#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1id2 n ASP 2 N 0.00 0.98 -0.10 1.08 9.92 -1.26 -4.99 116.55 122.18 1id2 n ASP 2 Ca 0.00 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.39 1id2 n ASP 2 Cb 0.00 0.00 0.47 0.00 -0.64 0.00 0.00 41.12 40.95 1id2 n ASP 2 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1id2 n LYS 3 N 0.00 0.46 -4.43 -1.24 5.02 -0.77 -4.90 118.16 112.30 1id2 n LYS 3 Ca 0.00 -0.20 -0.21 0.00 -2.02 0.00 0.00 58.31 55.88 1id2 n LYS 3 Cb 0.00 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.41 1id2 n LYS 3 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1id2 s ILE 4 N -2.68 1.66 -0.05 -0.18 -4.36 -1.26 -0.67 121.20 113.66 1id2 s ILE 4 Ca 0.21 -2.13 -0.02 0.00 -0.26 0.00 0.00 60.65 58.46 1id2 s ILE 4 Cb 0.19 -2.44 0.04 0.00 1.25 0.00 0.00 42.46 41.50 1id2 s ILE 4 CO 0.55 -0.31 0.09 -0.89 0.24 0.00 0.00 174.94 174.62 1id2 s THR 5 N -3.00 -0.08 -0.46 8.37 2.01 -0.44 -4.91 115.64 117.13 1id2 s THR 5 Ca 0.29 0.24 -0.17 0.00 0.31 0.00 0.00 61.69 62.36 1id2 s THR 5 Cb 0.03 -0.17 0.05 0.00 0.01 0.00 0.00 72.50 72.42 1id2 s THR 5 CO 0.12 0.10 0.45 -0.69 -0.69 0.00 0.00 174.62 173.90 1id2 s VAL 6 N 1.33 5.12 0.27 3.82 1.01 -1.26 -1.41 120.40 129.29 1id2 s VAL 6 Ca -0.07 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.20 1id2 s VAL 6 Cb -0.12 -4.12 0.08 0.00 0.00 0.00 0.00 36.38 32.21 1id2 s VAL 6 CO -0.04 -0.57 1.73 0.71 0.00 0.00 0.00 175.10 176.93 1id2 h THR 7 N 5.76 1.25 -3.32 3.92 1.35 -1.98 -3.40 112.91 116.50 1id2 h THR 7 Ca -0.28 -1.17 -0.51 0.00 -0.55 0.00 0.00 66.41 63.90 1id2 h THR 7 Cb 1.11 1.20 -0.35 0.00 -1.73 0.00 0.00 68.15 68.38 1id2 h THR 7 CO 0.86 0.38 -0.80 -0.55 -0.25 0.00 0.00 175.52 175.16 1id2 s SER 8 N -6.77 1.85 0.20 5.36 0.15 -1.26 -5.04 113.70 108.19 1id2 s SER 8 Ca -0.08 -0.28 0.08 0.00 0.70 0.00 0.00 55.95 56.38 1id2 s SER 8 Cb 0.14 -0.78 0.08 0.00 -1.71 0.00 0.00 66.02 63.75 1id2 s SER 8 CO 0.80 -0.05 1.45 -0.08 1.20 0.00 0.00 173.24 176.56 1id2 h GLU 9 N 7.54 0.02 -6.98 5.44 4.22 -1.96 -3.44 114.58 119.43 1id2 h GLU 9 Ca -0.31 -0.02 -0.49 0.00 0.08 0.00 0.00 59.36 58.61 1id2 h GLU 9 Cb 1.16 0.01 0.04 0.00 0.50 0.00 0.00 28.75 30.46 1id2 h GLU 9 CO 0.44 0.81 0.45 0.15 -2.18 0.00 0.00 179.01 178.69 1id2 s LYS 10 N -3.19 3.97 0.56 1.92 1.02 -1.26 -4.29 119.74 118.46 1id2 s LYS 10 Ca -0.01 1.65 -0.20 0.00 0.02 0.00 0.00 55.97 57.43 1id2 s LYS 10 Cb 0.11 -2.48 -0.05 0.00 -0.52 0.00 0.00 37.83 34.89 1id2 s LYS 10 CO 0.79 -0.35 1.25 -2.14 -0.92 0.00 0.00 175.35 173.99 1id2 s PRO 11 N -2.59 3.15 0.39 -1.68 0.02 -1.26 -4.95 135.00 128.08 1id2 s PRO 11 Ca 0.60 1.96 0.02 0.00 0.02 0.00 0.00 61.00 63.61 1id2 s PRO 11 Cb -0.26 -2.12 0.02 0.00 0.02 0.00 0.00 34.50 32.17 1id2 s PRO 11 CO 0.31 -1.10 0.20 1.33 -0.33 0.00 0.00 177.00 177.41 1id2 n VAL 12 N -1.21 0.00 -3.01 3.83 0.24 -0.22 -4.87 118.33 113.09 1id2 n VAL 12 Ca 0.12 -1.64 -0.34 0.00 -2.04 0.00 0.00 64.34 60.43 1id2 n VAL 12 Cb 0.48 0.02 -0.06 0.00 -1.47 0.00 0.00 33.84 32.80 1id2 n VAL 12 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1id2 s ALA 13 N -2.60 3.25 0.65 2.33 0.00 -1.26 0.02 121.76 124.15 1id2 s ALA 13 Ca 0.15 0.21 0.35 0.00 0.00 0.00 0.00 51.96 52.67 1id2 s ALA 13 Cb -0.01 -2.92 1.92 0.00 0.00 0.00 0.00 23.12 22.10 1id2 s ALA 13 CO 0.09 0.26 2.12 0.00 0.00 0.00 0.00 175.76 178.24 1id2 h ALA 14 N 2.50 1.35 0.00 0.00 0.00 -1.76 -0.29 119.26 121.06 1id2 h ALA 14 Ca -0.48 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1id2 h ALA 14 Cb 1.18 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1id2 h ALA 14 CO 0.64 -0.22 -0.16 0.00 0.00 0.00 0.00 179.25 179.51 1id2 h ALA 15 N 1.67 1.23 -0.01 0.00 0.00 -1.91 -2.61 119.26 117.62 1id2 h ALA 15 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1id2 h ALA 15 Cb 0.40 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1id2 h ALA 15 CO -0.00 0.20 -0.06 -0.25 0.00 0.00 0.00 179.25 179.14 1id2 n ASP 16 N -3.61 0.88 -4.73 0.00 10.43 -0.12 -4.82 116.55 114.58 1id2 n ASP 16 Ca -0.01 -1.08 -0.41 0.00 2.57 0.00 0.00 54.79 55.85 1id2 n ASP 16 Cb 0.29 0.00 -0.04 0.00 1.84 0.00 0.00 41.12 43.21 1id2 n ASP 16 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1id2 s VAL 17 N -2.19 4.20 0.68 2.53 1.01 -0.99 -5.05 120.40 120.60 1id2 s VAL 17 Ca 0.36 1.84 -0.06 0.00 0.00 0.00 0.00 61.98 64.12 1id2 s VAL 17 Cb 0.21 -4.18 0.05 0.00 0.00 0.00 0.00 36.38 32.46 1id2 s VAL 17 CO 0.40 0.29 0.99 -2.16 0.00 0.00 0.00 175.10 174.62 1id2 s PRO 18 N -0.11 2.37 0.33 2.72 0.04 -1.26 -5.02 135.00 134.07 1id2 s PRO 18 Ca 0.49 -0.19 0.22 0.00 0.04 0.00 0.00 61.00 61.55 1id2 s PRO 18 Cb -0.26 -2.19 0.18 0.00 0.04 0.00 0.00 34.50 32.26 1id2 s PRO 18 CO 0.32 -1.11 1.36 0.00 0.04 0.00 0.00 177.00 177.61 1id2 h ALA 19 N -0.50 0.78 -0.01 8.56 0.00 -1.99 -2.64 119.26 123.45 1id2 h ALA 19 Ca -0.45 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.27 1id2 h ALA 19 Cb 1.30 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1id2 h ALA 19 CO 0.60 0.09 -0.59 0.22 0.00 0.00 0.00 179.25 179.57 1id2 h ASP 20 N 0.00 0.05 -2.74 0.00 1.82 -2.05 -3.48 116.42 110.03 1id2 h ASP 20 Ca -0.01 -0.03 -0.57 0.00 -0.39 0.00 0.00 57.03 56.03 1id2 h ASP 20 Cb 1.05 -0.02 0.19 0.00 0.68 0.00 0.00 39.33 41.24 1id2 h ASP 20 CO 0.01 0.63 -0.74 0.00 -1.61 0.00 0.00 179.24 177.53 1id2 n ALA 21 N -2.44 -2.24 -2.56 -0.78 0.00 -1.00 -4.95 120.51 106.55 1id2 n ALA 21 Ca -0.01 -0.20 -0.41 0.00 0.00 0.00 0.00 53.44 52.82 1id2 n ALA 21 Cb 0.60 -1.66 -0.08 0.00 0.00 0.00 0.00 19.45 18.30 1id2 n ALA 21 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1id2 s VAL 22 N -1.91 5.08 -0.06 0.00 1.01 -1.26 -5.03 120.40 118.23 1id2 s VAL 22 Ca 0.61 0.31 0.04 0.00 0.00 0.00 0.00 61.98 62.94 1id2 s VAL 22 Cb -0.39 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1id2 s VAL 22 CO 0.62 -0.13 -0.17 0.54 0.00 0.00 0.00 175.10 175.96 1id2 s VAL 23 N 2.25 1.48 -0.23 2.92 0.11 -1.26 -0.17 120.40 125.51 1id2 s VAL 23 Ca 0.17 -0.72 -0.05 0.00 -2.93 0.00 0.00 61.98 58.45 1id2 s VAL 23 Cb -0.16 -1.29 -0.02 0.00 -1.53 0.00 0.00 36.38 33.38 1id2 s VAL 23 CO 0.12 0.43 0.00 -0.69 -3.33 0.00 0.00 175.10 171.63 1id2 s VAL 24 N 0.26 3.79 0.36 2.04 1.01 0.16 -4.94 120.40 123.08 1id2 s VAL 24 Ca -0.10 -0.35 -0.10 0.00 0.00 0.00 0.00 61.98 61.43 1id2 s VAL 24 Cb -0.14 -2.74 -0.07 0.00 0.00 0.00 0.00 36.38 33.43 1id2 s VAL 24 CO 0.04 0.40 0.71 -0.83 0.00 0.00 0.00 175.10 175.42 1id2 s GLY 25 N 1.43 2.01 -0.17 4.51 0.00 -1.26 -1.27 107.32 112.57 1id2 s GLY 25 Ca 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.55 1id2 s GLY 25 CO 0.00 -0.05 -0.12 -0.42 0.00 0.00 0.00 173.10 172.50 1id2 s ILE 26 N -2.22 1.58 -0.15 0.90 1.01 -0.40 -0.73 121.20 121.19 1id2 s ILE 26 Ca 0.50 -0.78 -0.15 0.00 0.00 0.00 0.00 60.65 60.22 1id2 s ILE 26 Cb -0.10 -1.56 0.04 0.00 0.01 0.00 0.00 42.46 40.85 1id2 s ILE 26 CO 0.28 0.33 0.43 -0.70 0.00 0.00 0.00 174.94 175.28 1id2 s GLU 27 N 1.46 0.53 -1.30 2.79 2.56 -0.93 -0.77 118.70 123.04 1id2 s GLU 27 Ca 0.02 0.52 -0.05 0.00 0.00 0.00 0.00 54.97 55.46 1id2 s GLU 27 Cb -0.14 0.26 0.01 0.00 2.00 0.00 0.00 34.13 36.26 1id2 s GLU 27 CO -0.10 -0.08 1.07 1.63 -0.56 0.00 0.00 175.26 177.22 1id2 n LYS 28 N 2.66 -7.07 -3.03 4.30 5.02 -1.26 -2.08 118.16 116.68 1id2 n LYS 28 Ca -0.14 0.81 -0.20 0.00 -2.02 0.00 0.00 58.31 56.76 1id2 n LYS 28 Cb 0.57 -5.81 0.04 0.00 -0.02 0.00 0.00 35.03 29.81 1id2 n LYS 28 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1id2 n MET 29 N -4.58 -4.87 -3.58 1.97 2.81 -1.26 -4.98 117.12 102.62 1id2 n MET 29 Ca -0.13 0.79 -0.12 0.00 -1.81 0.00 0.00 57.70 56.43 1id2 n MET 29 Cb 0.61 -5.44 -0.04 0.00 -0.71 0.00 0.00 33.22 27.64 1id2 n MET 29 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1id2 s LYS 30 N -5.68 1.09 -0.18 0.03 -2.85 -0.88 -4.77 119.74 106.50 1id2 s LYS 30 Ca 0.32 -0.48 -0.25 0.00 -1.00 0.00 0.00 55.97 54.55 1id2 s LYS 30 Cb -0.14 0.49 -0.01 0.00 -2.06 0.00 0.00 37.83 36.11 1id2 s LYS 30 CO 0.39 -0.42 0.84 0.71 0.10 0.00 0.00 175.35 176.97 1id2 s TYR 31 N -3.25 3.40 0.13 1.78 2.02 -1.26 -2.19 117.35 117.98 1id2 s TYR 31 Ca -0.01 1.25 0.13 0.00 -0.37 0.00 0.00 57.07 58.07 1id2 s TYR 31 Cb 0.00 -3.03 0.28 0.00 -0.40 0.00 0.00 41.96 38.82 1id2 s TYR 31 CO -0.08 -0.27 1.55 -0.07 -1.57 0.00 0.00 175.55 175.11 1id2 h LEU 32 N 8.46 0.00 -7.32 -1.29 4.07 -1.26 -3.33 115.31 114.64 1id2 h LEU 32 Ca -0.28 0.00 -0.63 0.00 0.08 0.00 0.00 57.88 57.04 1id2 h LEU 32 Cb 1.12 0.00 -0.41 0.00 1.08 0.00 0.00 40.66 42.46 1id2 h LEU 32 CO 0.85 0.60 -0.66 -0.89 -1.08 0.00 0.00 178.44 177.26 1id2 s THR 33 N -3.29 2.30 -0.85 0.22 2.01 -1.26 -4.98 115.64 109.79 1id2 s THR 33 Ca 0.01 -3.06 0.27 0.00 0.31 0.00 0.00 61.69 59.22 1id2 s THR 33 Cb 0.11 -2.61 0.24 0.00 0.01 0.00 0.00 72.50 70.25 1id2 s THR 33 CO 0.75 -0.80 1.79 -2.65 -0.69 0.00 0.00 174.62 173.02 1id2 n PRO 34 N 3.31 0.15 -4.12 4.92 -0.02 -1.25 -4.55 135.00 133.43 1id2 n PRO 34 Ca 0.05 0.11 -0.20 0.00 -2.02 0.00 0.00 63.50 61.44 1id2 n PRO 34 Cb 0.33 -1.66 -0.16 0.00 -0.02 0.00 0.00 33.50 31.99 1id2 n PRO 34 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1id2 s GLU 35 N -3.06 0.82 0.04 -0.52 2.12 -1.26 0.11 118.70 116.95 1id2 s GLU 35 Ca 0.12 -0.09 0.04 0.00 0.36 0.00 0.00 54.97 55.39 1id2 s GLU 35 Cb 0.15 -0.86 -0.02 0.00 0.26 0.00 0.00 34.13 33.66 1id2 s GLU 35 CO 0.58 -0.10 -0.11 0.14 -0.54 0.00 0.00 175.26 175.23 1id2 s VAL 36 N 1.03 0.82 -0.11 3.70 -7.23 -0.76 -5.00 120.40 112.84 1id2 s VAL 36 Ca -0.09 -0.94 0.00 0.00 -1.81 0.00 0.00 61.98 59.14 1id2 s VAL 36 Cb -0.14 -0.78 0.02 0.00 0.56 0.00 0.00 36.38 36.04 1id2 s VAL 36 CO -0.01 -0.13 -0.09 0.28 -0.31 0.00 0.00 175.10 174.84 1id2 s THR 37 N -0.95 1.13 0.50 5.32 -1.32 -1.26 -0.67 115.64 118.39 1id2 s THR 37 Ca -0.02 -0.37 0.01 0.00 -1.21 0.00 0.00 61.69 60.10 1id2 s THR 37 Cb -0.08 -1.12 -0.01 0.00 -1.51 0.00 0.00 72.50 69.78 1id2 s THR 37 CO 0.01 0.38 0.02 0.27 -2.21 0.00 0.00 174.62 173.09 1id2 s ILE 38 N 1.54 1.10 0.23 5.08 -4.36 0.51 -4.95 121.20 120.34 1id2 s ILE 38 Ca 0.03 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.45 1id2 s ILE 38 Cb -0.13 -2.18 -0.03 0.00 1.25 0.00 0.00 42.46 41.36 1id2 s ILE 38 CO -0.07 0.00 0.36 -0.54 0.24 0.00 0.00 174.94 174.93 1id2 s LYS 39 N -3.86 3.45 0.39 0.37 -0.14 -1.26 -0.56 119.74 118.14 1id2 s LYS 39 Ca 0.08 -0.65 -0.26 0.00 -1.36 0.00 0.00 55.97 53.78 1id2 s LYS 39 Cb 0.02 -2.88 -0.09 0.00 -1.68 0.00 0.00 37.83 33.20 1id2 s LYS 39 CO 0.04 0.42 1.26 0.00 -0.76 0.00 0.00 175.35 176.31 1id2 s ALA 40 N -1.95 3.26 0.00 5.17 0.00 -1.26 -2.42 121.76 124.56 1id2 s ALA 40 Ca 0.35 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.46 1id2 s ALA 40 Cb -0.10 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1id2 s ALA 40 CO 0.30 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.76 1id2 n GLY 41 N 0.70 1.35 3.89 0.00 0.00 0.15 -4.96 105.19 106.31 1id2 n GLY 41 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1id2 n GLY 41 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1id2 s GLU 42 N -0.76 3.73 -0.09 1.61 2.12 -1.02 -4.74 118.70 119.56 1id2 s GLU 42 Ca 0.00 0.26 0.01 0.00 0.36 0.00 0.00 54.97 55.60 1id2 s GLU 42 Cb 0.00 -2.52 -0.03 0.00 0.26 0.00 0.00 34.13 31.84 1id2 s GLU 42 CO 0.00 0.11 -0.10 0.99 -0.54 0.00 0.00 175.26 175.72 1id2 s THR 43 N -2.19 3.38 -0.09 -1.70 2.01 -1.26 -1.15 115.64 114.65 1id2 s THR 43 Ca 0.48 -0.58 -0.03 0.00 0.31 0.00 0.00 61.69 61.87 1id2 s THR 43 Cb -0.11 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 69.98 1id2 s THR 43 CO 0.29 0.57 0.02 -0.69 -0.69 0.00 0.00 174.62 174.12 1id2 s VAL 44 N -0.40 4.45 -0.11 3.82 1.01 0.04 -4.26 120.40 124.95 1id2 s VAL 44 Ca 0.05 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.85 1id2 s VAL 44 Cb -0.12 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 1id2 s VAL 44 CO 0.02 0.60 -0.13 -0.31 0.00 0.00 0.00 175.10 175.28 1id2 s TYR 45 N -0.86 2.79 -0.11 5.22 1.51 0.75 -1.41 117.35 125.24 1id2 s TYR 45 Ca 0.13 -0.52 -0.03 0.00 -1.01 0.00 0.00 57.07 55.64 1id2 s TYR 45 Cb -0.11 -1.79 -0.03 0.00 -0.11 0.00 0.00 41.96 39.91 1id2 s TYR 45 CO 0.02 -0.11 0.02 -1.58 -1.11 0.00 0.00 175.55 172.79 1id2 s TRP 46 N 0.08 3.20 -0.14 2.71 0.51 0.31 0.40 118.94 126.00 1id2 s TRP 46 Ca -0.05 0.15 0.00 0.00 -2.12 0.00 0.00 56.10 54.08 1id2 s TRP 46 Cb -0.15 -1.86 0.02 0.00 -0.81 0.00 0.00 33.47 30.68 1id2 s TRP 46 CO 0.04 0.40 -0.13 0.08 -0.51 0.00 0.00 176.95 176.83 1id2 s VAL 47 N -0.59 1.49 -0.29 4.03 1.01 -0.40 -1.17 120.40 124.48 1id2 s VAL 47 Ca 0.10 -0.58 -0.26 0.00 0.00 0.00 0.00 61.98 61.24 1id2 s VAL 47 Cb -0.12 -1.41 0.01 0.00 0.00 0.00 0.00 36.38 34.86 1id2 s VAL 47 CO 0.02 0.45 0.91 0.21 0.00 0.00 0.00 175.10 176.68 1id2 s ASN 48 N 1.51 6.82 0.00 3.32 2.47 -0.54 -1.27 114.94 127.25 1id2 s ASN 48 Ca 0.05 0.93 0.27 0.00 0.42 0.00 0.00 52.86 54.53 1id2 s ASN 48 Cb -0.13 -2.47 0.97 0.00 -1.45 0.00 0.00 41.25 38.18 1id2 s ASN 48 CO -0.10 -0.68 1.70 0.61 -3.72 0.00 0.00 177.10 174.92 1id2 n GLY 49 N 3.92 -0.89 3.32 1.21 0.00 0.05 0.17 105.19 112.97 1id2 n GLY 49 Ca 0.07 -0.32 -0.17 0.00 0.00 0.00 0.00 46.02 45.61 1id2 n GLY 49 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1id2 s GLU 50 N -2.58 1.36 0.46 1.61 -1.05 -1.26 -4.65 118.70 112.59 1id2 s GLU 50 Ca 0.24 -1.71 0.26 0.00 -0.15 0.00 0.00 54.97 53.60 1id2 s GLU 50 Cb 0.19 -0.46 0.81 0.00 -0.44 0.00 0.00 34.13 34.24 1id2 s GLU 50 CO 0.52 -0.19 1.78 -0.39 0.95 0.00 0.00 175.26 177.93 1id2 h VAL 51 N 2.43 0.29 -2.47 1.83 -1.51 -1.93 -2.55 116.25 112.34 1id2 h VAL 51 Ca -0.38 -1.04 -0.53 0.00 -1.23 0.00 0.00 66.70 63.52 1id2 h VAL 51 Cb 1.23 1.82 0.03 0.00 -2.13 0.00 0.00 31.29 32.24 1id2 h VAL 51 CO 0.63 0.13 1.16 -0.32 -1.23 0.00 0.00 177.57 177.95 1id2 s MET 52 N -3.47 4.14 0.28 5.19 0.00 -1.26 -4.63 119.30 119.55 1id2 s MET 52 Ca 0.03 2.57 -0.29 0.00 0.00 0.00 0.00 55.69 58.00 1id2 s MET 52 Cb 0.08 -3.87 -0.10 0.00 0.00 0.00 0.00 34.83 30.94 1id2 s MET 52 CO 0.63 -0.89 1.22 -1.25 0.00 0.00 0.00 175.02 174.73 1id2 s PRO 53 N 3.59 4.48 0.06 4.11 0.04 -1.26 -4.79 135.00 141.23 1id2 s PRO 53 Ca 0.84 2.01 0.01 0.00 0.04 0.00 0.00 61.00 63.89 1id2 s PRO 53 Cb -0.44 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 30.92 1id2 s PRO 53 CO 0.38 -0.04 -0.05 -1.01 0.04 0.00 0.00 177.00 176.32 1id2 s HIS 54 N -0.87 0.64 0.05 0.56 3.76 -0.87 -4.96 115.29 113.61 1id2 s HIS 54 Ca 0.49 -0.83 0.01 0.00 -0.15 0.00 0.00 55.06 54.58 1id2 s HIS 54 Cb -0.36 -0.41 -0.00 0.00 1.11 0.00 0.00 32.58 32.92 1id2 s HIS 54 CO 0.45 -0.21 0.05 0.27 -0.85 0.00 0.00 174.74 174.45 1id2 n ASN 55 N 0.54 -0.14 -4.07 1.40 6.94 -1.26 -0.36 115.26 118.31 1id2 n ASN 55 Ca -0.16 -1.33 -0.25 0.00 -0.02 0.00 0.00 54.58 52.81 1id2 n ASN 55 Cb 0.59 0.30 -0.16 0.00 -2.36 0.00 0.00 39.78 38.15 1id2 n ASN 55 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1id2 s VAL 56 N -2.29 1.23 0.04 3.53 0.11 -1.26 -4.44 120.40 117.33 1id2 s VAL 56 Ca 0.06 -0.57 0.02 0.00 -2.93 0.00 0.00 61.98 58.56 1id2 s VAL 56 Cb 0.00 -1.09 -0.02 0.00 -1.53 0.00 0.00 36.38 33.73 1id2 s VAL 56 CO 0.04 0.37 -0.07 0.00 -3.33 0.00 0.00 175.10 172.11 1id2 s ALA 57 N 0.38 0.51 -0.02 1.54 0.00 0.05 -0.34 121.76 123.88 1id2 s ALA 57 Ca -0.10 -0.78 0.03 0.00 0.00 0.00 0.00 51.96 51.11 1id2 s ALA 57 Cb -0.14 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.06 1id2 s ALA 57 CO 0.03 -0.06 -0.10 -0.06 0.00 0.00 0.00 175.76 175.57 1id2 s PHE 58 N -1.57 1.02 0.87 0.00 0.08 0.25 -1.59 117.98 117.04 1id2 s PHE 58 Ca -0.10 -0.25 -0.12 0.00 0.12 0.00 0.00 56.93 56.59 1id2 s PHE 58 Cb -0.09 -0.71 0.11 0.00 -0.57 0.00 0.00 43.02 41.76 1id2 s PHE 58 CO -0.00 -0.09 1.10 0.15 -0.10 0.00 0.00 175.22 176.27 1id2 s LYS 59 N 0.11 1.51 0.34 0.44 1.02 -1.26 -1.04 119.74 120.86 1id2 s LYS 59 Ca -0.02 0.72 -0.25 0.00 0.02 0.00 0.00 55.97 56.45 1id2 s LYS 59 Cb -0.08 -1.85 -0.14 0.00 -0.52 0.00 0.00 37.83 35.24 1id2 s LYS 59 CO 0.00 -2.04 0.59 1.63 -0.92 0.00 0.00 175.35 174.61 1id2 n LYS 60 N -3.73 0.55 -0.94 1.68 5.02 -1.26 -3.20 118.16 116.28 1id2 n LYS 60 Ca 0.07 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 1id2 n LYS 60 Cb 0.56 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 1id2 n LYS 60 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1id2 n GLY 61 N 1.77 0.59 0.46 0.72 0.00 0.69 -4.91 105.19 104.52 1id2 n GLY 61 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 1id2 n GLY 61 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1id2 n ILE 62 N -2.81 1.08 0.58 -0.61 5.41 -1.19 -4.72 119.36 117.10 1id2 n ILE 62 Ca 0.00 -0.11 0.10 0.00 1.00 0.00 0.00 62.75 63.74 1id2 n ILE 62 Cb 0.00 -1.83 -0.13 0.00 -0.71 0.00 0.00 39.64 36.97 1id2 n ILE 62 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1id2 n VAL 63 N -3.87 0.00 -3.25 1.39 0.24 -1.26 -4.98 118.33 106.60 1id2 n VAL 63 Ca -0.27 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 61.83 1id2 n VAL 63 Cb 0.62 0.63 0.00 0.00 -1.47 0.00 0.00 33.84 33.63 1id2 n VAL 63 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1id2 n GLY 64 N 1.42 0.63 0.09 7.63 0.00 -1.26 -1.86 105.19 111.84 1id2 n GLY 64 Ca 0.01 -0.64 -0.04 0.00 0.00 0.00 0.00 46.02 45.35 1id2 n GLY 64 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1id2 h GLU 65 N 0.00 0.00 -6.19 1.61 4.11 -1.95 0.20 114.58 112.35 1id2 h GLU 65 Ca 0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.36 58.93 1id2 h GLU 65 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1id2 h GLU 65 CO 0.00 0.82 -0.50 -0.51 0.07 0.00 0.00 179.01 178.89 1id2 s ASP 66 N -6.69 5.76 0.72 3.06 1.11 -1.26 -3.28 116.67 116.07 1id2 s ASP 66 Ca 0.01 -0.15 -0.14 0.00 0.18 0.00 0.00 52.55 52.45 1id2 s ASP 66 Cb 0.10 -1.54 0.03 0.00 1.07 0.00 0.00 42.92 42.58 1id2 s ASP 66 CO 0.79 -0.04 1.13 0.00 1.18 0.00 0.00 175.17 178.23 1id2 s ALA 67 N -2.06 2.28 -0.05 5.23 0.00 -1.26 -4.31 121.76 121.58 1id2 s ALA 67 Ca 0.33 0.56 0.05 0.00 0.00 0.00 0.00 51.96 52.89 1id2 s ALA 67 Cb -0.08 -3.35 -0.00 0.00 0.00 0.00 0.00 23.12 19.68 1id2 s ALA 67 CO 0.26 -1.61 -0.19 0.12 0.00 0.00 0.00 175.76 174.33 1id2 s PHE 68 N -2.41 1.93 -0.25 0.00 2.19 -0.21 -4.93 117.98 114.31 1id2 s PHE 68 Ca 0.67 -0.59 -0.00 0.00 0.33 0.00 0.00 56.93 57.34 1id2 s PHE 68 Cb -0.22 -1.30 0.07 0.00 -1.31 0.00 0.00 43.02 40.27 1id2 s PHE 68 CO 0.47 -0.20 0.01 0.50 1.83 0.00 0.00 175.22 177.83 1id2 s ARG 69 N 0.04 1.12 0.99 10.12 3.52 -1.26 -0.59 118.95 132.89 1id2 s ARG 69 Ca -0.05 -0.90 -0.12 0.00 -0.13 0.00 0.00 55.73 54.53 1id2 s ARG 69 Cb -0.13 -2.35 0.18 0.00 -1.56 0.00 0.00 34.95 31.09 1id2 s ARG 69 CO 0.03 -0.72 1.08 0.20 -0.81 0.00 0.00 175.30 175.08 1id2 s GLY 70 N 1.55 1.61 0.50 8.12 0.00 0.54 -5.01 107.32 114.62 1id2 s GLY 70 Ca 0.00 0.02 -0.20 0.00 0.00 0.00 0.00 44.72 44.55 1id2 s GLY 70 CO -0.11 0.57 1.04 -0.54 0.00 0.00 0.00 173.10 174.06 1id2 s GLU 71 N -4.74 3.75 0.05 2.90 2.02 -1.26 -4.61 118.70 116.81 1id2 s GLU 71 Ca 0.66 1.32 -0.30 0.00 0.02 0.00 0.00 54.97 56.66 1id2 s GLU 71 Cb -0.21 -2.09 -0.08 0.00 0.10 0.00 0.00 34.13 31.85 1id2 s GLU 71 CO 0.59 -0.46 1.68 -1.64 0.02 0.00 0.00 175.26 175.45 1id2 s MET 72 N -3.38 4.19 0.13 1.61 -1.94 -1.26 -4.63 119.30 114.02 1id2 s MET 72 Ca 0.66 2.33 -0.26 0.00 -1.71 0.00 0.00 55.69 56.72 1id2 s MET 72 Cb -0.16 -3.70 -0.07 0.00 2.01 0.00 0.00 34.83 32.92 1id2 s MET 72 CO 0.22 -0.77 0.79 -1.64 -0.01 0.00 0.00 175.02 173.61 1id2 s MET 73 N 2.98 4.56 0.00 2.03 -1.94 0.51 -4.80 119.30 122.64 1id2 s MET 73 Ca 0.75 1.16 0.00 0.00 -1.71 0.00 0.00 55.69 55.89 1id2 s MET 73 Cb -0.39 -3.30 0.00 0.00 2.01 0.00 0.00 34.83 33.15 1id2 s MET 73 CO 0.33 0.47 0.00 0.25 -0.01 0.00 0.00 175.02 176.06 1id2 n THR 74 N 1.98 0.00 -1.70 2.05 -2.24 -1.26 -2.05 114.28 111.06 1id2 n THR 74 Ca -0.04 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.30 1id2 n THR 74 Cb 0.49 -0.85 -0.03 0.00 -2.10 0.00 0.00 70.33 67.84 1id2 n THR 74 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1id2 n LYS 75 N -0.84 2.35 -1.88 -0.78 4.81 -0.96 -1.53 118.16 119.33 1id2 n LYS 75 Ca 0.00 0.84 -0.19 0.00 -0.87 0.00 0.00 58.31 58.09 1id2 n LYS 75 Cb 0.00 -2.58 -0.05 0.00 0.02 0.00 0.00 35.03 32.41 1id2 n LYS 75 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1id2 n ASP 76 N 2.68 -5.25 -4.96 3.14 10.43 0.45 -4.96 116.55 118.09 1id2 n ASP 76 Ca 0.12 0.30 -0.22 0.00 2.57 0.00 0.00 54.79 57.57 1id2 n ASP 76 Cb 0.33 -4.56 -0.00 0.00 1.84 0.00 0.00 41.12 38.73 1id2 n ASP 76 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 1id2 s GLN 77 N -4.17 3.23 0.11 -1.24 -0.21 -0.58 -2.57 119.66 114.23 1id2 s GLN 77 Ca 0.00 -0.58 0.04 0.00 0.02 0.00 0.00 55.36 54.84 1id2 s GLN 77 Cb 0.00 -2.67 -0.04 0.00 1.00 0.00 0.00 33.01 31.30 1id2 s GLN 77 CO 0.00 -0.02 -0.10 0.00 -2.12 0.00 0.00 175.29 173.05 1id2 s ALA 78 N -2.36 1.18 -0.02 6.09 0.00 0.10 -1.47 121.76 125.28 1id2 s ALA 78 Ca 0.44 -1.27 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 1id2 s ALA 78 Cb -0.10 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.08 1id2 s ALA 78 CO 0.35 -0.06 0.05 -0.47 0.00 0.00 0.00 175.76 175.63 1id2 s TYR 79 N -2.71 -0.04 -0.06 0.00 6.14 -0.32 -1.06 117.35 119.31 1id2 s TYR 79 Ca 0.08 0.14 0.04 0.00 0.64 0.00 0.00 57.07 57.98 1id2 s TYR 79 Cb -0.01 -0.06 -0.00 0.00 0.42 0.00 0.00 41.96 42.31 1id2 s TYR 79 CO -0.00 -0.05 -0.19 0.00 0.64 0.00 0.00 175.55 175.95 1id2 s ALA 80 N 0.39 1.68 -0.09 3.97 0.00 -1.26 -0.53 121.76 125.93 1id2 s ALA 80 Ca -0.03 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.21 1id2 s ALA 80 Cb -0.04 -0.60 0.02 0.00 0.00 0.00 0.00 23.12 22.49 1id2 s ALA 80 CO -0.01 0.27 -0.13 0.42 0.00 0.00 0.00 175.76 176.31 1id2 s ILE 81 N 0.20 1.24 -0.21 0.00 1.01 -0.50 -4.35 121.20 118.58 1id2 s ILE 81 Ca -0.09 -0.50 -0.16 0.00 0.00 0.00 0.00 60.65 59.90 1id2 s ILE 81 Cb -0.14 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 1id2 s ILE 81 CO 0.04 0.39 0.39 -0.89 0.00 0.00 0.00 174.94 174.86 1id2 s THR 82 N 0.93 5.20 -0.36 2.92 2.01 -0.50 -0.78 115.64 125.06 1id2 s THR 82 Ca -0.09 0.68 -0.09 0.00 0.31 0.00 0.00 61.69 62.50 1id2 s THR 82 Cb -0.15 -3.72 0.04 0.00 0.01 0.00 0.00 72.50 68.68 1id2 s THR 82 CO 0.00 0.25 0.16 -0.36 -0.69 0.00 0.00 174.62 173.98 1id2 s PHE 83 N 1.38 3.26 -0.40 4.92 0.40 -0.30 -1.32 117.98 125.92 1id2 s PHE 83 Ca 0.18 -1.25 0.22 0.00 -0.60 0.00 0.00 56.93 55.48 1id2 s PHE 83 Cb -0.15 -2.42 -0.08 0.00 0.51 0.00 0.00 43.02 40.89 1id2 s PHE 83 CO 0.08 -0.71 0.88 0.09 0.70 0.00 0.00 175.22 176.26 1id2 n ASN 84 N 4.90 0.53 -4.31 1.36 3.02 0.16 0.34 115.26 121.24 1id2 n ASN 84 Ca -0.12 -0.08 -0.27 0.00 -0.03 0.00 0.00 54.58 54.08 1id2 n ASN 84 Cb 0.45 1.04 -0.14 0.00 -0.61 0.00 0.00 39.78 40.52 1id2 n ASN 84 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1id2 s GLU 85 N -3.31 1.42 0.64 3.52 2.02 -1.20 -4.23 118.70 117.56 1id2 s GLU 85 Ca -0.00 -1.12 -0.18 0.00 0.02 0.00 0.00 54.97 53.69 1id2 s GLU 85 Cb 0.13 -1.67 -0.02 0.00 0.10 0.00 0.00 34.13 32.68 1id2 s GLU 85 CO 0.83 0.41 1.28 0.00 0.02 0.00 0.00 175.26 177.80 1id2 s ALA 86 N -0.94 2.41 0.00 5.21 0.00 -1.26 -4.79 121.76 122.38 1id2 s ALA 86 Ca 0.10 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.22 1id2 s ALA 86 Cb -0.10 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1id2 s ALA 86 CO 0.03 -1.51 0.00 0.41 0.00 0.00 0.00 175.76 174.69 1id2 n GLY 87 N 0.81 1.73 3.62 0.00 0.00 -0.13 -4.94 105.19 106.28 1id2 n GLY 87 Ca 0.15 -1.71 -0.34 0.00 0.00 0.00 0.00 46.02 44.12 1id2 n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1id2 s SER 88 N 0.00 5.42 -0.31 1.61 0.01 -1.26 -0.61 113.70 118.56 1id2 s SER 88 Ca 0.00 0.06 0.02 0.00 1.31 0.00 0.00 55.95 57.34 1id2 s SER 88 Cb 0.00 -1.87 0.09 0.00 0.21 0.00 0.00 66.02 64.46 1id2 s SER 88 CO 0.00 0.21 0.05 -0.31 0.41 0.00 0.00 173.24 173.60 1id2 s TYR 89 N 0.14 2.94 -0.08 2.43 2.02 0.27 -4.97 117.35 120.11 1id2 s TYR 89 Ca 0.03 -2.43 -0.24 0.00 -0.37 0.00 0.00 57.07 54.06 1id2 s TYR 89 Cb -0.13 -2.35 -0.03 0.00 -0.40 0.00 0.00 41.96 39.05 1id2 s TYR 89 CO 0.01 -0.90 0.73 -0.51 -1.57 0.00 0.00 175.55 173.31 1id2 s ASP 90 N 1.19 6.99 0.31 2.29 1.11 -1.26 0.00 116.67 127.30 1id2 s ASP 90 Ca 0.08 1.20 0.04 0.00 0.18 0.00 0.00 52.55 54.05 1id2 s ASP 90 Cb -0.18 -2.42 -0.06 0.00 1.07 0.00 0.00 42.92 41.32 1id2 s ASP 90 CO -0.13 -0.17 0.03 -0.72 1.18 0.00 0.00 175.17 175.36 1id2 s TYR 91 N 1.04 1.91 0.30 4.23 -0.85 -0.10 -4.63 117.35 119.25 1id2 s TYR 91 Ca 0.38 -0.92 -0.06 0.00 -0.52 0.00 0.00 57.07 55.96 1id2 s TYR 91 Cb -0.18 -1.21 -0.00 0.00 0.38 0.00 0.00 41.96 40.95 1id2 s TYR 91 CO 0.18 0.04 0.46 -0.59 -1.52 0.00 0.00 175.55 174.12 1id2 s PHE 92 N -3.27 0.82 -0.19 -3.49 -0.71 -0.62 -1.68 117.98 108.83 1id2 s PHE 92 Ca 0.34 -1.11 -0.11 0.00 -1.04 0.00 0.00 56.93 55.01 1id2 s PHE 92 Cb 0.08 0.00 -0.05 0.00 -1.21 0.00 0.00 43.02 41.84 1id2 s PHE 92 CO 0.14 -1.07 0.18 0.00 -1.34 0.00 0.00 175.22 173.13 1id2 h THR 94 N 4.71 0.97 0.00 0.00 2.02 -1.92 -2.01 112.91 116.69 1id2 h THR 94 Ca -0.41 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1id2 h THR 94 Cb 1.16 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1id2 h THR 94 CO 0.75 0.02 0.00 1.55 0.37 0.00 0.00 175.52 178.21 1id2 h PRO 95 N 0.09 0.00 -2.53 6.66 0.13 -1.95 -3.37 132.00 131.03 1id2 h PRO 95 Ca 0.05 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.58 1id2 h PRO 95 Cb 0.03 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 30.75 1id2 h PRO 95 CO -0.05 0.00 -0.77 0.72 -0.23 0.00 0.00 178.00 177.67 1id2 n HIS 96 N -2.67 1.61 0.73 1.56 8.25 -0.80 -4.96 115.22 118.94 1id2 n HIS 96 Ca 0.04 -3.88 0.09 0.00 -0.26 0.00 0.00 57.72 53.71 1id2 n HIS 96 Cb 0.44 -0.32 0.42 0.00 1.12 0.00 0.00 29.99 31.66 1id2 n HIS 96 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1id2 n PRO 97 N 1.89 0.11 0.10 -0.41 -0.02 -0.94 -0.28 135.00 135.45 1id2 n PRO 97 Ca 0.25 0.15 0.12 0.00 -2.02 0.00 0.00 63.50 62.00 1id2 n PRO 97 Cb 0.43 -1.50 0.45 0.00 -0.02 0.00 0.00 33.50 32.86 1id2 n PRO 97 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 1id2 n PHE 98 N -1.41 0.69 -2.74 6.00 1.16 -1.26 -4.47 117.46 115.43 1id2 n PHE 98 Ca 0.06 0.24 -0.43 0.00 -1.87 0.00 0.00 57.45 55.46 1id2 n PHE 98 Cb 0.19 -0.89 -0.03 0.00 -1.61 0.00 0.00 39.48 37.13 1id2 n PHE 98 CO 0.00 0.00 0.00 -1.64 -1.87 0.00 0.00 176.76 173.25 1id2 s MET 99 N -3.19 3.61 0.10 3.97 -1.94 0.61 -5.03 119.30 117.43 1id2 s MET 99 Ca 0.07 0.32 0.06 0.00 -1.71 0.00 0.00 55.69 54.43 1id2 s MET 99 Cb 0.11 -3.91 -0.03 0.00 2.01 0.00 0.00 34.83 33.00 1id2 s MET 99 CO 0.45 -1.27 -0.15 1.03 -0.01 0.00 0.00 175.02 175.06 1id2 s ARG 100 N 3.99 0.96 0.00 2.03 0.52 -1.26 -1.97 118.95 123.22 1id2 s ARG 100 Ca 0.41 -1.11 0.00 0.00 -0.52 0.00 0.00 55.73 54.51 1id2 s ARG 100 Cb -0.09 -0.97 0.00 0.00 0.52 0.00 0.00 34.95 34.40 1id2 s ARG 100 CO 0.28 0.21 0.00 0.41 0.02 0.00 0.00 175.30 176.22 1id2 n GLY 101 N 0.94 2.49 3.20 -3.53 0.00 -0.68 -4.75 105.19 102.86 1id2 n GLY 101 Ca -0.19 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.63 1id2 n GLY 101 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1id2 s LYS 102 N -1.53 0.49 -0.15 1.61 2.20 0.30 -0.92 119.74 121.73 1id2 s LYS 102 Ca 0.00 0.09 0.01 0.00 -0.36 0.00 0.00 55.97 55.72 1id2 s LYS 102 Cb 0.00 0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.55 1id2 s LYS 102 CO 0.00 -0.10 -0.18 0.08 -0.36 0.00 0.00 175.35 174.79 1id2 s VAL 103 N -0.58 2.47 -0.32 4.02 1.01 0.10 -1.83 120.40 125.26 1id2 s VAL 103 Ca -0.07 -0.84 -0.09 0.00 0.00 0.00 0.00 61.98 60.98 1id2 s VAL 103 Cb -0.04 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.33 1id2 s VAL 103 CO 0.02 0.53 0.13 -0.63 0.00 0.00 0.00 175.10 175.15 1id2 s ILE 104 N 0.77 4.26 -0.20 2.22 1.01 0.16 0.96 121.20 130.38 1id2 s ILE 104 Ca -0.07 -0.72 -0.06 0.00 0.00 0.00 0.00 60.65 59.80 1id2 s ILE 104 Cb -0.16 -3.27 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 1id2 s ILE 104 CO 0.00 -0.04 0.04 -0.69 0.00 0.00 0.00 174.94 174.25 1id2 s VAL 105 N 1.53 4.37 -1.79 2.92 1.01 0.22 -0.36 120.40 128.30 1id2 s VAL 105 Ca 0.02 -0.17 0.14 0.00 0.00 0.00 0.00 61.98 61.98 1id2 s VAL 105 Cb -0.18 -2.99 0.11 0.00 0.00 0.00 0.00 36.38 33.32 1id2 s VAL 105 CO 0.05 0.42 0.95 -0.62 0.00 0.00 0.00 175.10 175.90