#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m7t s VAL 2 N 0.00 2.39 -0.11 1.12 1.01 -1.24 -4.82 120.40 118.75 1m7t s VAL 2 Ca 0.00 0.30 -0.04 0.00 0.00 0.00 0.00 61.98 62.24 1m7t s VAL 2 Cb 0.00 -3.16 0.05 0.00 0.00 0.00 0.00 36.38 33.27 1m7t s VAL 2 CO 0.00 0.01 0.21 -1.59 0.00 0.00 0.00 175.10 173.73 1m7t s LYS 3 N -2.73 0.11 0.01 2.72 -2.85 -1.25 -5.01 119.74 110.73 1m7t s LYS 3 Ca 0.67 0.63 -0.30 0.00 -1.00 0.00 0.00 55.97 55.97 1m7t s LYS 3 Cb -0.38 -0.14 -0.05 0.00 -2.06 0.00 0.00 37.83 35.21 1m7t s LYS 3 CO 0.45 -0.27 1.22 -1.14 0.10 0.00 0.00 175.35 175.72 1m7t s GLN 4 N 2.16 4.38 -0.45 1.78 2.00 -1.26 -3.02 119.66 125.25 1m7t s GLN 4 Ca -0.00 1.76 -0.15 0.00 -2.00 0.00 0.00 55.36 54.97 1m7t s GLN 4 Cb -0.12 -3.46 0.06 0.00 0.80 0.00 0.00 33.01 30.29 1m7t s GLN 4 CO -0.07 -0.37 0.35 0.42 -0.50 0.00 0.00 175.29 175.12 1m7t s ILE 5 N 1.67 5.17 -0.30 -2.34 1.09 0.38 -4.92 121.20 121.95 1m7t s ILE 5 Ca 0.58 -0.95 0.13 0.00 -1.10 0.00 0.00 60.65 59.31 1m7t s ILE 5 Cb -0.28 -4.02 0.76 0.00 -1.06 0.00 0.00 42.46 37.87 1m7t s ILE 5 CO 0.26 -0.48 1.66 1.21 -0.10 0.00 0.00 174.94 177.49 1m7t n GLU 6 N 5.17 4.63 -3.53 2.79 2.13 -1.26 -3.88 120.64 126.68 1m7t n GLU 6 Ca -0.12 -2.93 -0.11 0.00 0.66 0.00 0.00 57.16 54.66 1m7t n GLU 6 Cb 0.45 -2.22 -0.03 0.00 0.27 0.00 0.00 31.44 29.90 1m7t n GLU 6 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1m7t s SER 7 N -0.72 -0.40 0.39 4.31 0.15 -1.26 -4.55 113.70 111.62 1m7t s SER 7 Ca 0.51 -0.15 0.20 0.00 0.70 0.00 0.00 55.95 57.21 1m7t s SER 7 Cb 0.39 0.53 0.72 0.00 -1.71 0.00 0.00 66.02 65.95 1m7t s SER 7 CO 0.15 -0.90 1.75 0.50 1.20 0.00 0.00 173.24 175.93 1m7t h LYS 8 N 2.21 0.00 0.06 5.44 3.64 -1.92 -2.99 116.57 123.01 1m7t h LYS 8 Ca -0.34 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 58.80 1m7t h LYS 8 Cb 1.28 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 1m7t h LYS 8 CO 0.42 0.33 -1.10 1.15 -2.27 0.00 0.00 179.45 177.98 1m7t h THR 9 N 0.00 1.62 -0.62 1.00 2.02 -1.99 -3.30 112.91 111.64 1m7t h THR 9 Ca -0.00 -3.24 -0.09 0.00 0.77 0.00 0.00 66.41 63.85 1m7t h THR 9 Cb 0.87 2.88 -0.02 0.00 -1.74 0.00 0.00 68.15 70.14 1m7t h THR 9 CO 0.04 0.93 0.04 0.00 0.37 0.00 0.00 175.52 176.91 1m7t h ALA 10 N 0.81 0.90 -0.60 6.16 0.00 -1.93 -1.21 119.26 123.39 1m7t h ALA 10 Ca -0.07 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.59 1m7t h ALA 10 Cb 1.85 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 19.36 1m7t h ALA 10 CO 0.16 0.66 0.35 0.35 0.00 0.00 0.00 179.25 180.77 1m7t h PHE 11 N 0.97 0.64 -0.31 0.00 3.57 -1.61 0.36 116.94 120.56 1m7t h PHE 11 Ca 0.18 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 1m7t h PHE 11 Cb 0.50 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1m7t h PHE 11 CO 0.03 0.34 0.07 1.96 -2.23 0.00 0.00 178.31 178.48 1m7t h GLN 12 N 0.67 0.51 -0.29 1.11 1.08 -1.59 -1.63 115.11 114.96 1m7t h GLN 12 Ca 0.26 -0.13 0.02 0.00 -1.45 0.00 0.00 58.65 57.35 1m7t h GLN 12 Cb 0.10 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.44 1m7t h GLN 12 CO -0.14 0.59 0.13 0.93 -0.95 0.00 0.00 178.83 179.39 1m7t h GLU 13 N 0.34 0.27 -0.11 1.46 5.08 -0.41 -0.90 114.58 120.30 1m7t h GLU 13 Ca 0.10 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1m7t h GLU 13 Cb 0.31 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1m7t h GLU 13 CO 0.00 0.18 -0.16 0.00 -1.00 0.00 0.00 179.01 178.03 1m7t h ALA 14 N 1.16 1.54 -0.31 3.43 0.00 -0.22 -2.41 119.26 122.45 1m7t h ALA 14 Ca 0.12 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 1m7t h ALA 14 Cb 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1m7t h ALA 14 CO -0.10 0.33 -0.41 -0.07 0.00 0.00 0.00 179.25 179.00 1m7t h LEU 15 N 0.17 0.80 -1.56 0.00 3.38 -0.52 -2.22 115.31 115.35 1m7t h LEU 15 Ca 0.03 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 1m7t h LEU 15 Cb 0.38 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1m7t h LEU 15 CO 0.02 1.11 0.12 -0.78 0.09 0.00 0.00 178.44 179.00 1m7t h ASP 16 N 0.61 0.36 1.32 -0.43 1.82 -0.69 -0.31 116.42 119.10 1m7t h ASP 16 Ca 0.05 -0.03 -0.07 0.00 -0.39 0.00 0.00 57.03 56.59 1m7t h ASP 16 Cb 0.96 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.87 1m7t h ASP 16 CO 0.09 0.33 -0.32 0.00 -1.61 0.00 0.00 179.24 177.73 1m7t h ALA 17 N 1.73 0.86 -0.26 -0.78 0.00 -1.25 -3.18 119.26 116.37 1m7t h ALA 17 Ca 0.10 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1m7t h ALA 17 Cb 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1m7t h ALA 17 CO -0.01 0.40 -0.24 0.00 0.00 0.00 0.00 179.25 179.40 1m7t h ALA 18 N 1.68 1.10 -0.86 0.00 0.00 -0.44 -3.47 119.26 117.26 1m7t h ALA 18 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1m7t h ALA 18 Cb 1.07 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1m7t h ALA 18 CO 0.04 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.26 1m7t n GLY 19 N -0.39 3.95 0.92 0.00 0.00 -1.13 -0.58 105.19 107.96 1m7t n GLY 19 Ca -0.00 0.12 0.10 0.00 0.00 0.00 0.00 46.02 46.24 1m7t n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1m7t n ASP 20 N 7.17 2.73 -4.81 1.61 5.75 -1.26 -3.74 116.55 124.00 1m7t n ASP 20 Ca 0.00 -1.91 -0.34 0.00 -0.01 0.00 0.00 54.79 52.53 1m7t n ASP 20 Cb 0.00 -0.24 -0.07 0.00 -1.03 0.00 0.00 41.12 39.78 1m7t n ASP 20 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1m7t s LYS 21 N -1.52 4.30 0.14 0.11 1.02 0.25 -4.87 119.74 119.17 1m7t s LYS 21 Ca 0.36 1.15 -0.30 0.00 0.02 0.00 0.00 55.97 57.20 1m7t s LYS 21 Cb 0.20 -2.32 -0.07 0.00 -0.52 0.00 0.00 37.83 35.12 1m7t s LYS 21 CO 0.28 0.04 1.09 -1.17 -0.92 0.00 0.00 175.35 174.67 1m7t s LEU 22 N -2.93 4.47 -0.31 3.17 2.96 -1.26 -4.58 118.68 120.20 1m7t s LEU 22 Ca 0.59 2.02 -0.03 0.00 -0.22 0.00 0.00 54.13 56.49 1m7t s LEU 22 Cb -0.11 -3.60 0.05 0.00 0.50 0.00 0.00 46.19 43.03 1m7t s LEU 22 CO 0.15 -0.23 0.03 -0.69 -1.32 0.00 0.00 176.35 174.30 1m7t s VAL 23 N 0.02 3.14 -0.31 1.68 1.01 0.49 -0.05 120.40 126.37 1m7t s VAL 23 Ca 0.50 -1.40 -0.10 0.00 0.00 0.00 0.00 61.98 60.99 1m7t s VAL 23 Cb -0.28 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.26 1m7t s VAL 23 CO 0.33 -0.16 0.16 0.54 0.00 0.00 0.00 175.10 175.97 1m7t s VAL 24 N 1.27 4.69 0.31 2.92 0.11 -0.97 0.11 120.40 128.85 1m7t s VAL 24 Ca -0.04 -0.36 0.07 0.00 -2.93 0.00 0.00 61.98 58.73 1m7t s VAL 24 Cb -0.20 -3.38 -0.06 0.00 -1.53 0.00 0.00 36.38 31.21 1m7t s VAL 24 CO -0.01 0.08 -0.05 0.68 -3.33 0.00 0.00 175.10 172.47 1m7t s VAL 25 N 1.63 1.79 -0.06 2.04 -7.23 0.22 -3.16 120.40 115.63 1m7t s VAL 25 Ca 0.05 -2.12 0.02 0.00 -1.81 0.00 0.00 61.98 58.12 1m7t s VAL 25 Cb -0.17 -2.59 0.01 0.00 0.56 0.00 0.00 36.38 34.19 1m7t s VAL 25 CO 0.07 -0.21 -0.11 -0.62 -0.31 0.00 0.00 175.10 173.91 1m7t s ASP 26 N -3.52 1.64 -0.41 4.85 -1.08 -1.22 -0.64 116.67 116.29 1m7t s ASP 26 Ca 0.32 -0.27 -0.16 0.00 -0.52 0.00 0.00 52.55 51.91 1m7t s ASP 26 Cb 0.04 -0.69 0.02 0.00 -1.46 0.00 0.00 42.92 40.83 1m7t s ASP 26 CO 0.14 0.04 0.37 -0.36 0.52 0.00 0.00 175.17 175.88 1m7t s PHE 27 N 0.56 3.20 0.05 -5.34 0.40 0.27 -2.57 117.98 114.55 1m7t s PHE 27 Ca -0.12 -0.47 0.03 0.00 -0.60 0.00 0.00 56.93 55.78 1m7t s PHE 27 Cb -0.14 -2.75 -0.02 0.00 0.51 0.00 0.00 43.02 40.61 1m7t s PHE 27 CO 0.03 -0.64 -0.10 -1.54 0.70 0.00 0.00 175.22 173.67 1m7t s SER 28 N 1.75 1.10 0.28 1.36 1.04 -1.08 -2.50 113.70 115.64 1m7t s SER 28 Ca 0.09 -0.55 0.01 0.00 0.48 0.00 0.00 55.95 55.98 1m7t s SER 28 Cb -0.18 0.00 -0.04 0.00 0.10 0.00 0.00 66.02 65.91 1m7t s SER 28 CO 0.12 -0.15 0.46 0.00 0.98 0.00 0.00 173.24 174.64 1m7t s ALA 29 N -1.29 3.79 0.20 5.32 0.00 -1.26 -2.37 121.76 126.14 1m7t s ALA 29 Ca -0.07 -0.95 -0.05 0.00 0.00 0.00 0.00 51.96 50.89 1m7t s ALA 29 Cb -0.10 -1.99 0.14 0.00 0.00 0.00 0.00 23.12 21.17 1m7t s ALA 29 CO 0.01 0.18 1.58 1.15 0.00 0.00 0.00 175.76 178.68 1m7t h THR 30 N 1.10 1.28 -0.18 0.00 2.02 -1.98 -2.69 112.91 112.46 1m7t h THR 30 Ca -0.50 -1.49 0.00 0.00 0.77 0.00 0.00 66.41 65.20 1m7t h THR 30 Cb 1.21 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 1m7t h THR 30 CO 0.63 0.49 0.00 -2.67 0.37 0.00 0.00 175.52 174.34 1m7t n TRP 31 N -4.06 0.46 -3.14 3.16 4.27 -1.26 -4.90 117.44 111.97 1m7t n TRP 31 Ca -0.01 -0.18 -0.27 0.00 -3.89 0.00 0.00 57.50 53.15 1m7t n TRP 31 Cb 0.49 -0.13 -0.02 0.00 -1.36 0.00 0.00 31.31 30.29 1m7t n TRP 31 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1m7t n GLY 33 N -1.44 -0.27 0.36 0.00 0.00 -1.26 -4.58 105.19 98.00 1m7t n GLY 33 Ca -0.01 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.18 1m7t n GLY 33 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1m7t h PRO 34 N 0.00 0.00 -0.78 1.61 0.11 -1.98 0.47 132.00 131.43 1m7t h PRO 34 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 1m7t h PRO 34 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 1m7t h PRO 34 CO 0.00 0.00 0.47 0.00 -0.21 0.00 0.00 178.00 178.26 1m7t h LYS 36 N 1.08 0.00 0.00 0.00 1.57 -1.14 -2.67 116.57 115.40 1m7t h LYS 36 Ca 0.28 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.01 1m7t h LYS 36 Cb -0.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1m7t h LYS 36 CO -0.05 0.00 -0.26 0.52 -0.57 0.00 0.00 179.45 179.09 1m7t h MET 37 N 0.00 0.00 0.00 3.15 2.86 -1.18 -3.13 114.93 116.62 1m7t h MET 37 Ca 0.00 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 1m7t h MET 37 Cb 0.38 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 1m7t h MET 37 CO 0.00 0.26 -0.90 0.82 1.06 0.00 0.00 176.91 178.15 1m7t h ILE 38 N 0.00 0.24 -0.13 -1.22 1.08 -1.53 -3.40 117.51 112.56 1m7t h ILE 38 Ca -0.00 -1.42 0.03 0.00 -0.39 0.00 0.00 64.86 63.07 1m7t h ILE 38 Cb 0.90 1.84 -0.06 0.00 -3.07 0.00 0.00 36.82 36.43 1m7t h ILE 38 CO 0.03 0.14 -0.55 0.11 -0.69 0.00 0.00 178.15 177.20 1m7t h LYS 39 N 0.00 -0.57 -0.70 2.37 1.57 -1.60 0.56 116.57 118.20 1m7t h LYS 39 Ca -0.05 0.04 0.11 0.00 -1.87 0.00 0.00 60.65 58.88 1m7t h LYS 39 Cb 1.21 0.13 -0.08 0.00 0.08 0.00 0.00 32.23 33.57 1m7t h LYS 39 CO 0.02 -0.38 0.31 -1.00 -0.57 0.00 0.00 179.45 177.83 1m7t h PRO 40 N -0.59 0.49 0.04 3.15 0.13 -1.76 -1.85 132.00 131.60 1m7t h PRO 40 Ca 0.03 -0.03 -0.23 0.00 -0.87 0.00 0.00 66.00 64.90 1m7t h PRO 40 Cb 0.69 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.69 1m7t h PRO 40 CO -0.43 0.32 -1.07 0.74 -0.23 0.00 0.00 178.00 177.33 1m7t h PHE 41 N 0.50 0.16 -0.35 1.56 0.04 -1.70 -2.98 116.94 114.18 1m7t h PHE 41 Ca 0.36 -0.12 -0.06 0.00 2.80 0.00 0.00 57.97 60.96 1m7t h PHE 41 Cb 0.46 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.59 1m7t h PHE 41 CO -0.14 1.08 0.00 0.35 -0.60 0.00 0.00 178.31 179.00 1m7t h PHE 42 N 0.03 0.67 -0.46 -0.55 3.57 0.47 -2.59 116.94 118.07 1m7t h PHE 42 Ca -0.05 -0.12 -0.13 0.00 3.53 0.00 0.00 57.97 61.21 1m7t h PHE 42 Cb 1.82 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 40.37 1m7t h PHE 42 CO 0.02 0.72 -0.21 1.25 -2.23 0.00 0.00 178.31 177.86 1m7t h HIS 43 N 0.43 1.08 -0.57 0.41 2.76 -1.45 -2.94 115.15 114.87 1m7t h HIS 43 Ca 0.10 -0.25 -0.01 0.00 -2.20 0.00 0.00 60.37 58.00 1m7t h HIS 43 Cb 0.45 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 29.13 1m7t h HIS 43 CO 0.04 1.06 0.31 0.66 -1.30 0.00 0.00 177.93 178.69 1m7t h SER 44 N 0.82 0.72 -0.72 3.26 4.64 -1.47 -2.26 113.55 118.53 1m7t h SER 44 Ca 0.11 -0.10 0.02 0.00 -0.47 0.00 0.00 61.79 61.35 1m7t h SER 44 Cb 0.77 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.64 1m7t h SER 44 CO 0.06 0.61 0.48 -0.07 -0.87 0.00 0.00 176.83 177.05 1m7t h LEU 45 N 0.77 0.80 -2.11 5.97 3.38 -1.42 -0.52 115.31 122.17 1m7t h LEU 45 Ca 0.20 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.21 1m7t h LEU 45 Cb 0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1m7t h LEU 45 CO -0.03 0.57 0.15 0.28 0.09 0.00 0.00 178.44 179.49 1m7t h SER 46 N 0.94 0.00 1.25 -0.43 0.02 -1.22 0.31 113.55 114.41 1m7t h SER 46 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1m7t h SER 46 Cb -0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1m7t h SER 46 CO -0.07 0.00 -0.71 -0.33 -1.14 0.00 0.00 176.83 174.58 1m7t h GLU 47 N 0.00 0.00 0.00 3.45 5.08 -1.01 -3.31 114.58 118.78 1m7t h GLU 47 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1m7t h GLU 47 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1m7t h GLU 47 CO -0.00 0.00 -1.50 1.17 -1.00 0.00 0.00 179.01 177.68 1m7t n LYS 48 N -2.74 0.61 -3.30 2.33 4.81 -0.20 -4.72 118.16 114.95 1m7t n LYS 48 Ca 0.01 -0.04 -0.46 0.00 -0.87 0.00 0.00 58.31 56.94 1m7t n LYS 48 Cb 0.54 -1.66 -0.03 0.00 0.02 0.00 0.00 35.03 33.89 1m7t n LYS 48 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1m7t s TYR 49 N -3.43 3.54 -0.46 5.64 1.51 0.92 -4.93 117.35 120.14 1m7t s TYR 49 Ca -0.04 -1.69 -0.04 0.00 -1.01 0.00 0.00 57.07 54.29 1m7t s TYR 49 Cb 0.12 -3.83 0.08 0.00 -0.11 0.00 0.00 41.96 38.22 1m7t s TYR 49 CO 0.85 -1.03 2.71 0.45 -1.11 0.00 0.00 175.55 177.43 1m7t n SER 50 N 4.58 6.50 0.00 2.29 2.88 -1.26 -3.88 113.62 124.74 1m7t n SER 50 Ca 0.03 -3.22 0.00 0.00 -1.33 0.00 0.00 58.87 54.35 1m7t n SER 50 Cb 0.44 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 1m7t n SER 50 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1m7t n ASN 51 N 0.80 0.00 -4.90 -3.46 2.85 -1.26 -5.13 115.26 104.16 1m7t n ASN 51 Ca 0.48 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.66 1m7t n ASN 51 Cb 0.55 0.11 -0.03 0.00 1.24 0.00 0.00 39.78 41.64 1m7t n ASN 51 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1m7t s VAL 52 N -1.38 5.02 -0.31 3.44 -7.23 -1.25 -4.10 120.40 114.58 1m7t s VAL 52 Ca 0.00 0.10 -0.09 0.00 -1.81 0.00 0.00 61.98 60.18 1m7t s VAL 52 Cb 0.00 -3.72 0.00 0.00 0.56 0.00 0.00 36.38 33.23 1m7t s VAL 52 CO 0.00 -0.28 0.14 -0.51 -0.31 0.00 0.00 175.10 174.14 1m7t s ILE 53 N -2.04 4.44 -0.34 -0.62 1.10 0.93 -4.93 121.20 119.74 1m7t s ILE 53 Ca 0.44 -0.55 -0.16 0.00 -0.51 0.00 0.00 60.65 59.87 1m7t s ILE 53 Cb -0.11 -3.30 -0.01 0.00 0.15 0.00 0.00 42.46 39.19 1m7t s ILE 53 CO 0.29 0.03 0.43 -0.36 -2.11 0.00 0.00 174.94 173.22 1m7t s PHE 54 N 1.58 3.20 0.26 3.50 0.40 -1.26 -2.30 117.98 123.36 1m7t s PHE 54 Ca 0.04 0.12 0.05 0.00 -0.60 0.00 0.00 56.93 56.54 1m7t s PHE 54 Cb -0.17 -2.77 -0.06 0.00 0.51 0.00 0.00 43.02 40.53 1m7t s PHE 54 CO 0.05 -0.45 -0.02 -0.48 0.70 0.00 0.00 175.22 175.02 1m7t s LEU 55 N 2.19 2.32 -0.19 -0.37 0.05 -1.19 -3.67 118.68 117.81 1m7t s LEU 55 Ca 0.15 -1.23 -0.00 0.00 0.05 0.00 0.00 54.13 53.10 1m7t s LEU 55 Cb -0.16 -0.44 0.02 0.00 -2.05 0.00 0.00 46.19 43.56 1m7t s LEU 55 CO 0.12 -0.45 -0.16 -0.70 -0.55 0.00 0.00 176.35 174.61 1m7t s GLU 56 N -3.81 3.04 -0.23 1.48 2.12 -1.17 -3.40 118.70 116.74 1m7t s GLU 56 Ca 0.30 -0.81 -0.02 0.00 0.36 0.00 0.00 54.97 54.80 1m7t s GLU 56 Cb 0.05 -2.69 0.01 0.00 0.26 0.00 0.00 34.13 31.76 1m7t s GLU 56 CO 0.11 -0.23 -0.08 0.08 -0.54 0.00 0.00 175.26 174.61 1m7t s VAL 57 N 1.33 2.94 -0.30 3.70 1.01 -1.06 -0.47 120.40 127.54 1m7t s VAL 57 Ca 0.05 -0.80 -0.14 0.00 0.00 0.00 0.00 61.98 61.08 1m7t s VAL 57 Cb -0.14 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 1m7t s VAL 57 CO -0.10 0.34 0.33 -0.62 0.00 0.00 0.00 175.10 175.05 1m7t s ASP 58 N 1.38 6.17 0.59 3.32 2.15 -1.25 -2.65 116.67 126.38 1m7t s ASP 58 Ca 0.03 0.00 0.40 0.00 0.43 0.00 0.00 52.55 53.41 1m7t s ASP 58 Cb -0.15 -2.18 2.11 0.00 -0.30 0.00 0.00 42.92 42.39 1m7t s ASP 58 CO -0.05 -0.22 2.21 1.62 -0.17 0.00 0.00 175.17 178.55 1m7t h VAL 59 N 5.45 0.00 -0.79 1.11 3.04 -1.73 0.94 116.25 124.27 1m7t h VAL 59 Ca -0.32 -0.05 -0.05 0.00 -1.01 0.00 0.00 66.70 65.28 1m7t h VAL 59 Cb 1.16 0.95 -0.03 0.00 -2.01 0.00 0.00 31.29 31.36 1m7t h VAL 59 CO 0.64 0.00 0.30 -0.78 -1.01 0.00 0.00 177.57 176.73 1m7t h ASP 60 N 0.00 1.11 0.01 3.17 3.58 -1.93 -2.20 116.42 120.16 1m7t h ASP 60 Ca 0.00 -0.18 -0.38 0.00 0.42 0.00 0.00 57.03 56.89 1m7t h ASP 60 Cb 0.05 -0.29 -0.07 0.00 1.72 0.00 0.00 39.33 40.74 1m7t h ASP 60 CO 0.00 0.99 -2.41 0.47 -2.88 0.00 0.00 179.24 175.41 1m7t n ASP 61 N -4.27 0.82 -2.41 2.28 8.00 -0.49 -4.43 116.55 116.05 1m7t n ASP 61 Ca 0.07 -0.05 -0.30 0.00 0.71 0.00 0.00 54.79 55.23 1m7t n ASP 61 Cb 0.20 0.40 0.02 0.00 -0.02 0.00 0.00 41.12 41.72 1m7t n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1m7t n ALA 62 N -2.95 6.14 0.58 2.24 0.00 0.32 -4.40 120.51 122.42 1m7t n ALA 62 Ca -0.38 -3.10 0.08 0.00 0.00 0.00 0.00 53.44 50.04 1m7t n ALA 62 Cb 1.09 -1.84 0.35 0.00 0.00 0.00 0.00 19.45 19.05 1m7t n ALA 62 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1m7t n GLN 63 N -0.06 0.03 0.03 0.00 0.00 -0.83 -2.35 117.38 114.20 1m7t n GLN 63 Ca 0.49 0.21 0.07 0.00 -0.00 0.00 0.00 57.00 57.78 1m7t n GLN 63 Cb 0.51 -1.50 -0.09 0.00 0.00 0.00 0.00 30.24 29.16 1m7t n GLN 63 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1m7t n ASP 64 N -1.47 0.48 -0.01 1.69 9.92 -1.26 -4.22 116.55 121.68 1m7t n ASP 64 Ca 0.04 0.19 -0.17 0.00 -0.53 0.00 0.00 54.79 54.32 1m7t n ASP 64 Cb 0.18 0.99 -0.14 0.00 -0.64 0.00 0.00 41.12 41.51 1m7t n ASP 64 CO 0.00 0.00 0.00 -0.37 0.13 0.00 0.00 177.20 176.96 1m7t h VAL 65 N 0.00 1.61 -0.10 2.53 -1.51 -1.83 -3.32 116.25 113.63 1m7t h VAL 65 Ca -0.08 -2.45 0.04 0.00 -1.23 0.00 0.00 66.70 62.99 1m7t h VAL 65 Cb 1.21 3.26 -0.06 0.00 -2.13 0.00 0.00 31.29 33.56 1m7t h VAL 65 CO 0.01 0.66 -0.45 0.00 -1.23 0.00 0.00 177.57 176.56 1m7t h ALA 66 N 0.03 -0.68 -0.78 5.19 0.00 -1.74 0.04 119.26 121.32 1m7t h ALA 66 Ca -0.09 -0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.02 1m7t h ALA 66 Cb 1.36 0.83 -0.03 0.00 0.00 0.00 0.00 17.79 19.95 1m7t h ALA 66 CO 0.08 -0.97 0.64 -1.35 0.00 0.00 0.00 179.25 177.64 1m7t h PRO 67 N -0.54 0.00 0.00 0.00 0.11 -1.73 1.05 132.00 130.89 1m7t h PRO 67 Ca 0.06 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.12 1m7t h PRO 67 Cb 0.65 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.75 1m7t h PRO 67 CO -0.39 0.00 -0.23 -0.22 -0.21 0.00 0.00 178.00 176.95 1m7t h LYS 68 N 0.00 0.00 -0.01 1.05 3.64 -1.10 -3.20 116.57 116.96 1m7t h LYS 68 Ca 0.37 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1m7t h LYS 68 Cb 1.64 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.46 1m7t h LYS 68 CO -0.00 0.23 -0.24 0.66 -2.27 0.00 0.00 179.45 177.83 1m7t n TYR 69 N -3.27 0.00 -2.75 1.91 4.01 0.30 -5.01 117.16 112.36 1m7t n TYR 69 Ca 0.01 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.60 1m7t n TYR 69 Cb 0.51 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.57 1m7t n TYR 69 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1m7t n GLY 70 N 0.93 -0.14 3.73 2.72 0.00 0.21 -4.98 105.19 107.66 1m7t n GLY 70 Ca 0.04 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1m7t n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1m7t s ILE 71 N -2.96 3.96 -0.36 -0.61 1.01 -1.13 -4.94 121.20 116.17 1m7t s ILE 71 Ca 0.20 1.53 0.14 0.00 0.00 0.00 0.00 60.65 62.51 1m7t s ILE 71 Cb -0.09 -3.98 0.43 0.00 0.01 0.00 0.00 42.46 38.83 1m7t s ILE 71 CO 0.24 0.19 1.18 -1.14 0.00 0.00 0.00 174.94 175.42 1m7t n ARG 72 N 3.15 1.20 -3.13 2.79 3.00 -1.26 -4.82 116.66 117.60 1m7t n ARG 72 Ca 0.06 -2.47 0.05 0.00 -0.00 0.00 0.00 57.85 55.49 1m7t n ARG 72 Cb 0.46 -0.59 0.00 0.00 0.00 0.00 0.00 32.46 32.33 1m7t n ARG 72 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1m7t s GLY 73 N -2.12 -0.96 0.09 5.14 0.00 -1.26 -5.15 107.32 103.06 1m7t s GLY 73 Ca 0.24 2.08 0.01 0.00 0.00 0.00 0.00 44.72 47.05 1m7t s GLY 73 CO -0.03 4.13 0.21 -0.26 0.00 0.00 0.00 173.10 177.14 1m7t s ILE 74 N 2.91 5.22 -0.37 0.90 -4.36 -1.26 -2.64 121.20 121.59 1m7t s ILE 74 Ca 0.28 -0.55 -0.29 0.00 -0.26 0.00 0.00 60.65 59.82 1m7t s ILE 74 Cb -0.01 -3.59 0.02 0.00 1.25 0.00 0.00 42.46 40.12 1m7t s ILE 74 CO -0.23 0.06 1.18 -2.84 0.24 0.00 0.00 174.94 173.36 1m7t s PRO 75 N -2.72 3.88 0.03 0.37 0.02 -1.26 -4.62 135.00 130.69 1m7t s PRO 75 Ca 0.34 0.95 -0.23 0.00 0.02 0.00 0.00 61.00 62.08 1m7t s PRO 75 Cb -0.12 -3.85 -0.06 0.00 0.02 0.00 0.00 34.50 30.49 1m7t s PRO 75 CO 0.27 -1.17 0.68 0.99 -0.33 0.00 0.00 177.00 177.45 1m7t s THR 76 N 4.25 4.79 -0.20 0.99 2.01 -1.04 -1.69 115.64 124.75 1m7t s THR 76 Ca 0.50 1.45 -0.06 0.00 0.31 0.00 0.00 61.69 63.90 1m7t s THR 76 Cb -0.12 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.33 1m7t s THR 76 CO 0.24 0.40 0.01 -0.22 -0.69 0.00 0.00 174.62 174.37 1m7t s LEU 77 N -0.22 3.39 -0.06 4.42 2.96 0.35 0.96 118.68 130.48 1m7t s LEU 77 Ca 0.35 -0.14 0.04 0.00 -0.22 0.00 0.00 54.13 54.16 1m7t s LEU 77 Cb -0.20 -1.86 -0.02 0.00 0.50 0.00 0.00 46.19 44.62 1m7t s LEU 77 CO 0.20 0.09 -0.19 -0.76 -1.32 0.00 0.00 176.35 174.37 1m7t s LEU 78 N 0.85 2.42 -0.17 -0.68 1.43 0.19 0.41 118.68 123.13 1m7t s LEU 78 Ca 0.01 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 1m7t s LEU 78 Cb -0.14 -1.48 0.01 0.00 0.03 0.00 0.00 46.19 44.61 1m7t s LEU 78 CO 0.02 0.27 -0.16 -0.76 0.23 0.00 0.00 176.35 175.95 1m7t s LEU 79 N -0.32 2.37 0.03 1.79 2.01 0.57 0.71 118.68 125.83 1m7t s LEU 79 Ca 0.02 -0.54 0.05 0.00 0.01 0.00 0.00 54.13 53.68 1m7t s LEU 79 Cb -0.13 -1.54 -0.03 0.00 0.01 0.00 0.00 46.19 44.50 1m7t s LEU 79 CO 0.02 0.04 -0.13 -0.36 1.01 0.00 0.00 176.35 176.94 1m7t s PHE 80 N 1.05 2.72 -0.19 0.29 0.40 0.31 -0.21 117.98 122.34 1m7t s PHE 80 Ca -0.01 -0.15 -0.04 0.00 -0.60 0.00 0.00 56.93 56.13 1m7t s PHE 80 Cb -0.14 -1.53 0.09 0.00 0.51 0.00 0.00 43.02 41.95 1m7t s PHE 80 CO -0.05 0.31 0.23 0.21 0.70 0.00 0.00 175.22 176.62 1m7t s LYS 81 N -1.45 0.19 -1.15 0.44 2.20 0.25 -0.38 119.74 119.83 1m7t s LYS 81 Ca 0.16 0.30 -0.04 0.00 -0.36 0.00 0.00 55.97 56.03 1m7t s LYS 81 Cb -0.11 -0.99 0.00 0.00 -1.51 0.00 0.00 37.83 35.22 1m7t s LYS 81 CO 0.07 -0.60 0.99 0.09 -0.36 0.00 0.00 175.35 175.53 1m7t n ASN 82 N 5.33 -3.86 0.00 1.43 5.03 -1.25 -2.16 115.26 119.77 1m7t n ASN 82 Ca -0.05 -0.53 0.00 0.00 0.87 0.00 0.00 54.58 54.87 1m7t n ASN 82 Cb 0.50 -4.66 0.00 0.00 -1.02 0.00 0.00 39.78 34.60 1m7t n ASN 82 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1m7t n GLY 83 N -1.47 0.86 3.23 7.41 0.00 -1.26 -5.00 105.19 108.96 1m7t n GLY 83 Ca -0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 1m7t n GLY 83 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1m7t s GLU 84 N -0.22 1.63 -0.07 1.61 -6.30 -0.92 -5.10 118.70 109.33 1m7t s GLU 84 Ca 0.00 -0.79 -0.30 0.00 -2.50 0.00 0.00 54.97 51.38 1m7t s GLU 84 Cb 0.00 -1.61 -0.05 0.00 0.00 0.00 0.00 34.13 32.47 1m7t s GLU 84 CO 0.00 0.44 1.64 0.08 0.02 0.00 0.00 175.26 177.43 1m7t s VAL 85 N -0.56 3.62 -0.86 3.70 1.01 -1.26 0.84 120.40 126.90 1m7t s VAL 85 Ca 0.08 0.74 0.09 0.00 0.00 0.00 0.00 61.98 62.89 1m7t s VAL 85 Cb -0.08 -3.49 0.23 0.00 0.00 0.00 0.00 36.38 33.04 1m7t s VAL 85 CO -0.00 -0.08 1.15 0.00 0.00 0.00 0.00 175.10 176.17 1m7t n ALA 86 N 7.19 2.21 -3.64 5.51 0.00 0.70 -4.88 120.51 127.59 1m7t n ALA 86 Ca 0.17 -1.03 -0.05 0.00 0.00 0.00 0.00 53.44 52.53 1m7t n ALA 86 Cb 0.43 -0.36 -0.07 0.00 0.00 0.00 0.00 19.45 19.45 1m7t n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m7t s ALA 87 N -0.96 -2.15 -0.05 0.00 0.00 -1.13 -4.99 121.76 112.48 1m7t s ALA 87 Ca 0.18 1.82 -0.02 0.00 0.00 0.00 0.00 51.96 53.94 1m7t s ALA 87 Cb 0.10 -1.65 0.03 0.00 0.00 0.00 0.00 23.12 21.60 1m7t s ALA 87 CO 0.13 -0.19 0.04 0.99 0.00 0.00 0.00 175.76 176.74 1m7t s THR 88 N 0.26 0.04 0.05 0.00 2.01 -1.26 -0.31 115.64 116.44 1m7t s THR 88 Ca 0.04 0.32 0.09 0.00 0.31 0.00 0.00 61.69 62.45 1m7t s THR 88 Cb -0.05 -0.26 -0.03 0.00 0.01 0.00 0.00 72.50 72.17 1m7t s THR 88 CO -0.11 0.20 -0.25 -0.75 -0.69 0.00 0.00 174.62 173.01 1m7t s LYS 89 N 2.03 1.80 0.07 4.92 2.36 0.17 -4.98 119.74 126.11 1m7t s LYS 89 Ca 0.04 -1.12 0.10 0.00 -2.55 0.00 0.00 55.97 52.44 1m7t s LYS 89 Cb -0.12 -2.00 -0.03 0.00 -1.05 0.00 0.00 37.83 34.62 1m7t s LYS 89 CO -0.04 0.51 -0.27 0.08 1.55 0.00 0.00 175.35 177.19 1m7t s VAL 90 N -0.86 2.18 0.01 4.02 1.01 -1.26 0.13 120.40 125.63 1m7t s VAL 90 Ca 0.12 -1.51 0.00 0.00 0.00 0.00 0.00 61.98 60.59 1m7t s VAL 90 Cb -0.10 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.39 1m7t s VAL 90 CO 0.03 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.02 1m7t n GLY 91 N 1.49 -2.64 3.75 4.51 0.00 -0.68 -4.92 105.19 106.71 1m7t n GLY 91 Ca -0.17 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 1m7t n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m7t s ALA 92 N -3.08 3.44 0.10 4.61 0.00 -1.26 -4.72 121.76 120.85 1m7t s ALA 92 Ca 0.00 1.01 0.07 0.00 0.00 0.00 0.00 51.96 53.03 1m7t s ALA 92 Cb 0.00 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 1m7t s ALA 92 CO 0.00 -0.35 -0.17 -0.48 0.00 0.00 0.00 175.76 174.76 1m7t s LEU 93 N -1.11 2.31 0.00 0.00 2.34 -1.26 -5.11 118.68 115.86 1m7t s LEU 93 Ca 0.49 -0.69 -0.18 0.00 0.06 0.00 0.00 54.13 53.81 1m7t s LEU 93 Cb -0.34 -0.68 0.28 0.00 -0.56 0.00 0.00 46.19 44.88 1m7t s LEU 93 CO 0.42 -0.03 0.82 -1.20 -1.06 0.00 0.00 176.35 175.30 1m7t n SER 94 N 1.04 -2.69 0.05 1.48 7.64 -1.26 -4.73 113.62 115.15 1m7t n SER 94 Ca -0.19 -0.91 -0.06 0.00 1.01 0.00 0.00 58.87 58.72 1m7t n SER 94 Cb 0.54 -0.82 0.13 0.00 -1.01 0.00 0.00 64.21 63.06 1m7t n SER 94 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1m7t h LYS 95 N 0.00 0.36 0.01 1.43 3.64 -1.99 -2.45 116.57 117.56 1m7t h LYS 95 Ca -0.33 -0.21 -0.19 0.00 -1.27 0.00 0.00 60.65 58.65 1m7t h LYS 95 Cb 1.05 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 1m7t h LYS 95 CO 0.21 0.79 -0.90 0.78 -2.27 0.00 0.00 179.45 178.05 1m7t h GLY 96 N 1.25 0.04 1.82 5.01 0.00 -1.99 -2.45 103.07 106.74 1m7t h GLY 96 Ca 0.01 -0.07 -0.21 0.00 0.00 0.00 0.00 47.33 47.06 1m7t h GLY 96 CO 0.09 0.06 -0.93 1.46 0.00 0.00 0.00 176.54 177.22 1m7t h GLN 97 N 0.01 0.16 0.01 4.80 4.20 -1.90 -1.24 115.11 121.15 1m7t h GLN 97 Ca -0.02 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.50 1m7t h GLN 97 Cb 1.58 0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.42 1m7t h GLN 97 CO 0.12 0.98 -0.01 1.25 -0.67 0.00 0.00 178.83 180.50 1m7t h LEU 98 N 0.08 -0.01 -0.69 1.46 6.46 -1.49 -2.51 115.31 118.60 1m7t h LEU 98 Ca -0.05 -0.55 -0.02 0.00 -0.12 0.00 0.00 57.88 57.14 1m7t h LEU 98 Cb 1.59 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.49 1m7t h LEU 98 CO 0.14 0.55 0.36 0.50 -0.62 0.00 0.00 178.44 179.36 1m7t h LYS 99 N -0.58 0.97 -0.65 1.25 3.64 -1.50 -1.67 116.57 118.03 1m7t h LYS 99 Ca -0.00 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 1m7t h LYS 99 Cb 0.56 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 1m7t h LYS 99 CO 0.00 0.75 0.36 1.05 -2.27 0.00 0.00 179.45 179.34 1m7t h GLU 100 N 0.95 0.91 -0.65 1.90 4.11 -1.28 0.39 114.58 120.92 1m7t h GLU 100 Ca 0.24 -0.11 -0.02 0.00 0.07 0.00 0.00 59.36 59.55 1m7t h GLU 100 Cb 0.08 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 1m7t h GLU 100 CO -0.03 0.68 0.34 0.35 0.07 0.00 0.00 179.01 180.42 1m7t h PHE 101 N 0.89 0.91 0.29 2.06 3.57 -1.20 0.89 116.94 124.35 1m7t h PHE 101 Ca 0.23 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1m7t h PHE 101 Cb 0.04 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.49 1m7t h PHE 101 CO -0.01 0.66 -0.14 -0.07 -2.23 0.00 0.00 178.31 176.53 1m7t h LEU 102 N 0.89 -0.33 -1.38 0.59 3.38 -0.86 -2.30 115.31 115.29 1m7t h LEU 102 Ca 0.23 -0.19 0.18 0.00 0.09 0.00 0.00 57.88 58.18 1m7t h LEU 102 Cb 0.07 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 1m7t h LEU 102 CO -0.03 0.05 0.58 -0.78 0.09 0.00 0.00 178.44 178.35 1m7t h ASP 103 N -0.75 0.53 1.14 -0.43 3.58 -0.13 1.35 116.42 121.71 1m7t h ASP 103 Ca -0.04 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1m7t h ASP 103 Cb 0.50 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.49 1m7t h ASP 103 CO 0.06 0.24 0.00 0.00 -2.88 0.00 0.00 179.24 176.66 1m7t h ALA 104 N 1.61 1.00 0.00 -0.78 0.00 -0.65 -3.23 119.26 117.21 1m7t h ALA 104 Ca 0.47 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 55.19 1m7t h ALA 104 Cb 0.96 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1m7t h ALA 104 CO -0.20 0.00 -1.81 -1.71 0.00 0.00 0.00 179.25 175.52 1m7t n ASN 105 N -2.96 1.90 -4.63 0.00 5.15 0.13 -4.94 115.26 109.91 1m7t n ASN 105 Ca 0.01 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.57 1m7t n ASN 105 Cb 0.33 0.97 -0.02 0.00 -0.53 0.00 0.00 39.78 40.53 1m7t n ASN 105 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1m7t s LEU 106 N -4.73 3.88 0.00 1.20 1.98 0.42 -5.03 118.68 116.39 1m7t s LEU 106 Ca -0.06 1.52 0.00 0.00 -2.89 0.00 0.00 54.13 52.70 1m7t s LEU 106 Cb 0.05 -3.53 0.00 0.00 0.66 0.00 0.00 46.19 43.36 1m7t s LEU 106 CO 0.52 -1.24 0.00 1.33 -1.89 0.00 0.00 176.35 175.07