEU 68 CO 0.03 0.06 0.00 2.29 0.09 0.00 0.00 178.44 180.90 2k50 n LYS 69 N -4.50 0.22 -0.02 1.13 2.85 -1.26 -3.46 118.16 113.12 2k50 n LYS 69 Ca 0.01 0.12 -0.17 0.00 -1.05 0.00 0.00 58.31 57.22 2k50 n LYS 69 Cb 0.19 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 32.94 2k50 n LYS 69 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 2k50 h LYS 70 N 0.00 0.12 -6.11 -1.58 1.57 -1.50 -3.48 116.57 105.58 2k50 h LYS 70 Ca 0.00 -0.20 -0.53 0.00 -1.87 0.00 0.00 60.65 58.05 2k50 h LYS 70 Cb 0.20 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.52 2k50 h LYS 70 CO 0.00 1.10 -0.49 -0.59 -0.57 0.00 0.00 179.45 178.89 2k50 s PHE 71 N -2.31 2.75 0.35 -1.35 -0.71 -1.22 -5.13 117.98 110.37 2k50 s PHE 71 Ca -0.17 -0.39 0.08 0.00 -1.04 0.00 0.00 56.93 55.41 2k50 s PHE 71 Cb -0.01 -1.76 -0.04 0.00 -1.21 0.00 0.00 43.02 40.00 2k50 s PHE 71 CO 0.74 0.24 0.21 1.03 -1.34 0.00 0.00 175.22 176.11 2k50 s ARG 72 N -3.92 2.47 -1.16 1.99 0.52 -1.26 -4.99 118.95 112.59 2k50 s ARG 72 Ca 0.40 -1.51 -0.20 0.00 -0.52 0.00 0.00 55.73 53.90 2k50 s ARG 72 Cb -0.03 -2.26 -0.05 0.00 0.52 0.00 0.00 34.95 33.13 2k50 s ARG 72 CO 0.24 0.05 1.91 -1.91 0.02 0.00 0.00 175.30 175.61 2k50 n GLU 73 N -1.26 2.13 0.00 3.54 2.13 -1.26 -2.59 120.64 123.32 2k50 n GLU 73 Ca -0.02 -2.58 0.00 0.00 0.66 0.00 0.00 57.16 55.22 2k50 n GLU 73 Cb 0.61 -3.47 0.00 0.00 0.27 0.00 0.00 31.44 28.85 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 5.28 0.15 3.82 8.31 0.00 -0.64 -4.87 105.19 117.24 2k50 n GLY 74 Ca 0.48 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.18 2k50 n GLY 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k50 s ASP 75 N 0.00 5.66 -0.23 1.61 1.01 -1.07 -4.59 116.67 119.06 2k50 s ASP 75 Ca 0.00 1.67 -0.19 0.00 0.71 0.00 0.00 52.55 54.75 2k50 s ASP 75 Cb 0.00 -2.51 -0.03 0.00 1.01 0.00 0.00 42.92 41.39 2k50 s ASP 75 CO 0.00 -1.25 0.55 -0.69 0.21 0.00 0.00 175.17 173.98 2k50 s VAL 76 N -2.81 5.07 0.18 -1.27 1.01 -1.25 -0.86 120.40 120.47 2k50 s VAL 76 Ca 0.60 0.98 0.09 0.00 0.00 0.00 0.00 61.98 63.64 2k50 s VAL 76 Cb -0.14 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 2k50 s VAL 76 CO 0.47 0.11 -0.09 0.27 0.00 0.00 0.00 175.10 175.86 2k50 s ILE 77 N 2.04 3.21 -0.23 2.22 -4.36 -0.33 -0.24 121.20 123.51 2k50 s ILE 77 Ca 0.24 -1.65 0.01 0.00 -0.26 0.00 0.00 60.65 58.99 2k50 s ILE 77 Cb -0.16 -2.59 0.06 0.00 1.25 0.00 0.00 42.46 41.02 2k50 s ILE 77 CO 0.09 -0.11 -0.07 -0.60 0.24 0.00 0.00 174.94 174.50 2k50 s ARG 78 N -2.83 1.73 -0.21 0.37 3.52 0.12 -1.34 118.95 120.31 2k50 s ARG 78 Ca 0.25 -0.98 -0.18 0.00 -0.13 0.00 0.00 55.73 54.69 2k50 s ARG 78 Cb -0.09 -2.57 -0.03 0.00 -1.56 0.00 0.00 34.95 30.70 2k50 s ARG 78 CO 0.15 -0.57 0.49 0.42 -0.81 0.00 0.00 175.30 174.99 2k50 s ILE 79 N 1.38 5.12 -0.18 4.11 1.01 0.14 -0.85 121.20 131.93 2k50 s ILE 79 Ca -0.05 0.90 -0.17 0.00 0.00 0.00 0.00 60.65 61.33 2k50 s ILE 79 Cb -0.18 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 2k50 s ILE 79 CO -0.06 0.18 0.45 -0.75 0.00 0.00 0.00 174.94 174.75 2k50 s LYS 80 N 1.64 4.22 -0.34 2.79 2.20 0.10 -0.61 119.74 129.74 2k50 s LYS 80 Ca 0.23 0.32 -0.05 0.00 -0.36 0.00 0.00 55.97 56.11 2k50 s LYS 80 Cb -0.15 -3.51 0.01 0.00 -1.51 0.00 0.00 37.83 32.66 2k50 s LYS 80 CO 0.09 -0.01 0.18 -0.25 -0.36 0.00 0.00 175.35 175.00 2k50 n ASP 81 N 4.32 -7.99 -4.24 1.43 8.00 -1.26 -3.82 116.55 112.99 2k50 n ASP 81 Ca -0.07 1.17 -0.14 0.00 0.71 0.00 0.00 54.79 56.46 2k50 n ASP 81 Cb 0.51 -5.34 -0.10 0.00 -0.02 0.00 0.00 41.12 36.17 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 -1.91 1.14 -0.26 2.53 -7.23 -1.00 -4.44 120.40 109.23 2k50 s VAL 82 Ca 0.07 -2.04 -0.09 0.00 -1.81 0.00 0.00 61.98 58.11 2k50 s VAL 82 Cb -0.02 -1.83 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 2k50 s VAL 82 CO 0.78 -0.75 0.13 0.20 -0.31 0.00 0.00 175.10 175.15 2k50 s ASN 83 N -3.14 5.60 -0.11 4.85 0.02 -0.83 -1.51 114.94 119.82 2k50 s ASN 83 Ca 0.16 -0.10 -0.29 0.00 -1.02 0.00 0.00 52.86 51.61 2k50 s ASN 83 Cb 0.02 -2.03 -0.01 0.00 0.02 0.00 0.00 41.25 39.26 2k50 s ASN 83 CO 0.00 -0.04 1.00 -0.63 0.02 0.00 0.00 177.10 177.45 2k50 s ILE 84 N 1.65 4.79 -0.19 0.60 -1.09 -0.98 -1.29 121.20 124.69 2k50 s ILE 84 Ca 0.07 2.02 0.14 0.00 -2.23 0.00 0.00 60.65 60.64 2k50 s ILE 84 Cb -0.15 -4.30 -0.21 0.00 -1.58 0.00 0.00 42.46 36.21 2k50 s ILE 84 CO 0.07 -0.00 0.02 0.54 -1.23 0.00 0.00 174.94 174.34 2k50 n ARG 85 N 5.07 0.93 -1.57 2.79 5.12 -0.48 -0.22 116.66 128.30 2k50 n ARG 85 Ca 0.09 0.02 -0.00 0.00 -1.93 0.00 0.00 57.85 56.02 2k50 n ARG 85 Cb 0.49 -1.47 -0.00 0.00 -1.16 0.00 0.00 32.46 30.31 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 1.96 -3.00 3.66 -0.13 0.00 -1.09 -4.71 105.19 101.88 2k50 n GLY 86 Ca -0.32 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.08 1.47 0.41 -0.02 0.00 -1.24 -4.71 107.32 103.16 2k50 s GLY 87 Ca -0.01 1.22 0.07 0.00 0.00 0.00 0.00 44.72 46.01 2k50 s GLY 87 CO 0.05 3.29 2.06 -2.75 0.00 0.00 0.00 173.10 175.76 2k50 h PHE 88 N 10.01 0.49 -0.05 1.90 3.57 -1.92 -3.34 116.94 127.59 2k50 h PHE 88 Ca -0.46 0.01 -0.67 0.00 3.53 0.00 0.00 57.97 60.38 2k50 h PHE 88 Cb 1.22 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.79 2k50 h PHE 88 CO 0.91 0.31 2.65 0.41 -2.23 0.00 0.00 178.31 180.36 2k50 n GLY 89 N -1.47 3.38 5.58 2.40 0.00 -1.26 -4.76 105.19 109.06 2k50 n GLY 89 Ca 0.03 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.64 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 4.41 1.89 3.76 -0.02 0.00 -1.25 -4.86 105.19 109.11 2k50 n GLY 90 Ca 0.51 0.13 -0.39 0.00 0.00 0.00 0.00 46.02 46.26 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 4.41 0.72 1.61 0.52 -1.26 -4.95 118.95 120.01 2k50 s ARG 91 Ca 0.00 0.92 -0.12 0.00 -0.52 0.00 0.00 55.73 56.01 2k50 s ARG 91 Cb 0.00 -3.34 0.18 0.00 0.52 0.00 0.00 34.95 32.31 2k50 s ARG 91 CO 0.00 0.36 0.71 1.63 0.02 0.00 0.00 175.30 178.02 2k50 n LYS 92 N 2.63 -1.95 -3.78 3.54 5.02 -1.25 -3.59 118.16 118.78 2k50 n LYS 92 Ca -0.05 -1.13 -0.13 0.00 -2.02 0.00 0.00 58.31 54.99 2k50 n LYS 92 Cb 0.50 -0.97 -0.09 0.00 -0.02 0.00 0.00 35.03 34.45 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 -4.60 0.56 -0.06 1.97 -1.05 -1.26 -1.12 118.70 113.14 2k50 s GLU 93 Ca 0.45 -0.06 0.02 0.00 -0.15 0.00 0.00 54.97 55.22 2k50 s GLU 93 Cb -0.04 0.25 0.02 0.00 -0.44 0.00 0.00 34.13 33.92 2k50 s GLU 93 CO 0.33 -0.14 -0.09 0.00 0.95 0.00 0.00 175.26 176.32 2k50 s ALA 94 N -0.95 1.01 -0.19 -0.84 0.00 0.27 -1.38 121.76 119.67 2k50 s ALA 94 Ca -0.10 -0.27 -0.09 0.00 0.00 0.00 0.00 51.96 51.50 2k50 s ALA 94 Cb -0.05 -0.53 -0.05 0.00 0.00 0.00 0.00 23.12 22.50 2k50 s ALA 94 CO 0.03 0.02 0.10 -1.01 0.00 0.00 0.00 175.76 174.90 2k50 s HIS 95 N 0.84 3.34 0.62 0.00 3.76 -0.41 -1.05 115.29 122.39 2k50 s HIS 95 Ca -0.12 0.21 -0.08 0.00 -0.15 0.00 0.00 55.06 54.93 2k50 s HIS 95 Cb -0.15 -2.11 0.01 0.00 1.11 0.00 0.00 32.58 31.43 2k50 s HIS 95 CO 0.01 0.24 0.96 -0.51 -0.85 0.00 0.00 174.74 174.60 2k50 s LEU 96 N 0.32 3.15 0.23 0.89 1.02 -1.13 -1.97 118.68 121.19 2k50 s LEU 96 Ca 0.06 0.88 0.11 0.00 0.02 0.00 0.00 54.13 55.20 2k50 s LEU 96 Cb -0.12 -3.71 -0.05 0.00 0.02 0.00 0.00 46.19 42.33 2k50 s LEU 96 CO -0.01 -1.12 -0.21 -0.04 0.02 0.00 0.00 176.35 174.99 2k50 s MET 97 N -5.10 1.57 0.43 1.70 -1.94 -1.26 -4.81 119.30 109.89 2k50 s MET 97 Ca 0.55 -1.64 0.26 0.00 -1.71 0.00 0.00 55.69 53.14 2k50 s MET 97 Cb -0.11 -1.74 1.29 0.00 2.01 0.00 0.00 34.83 36.28 2k50 s MET 97 CO 0.47 0.35 1.72 -1.35 -0.01 0.00 0.00 175.02 176.20 2k50 h PRO 98 N 2.72 0.22 0.00 2.03 0.11 -1.97 0.13 132.00 135.23 2k50 h PRO 98 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2k50 h PRO 98 Cb 1.23 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2k50 h PRO 98 CO 0.55 0.14 -0.62 0.54 -0.21 0.00 0.00 178.00 178.40 2k50 n ARG 99 N -4.58 0.01 -1.81 1.05 1.74 -1.26 -4.87 116.66 106.94 2k50 n ARG 99 Ca 0.30 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.96 2k50 n ARG 99 Cb 1.15 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 31.05 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 -3.03 6.52 0.19 0.55 0.01 0.43 -5.01 113.70 113.37 2k50 s SER 100 Ca 0.10 2.59 0.07 0.00 1.31 0.00 0.00 55.95 60.02 2k50 s SER 100 Cb 0.17 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 2k50 s SER 100 CO 0.74 -0.96 0.06 0.42 0.41 0.00 0.00 173.24 173.91 2k50 s THR 101 N 3.20 3.98 -0.13 1.44 -4.23 -1.25 -4.85 115.64 113.81 2k50 s THR 101 Ca 0.79 -1.39 0.02 0.00 -1.18 0.00 0.00 61.69 59.94 2k50 s THR 101 Cb -0.42 -3.04 -0.00 0.00 1.34 0.00 0.00 72.50 70.38 2k50 s THR 101 CO 0.35 -0.17 -0.20 0.68 -0.54 0.00 0.00 174.62 174.74 2k50 s VAL 102 N -1.85 2.36 -0.09 2.29 -7.23 -1.26 -0.72 120.40 113.90 2k50 s VAL 102 Ca 0.29 -0.90 0.02 0.00 -1.81 0.00 0.00 61.98 59.59 2k50 s VAL 102 Cb -0.09 -1.95 -0.02 0.00 0.56 0.00 0.00 36.38 34.89 2k50 s VAL 102 CO 0.21 0.54 -0.15 -1.83 -0.31 0.00 0.00 175.10 173.55 2k50 s GLU 103 N 0.54 2.92 0.12 4.82 -1.05 -0.03 -4.93 118.70 121.10 2k50 s GLU 103 Ca -0.12 -0.72 -0.27 0.00 -0.15 0.00 0.00 54.97 53.71 2k50 s GLU 103 Cb -0.17 -2.46 -0.07 0.00 -0.44 0.00 0.00 34.13 31.00 2k50 s GLU 103 CO 0.04 0.39 0.83 0.14 0.95 0.00 0.00 175.26 177.61 2k50 s VAL 104 N -0.14 4.49 0.34 1.83 -7.23 -1.26 0.10 120.40 118.54 2k50 s VAL 104 Ca -0.02 1.79 0.09 0.00 -1.81 0.00 0.00 61.98 62.03 2k50 s VAL 104 Cb -0.14 -4.19 -0.05 0.00 0.56 0.00 0.00 36.38 32.56 2k50 s VAL 104 CO 0.04 0.42 0.02 -0.76 -0.31 0.00 0.00 175.10 174.51 2k50 s LEU 105 N -0.52 3.00 0.00 1.32 1.43 0.67 -3.59 118.68 120.99 2k50 s LEU 105 Ca 0.40 -0.97 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 2k50 s LEU 105 Cb -0.22 -1.38 0.00 0.00 0.03 0.00 0.00 46.19 44.62 2k50 s LEU 105 CO 0.26 -0.23 0.00 -0.67 0.23 0.00 0.00 176.35 175.94 2k50 n ASP 106 N -0.96 0.00 0.00 2.29 2.03 -1.26 -3.76 116.55 114.88 2k50 n ASP 106 Ca -0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.27 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 -0.81 -1.92 0.00 0.00 177.20 174.47 2k50 n PRO 107 N 0.00 3.06 -3.64 -0.67 -0.04 -1.26 -5.14 135.00 127.31 2k50 n PRO 107 Ca 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.41 2k50 n PRO 107 Cb 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.39 2k50 n PRO 107 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2k50 s LEU 108 N 0.00 -0.25 -0.07 1.53 1.98 -1.26 -5.05 118.68 115.56 2k50 s LEU 108 Ca 0.00 0.48 -0.22 0.00 -2.89 0.00 0.00 54.13 51.50 2k50 s LEU 108 Cb 0.00 1.48 -0.18 0.00 0.66 0.00 0.00 46.19 48.15 2k50 s LEU 108 CO 0.00 -0.08 0.85 -0.33 -1.89 0.00 0.00 176.35 174.90 2k50 h GLU 109 N 3.90 -0.11 0.00 1.98 4.39 -1.95 -3.49 114.58 119.29 2k50 h GLU 109 Ca -0.28 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.43 2k50 h GLU 109 Cb 1.19 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2k50 h GLU 109 CO 0.15 0.43 0.00 1.58 -1.16 0.00 0.00 179.01 180.01