#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fmt s LYS 2 N 0.00 2.09 -0.08 0.03 -0.14 -1.26 -5.14 119.74 115.24 3fmt s LYS 2 Ca 0.00 -1.58 0.04 0.00 -1.36 0.00 0.00 55.97 53.06 3fmt s LYS 2 Cb 0.00 -2.01 0.00 0.00 -1.68 0.00 0.00 37.83 34.14 3fmt s LYS 2 CO 0.00 0.30 -0.20 0.99 -0.76 0.00 0.00 175.35 175.68 3fmt s THR 3 N -2.42 1.74 0.15 2.17 2.01 -1.26 -5.12 115.64 112.91 3fmt s THR 3 Ca 0.32 -0.84 0.09 0.00 0.31 0.00 0.00 61.69 61.57 3fmt s THR 3 Cb -0.05 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 3fmt s THR 3 CO 0.19 0.49 -0.21 0.27 -0.69 0.00 0.00 174.62 174.67 3fmt s ILE 4 N 0.37 1.91 -0.21 1.82 -4.36 -1.26 -5.14 121.20 114.32 3fmt s ILE 4 Ca -0.15 -1.82 -0.04 0.00 -0.26 0.00 0.00 60.65 58.38 3fmt s ILE 4 Cb -0.16 -1.82 -0.01 0.00 1.25 0.00 0.00 42.46 41.72 3fmt s ILE 4 CO 0.07 -0.18 -0.04 -1.61 0.24 0.00 0.00 174.94 173.41 3fmt s GLU 5 N -2.48 3.40 0.11 0.37 2.02 -1.26 -5.11 118.70 115.76 3fmt s GLU 5 Ca 0.14 -0.62 0.06 0.00 0.02 0.00 0.00 54.97 54.57 3fmt s GLU 5 Cb -0.08 -3.00 -0.04 0.00 0.10 0.00 0.00 34.13 31.12 3fmt s GLU 5 CO 0.06 -0.16 -0.01 0.14 0.02 0.00 0.00 175.26 175.32 3fmt s VAL 6 N 1.38 3.89 1.03 2.63 -7.23 -1.26 -5.12 120.40 115.71 3fmt s VAL 6 Ca 0.05 -1.12 -0.12 0.00 -1.81 0.00 0.00 61.98 58.97 3fmt s VAL 6 Cb -0.14 -2.87 0.21 0.00 0.56 0.00 0.00 36.38 34.13 3fmt s VAL 6 CO -0.02 0.06 1.08 1.51 -0.31 0.00 0.00 175.10 177.42 3fmt s ASP 7 N -2.46 2.29 0.22 4.85 1.47 -1.26 -4.80 116.67 116.98 3fmt s ASP 7 Ca 0.26 1.30 -0.10 0.00 1.18 0.00 0.00 52.55 55.19 3fmt s ASP 7 Cb -0.11 -1.99 0.17 0.00 -0.34 0.00 0.00 42.92 40.65 3fmt s ASP 7 CO 0.18 -3.36 1.89 0.44 0.68 0.00 0.00 175.17 175.00 3fmt h ASP 8 N -2.05 0.92 0.29 2.11 3.45 -2.00 -2.27 116.42 116.88 3fmt h ASP 8 Ca -0.56 -0.02 -0.01 0.00 0.43 0.00 0.00 57.03 56.87 3fmt h ASP 8 Cb 1.33 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 39.87 3fmt h ASP 8 CO 0.55 0.66 -0.14 -0.08 -1.57 0.00 0.00 179.24 178.67 3fmt h GLU 9 N 1.08 -0.38 -0.20 3.56 4.81 -2.01 -2.78 114.58 118.66 3fmt h GLU 9 Ca 0.29 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.61 3fmt h GLU 9 Cb -0.13 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3fmt h GLU 9 CO -0.06 -0.06 0.23 1.25 -0.73 0.00 0.00 179.01 179.64 3fmt h LEU 10 N -0.75 0.00 0.08 1.64 5.85 -1.92 -2.06 115.31 118.14 3fmt h LEU 10 Ca -0.04 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 3fmt h LEU 10 Cb 0.50 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.53 3fmt h LEU 10 CO 0.07 0.00 -0.04 0.22 -0.34 0.00 0.00 178.44 178.35 3fmt h TYR 11 N 0.00 -0.10 -0.63 1.25 5.03 -1.22 -2.68 116.97 118.62 3fmt h TYR 11 Ca 0.10 -0.00 0.08 0.00 2.58 0.00 0.00 58.73 61.48 3fmt h TYR 11 Cb 0.56 0.03 -0.04 0.00 1.55 0.00 0.00 36.73 38.83 3fmt h TYR 11 CO 0.00 0.39 0.42 0.77 -1.32 0.00 0.00 178.16 178.42 3fmt h SER 12 N -0.66 0.50 0.66 -2.11 0.02 -1.12 -0.04 113.55 110.81 3fmt h SER 12 Ca -0.01 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 3fmt h SER 12 Cb 0.54 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 62.98 3fmt h SER 12 CO 0.02 0.31 -0.32 0.22 -1.14 0.00 0.00 176.83 175.92 3fmt h TYR 13 N 0.56 -0.83 -0.77 3.45 3.20 -1.44 0.16 116.97 121.31 3fmt h TYR 13 Ca 0.28 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.23 3fmt h TYR 13 Cb 0.37 0.27 -0.07 0.00 1.54 0.00 0.00 36.73 38.85 3fmt h TYR 13 CO -0.00 -0.49 0.41 0.82 -1.64 0.00 0.00 178.16 177.26 3fmt h ILE 14 N -0.99 0.87 -0.69 1.81 2.04 -1.10 -0.84 117.51 118.61 3fmt h ILE 14 Ca -0.09 -0.24 0.04 0.00 1.00 0.00 0.00 64.86 65.57 3fmt h ILE 14 Cb 0.71 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 3fmt h ILE 14 CO 0.15 0.13 0.46 0.00 0.00 0.00 0.00 178.15 178.88 3fmt h ALA 15 N 1.44 1.63 0.00 1.87 0.00 -0.74 -1.75 119.26 121.72 3fmt h ALA 15 Ca 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3fmt h ALA 15 Cb 0.37 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3fmt h ALA 15 CO -0.26 0.29 0.00 0.66 0.00 0.00 0.00 179.25 179.93 3fmt h SER 16 N 0.81 0.00 -0.18 0.00 4.64 0.52 -2.59 113.55 116.75 3fmt h SER 16 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3fmt h SER 16 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3fmt h SER 16 CO -0.08 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.29 3fmt n HIS 17 N -2.81 0.23 -1.95 4.77 -0.00 -0.66 -4.87 115.22 109.93 3fmt n HIS 17 Ca 0.02 -0.12 -0.42 0.00 -0.00 0.00 0.00 57.72 57.20 3fmt n HIS 17 Cb 0.36 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.32 3fmt n HIS 17 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3fmt s THR 18 N -1.77 3.30 -0.05 1.59 2.01 -0.98 -4.93 115.64 114.82 3fmt s THR 18 Ca 0.14 0.56 -0.04 0.00 0.31 0.00 0.00 61.69 62.67 3fmt s THR 18 Cb 0.07 -3.36 -0.01 0.00 0.01 0.00 0.00 72.50 69.21 3fmt s THR 18 CO 0.10 -0.03 -0.07 0.29 -0.69 0.00 0.00 174.62 174.22 3fmt n LYS 19 N 6.44 0.15 -4.44 4.92 5.02 -1.26 -5.05 118.16 123.93 3fmt n LYS 19 Ca 0.17 0.26 -0.24 0.00 -2.02 0.00 0.00 58.31 56.48 3fmt n LYS 19 Cb 0.42 -0.97 -0.10 0.00 -0.02 0.00 0.00 35.03 34.36 3fmt n LYS 19 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 3fmt s HIS 20 N -1.44 2.38 0.30 2.13 -3.43 -1.26 -5.10 115.29 108.87 3fmt s HIS 20 Ca -0.06 -0.34 -0.30 0.00 -0.80 0.00 0.00 55.06 53.57 3fmt s HIS 20 Cb 0.01 -1.10 -0.12 0.00 -1.43 0.00 0.00 32.58 29.94 3fmt s HIS 20 CO 0.09 0.67 1.50 -0.89 -2.00 0.00 0.00 174.74 174.11 3fmt n ILE 21 N -0.70 1.28 -0.40 -5.38 2.08 -1.26 -3.53 119.36 111.43 3fmt n ILE 21 Ca -0.05 -0.32 0.00 0.00 0.56 0.00 0.00 62.75 62.94 3fmt n ILE 21 Cb 0.60 -1.80 0.00 0.00 -0.75 0.00 0.00 39.64 37.69 3fmt n ILE 21 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3fmt n GLY 22 N 1.73 1.06 3.82 7.39 0.00 -1.26 -4.87 105.19 113.05 3fmt n GLY 22 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 3fmt n GLY 22 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3fmt s GLU 23 N -0.43 3.98 0.44 1.61 -1.05 -1.23 -5.05 118.70 116.97 3fmt s GLU 23 Ca 0.00 1.18 0.01 0.00 -0.15 0.00 0.00 54.97 56.00 3fmt s GLU 23 Cb 0.00 -2.13 -0.00 0.00 -0.44 0.00 0.00 34.13 31.55 3fmt s GLU 23 CO 0.00 -0.26 0.65 -1.54 0.95 0.00 0.00 175.26 175.07 3fmt s SER 24 N -2.31 5.83 0.32 0.83 1.04 -1.26 -4.92 113.70 113.23 3fmt s SER 24 Ca 0.63 0.23 0.06 0.00 0.48 0.00 0.00 55.95 57.36 3fmt s SER 24 Cb -0.12 -1.49 0.73 0.00 0.10 0.00 0.00 66.02 65.24 3fmt s SER 24 CO 0.20 -0.69 1.82 0.03 0.98 0.00 0.00 173.24 175.59 3fmt h ARG 25 N 0.44 0.77 0.05 4.02 2.47 -1.99 0.14 114.38 120.28 3fmt h ARG 25 Ca -0.46 -0.05 0.02 0.00 -1.26 0.00 0.00 59.98 58.23 3fmt h ARG 25 Cb 1.25 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 29.38 3fmt h ARG 25 CO 0.57 0.51 -0.15 0.77 0.56 0.00 0.00 179.97 182.23 3fmt h SER 26 N 0.80 -0.42 0.10 7.04 0.02 -1.99 0.16 113.55 119.25 3fmt h SER 26 Ca 0.51 0.06 0.02 0.00 -0.84 0.00 0.00 61.79 61.54 3fmt h SER 26 Cb 0.75 0.17 -0.05 0.00 0.14 0.00 0.00 62.40 63.41 3fmt h SER 26 CO -0.28 -0.22 -0.48 0.44 -1.14 0.00 0.00 176.83 175.15 3fmt h ASP 27 N -0.28 -1.44 -0.61 3.07 3.32 -1.41 -1.47 116.42 117.60 3fmt h ASP 27 Ca 0.03 0.16 0.10 0.00 0.02 0.00 0.00 57.03 57.34 3fmt h ASP 27 Cb 0.31 0.54 -0.07 0.00 0.22 0.00 0.00 39.33 40.33 3fmt h ASP 27 CO -0.11 -0.53 0.22 0.40 -1.72 0.00 0.00 179.24 177.51 3fmt h ILE 28 N -0.70 0.76 0.06 0.35 2.04 -0.90 -2.57 117.51 116.54 3fmt h ILE 28 Ca 0.01 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 3fmt h ILE 28 Cb 0.73 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3fmt h ILE 28 CO -0.28 0.07 -0.03 -0.07 0.00 0.00 0.00 178.15 177.84 3fmt h LEU 29 N 0.40 -0.07 -1.51 1.44 3.38 -0.34 -1.58 115.31 117.03 3fmt h LEU 29 Ca 0.31 -0.15 0.10 0.00 0.09 0.00 0.00 57.88 58.23 3fmt h LEU 29 Cb 0.39 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 3fmt h LEU 29 CO -0.31 0.11 0.46 0.03 0.09 0.00 0.00 178.44 178.81 3fmt h ARG 30 N -0.24 0.54 -0.61 1.13 3.08 -1.11 0.22 114.38 117.37 3fmt h ARG 30 Ca -0.01 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 59.92 3fmt h ARG 30 Cb 0.21 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3fmt h ARG 30 CO 0.01 0.35 0.02 -0.09 -1.07 0.00 0.00 179.97 179.20 3fmt h ARG 31 N 0.55 1.07 0.00 0.04 2.43 -1.18 -2.15 114.38 115.14 3fmt h ARG 31 Ca 0.32 -0.33 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3fmt h ARG 31 Cb 0.52 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3fmt h ARG 31 CO -0.11 1.04 0.00 -1.33 -1.51 0.00 0.00 179.97 178.06 3fmt n MET 32 N -4.20 0.26 -0.00 0.20 2.81 0.65 -3.48 117.12 113.36 3fmt n MET 32 Ca 0.03 0.05 0.02 0.00 -1.81 0.00 0.00 57.70 55.99 3fmt n MET 32 Cb 0.34 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.32 3fmt n MET 32 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3fmt n LEU 33 N -1.35 0.23 -0.68 4.03 4.77 -0.54 -4.98 117.00 118.49 3fmt n LEU 33 Ca 0.11 -0.50 -0.09 0.00 -0.03 0.00 0.00 56.01 55.50 3fmt n LEU 33 Cb 0.23 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.29 3fmt n LEU 33 CO 0.21 0.06 -0.08 0.29 -1.33 0.00 0.00 177.39 176.53 3fmt n LYS 34 N -1.12 -0.71 -2.86 3.23 5.02 -1.03 -5.08 118.16 115.61 3fmt n LYS 34 Ca 0.01 0.78 -0.42 0.00 -2.02 0.00 0.00 58.31 56.66 3fmt n LYS 34 Cb 0.08 -4.68 -0.04 0.00 -0.02 0.00 0.00 35.03 30.37 3fmt n LYS 34 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3fmt s PHE 35 N -2.28 3.09 0.00 2.13 5.36 -0.84 -5.06 117.98 120.38 3fmt s PHE 35 Ca 0.00 0.69 0.00 0.00 -0.96 0.00 0.00 56.93 56.66 3fmt s PHE 35 Cb 0.00 -3.56 0.00 0.00 -0.34 0.00 0.00 43.02 39.12 3fmt s PHE 35 CO 0.00 -0.79 0.00 1.63 -1.46 0.00 0.00 175.22 174.60 3fmt n LYS 60 N 6.64 0.00 -1.80 10.12 5.02 -1.26 -5.04 118.16 131.85 3fmt n LYS 60 Ca 0.06 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.93 3fmt n LYS 60 Cb 0.48 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.48 3fmt n LYS 60 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3fmt s PRO 61 N -2.83 4.12 0.10 1.97 0.04 -1.26 -5.03 135.00 132.12 3fmt s PRO 61 Ca 0.00 2.56 0.02 0.00 0.04 0.00 0.00 61.00 63.63 3fmt s PRO 61 Cb 0.00 -3.00 -0.04 0.00 0.04 0.00 0.00 34.50 31.50 3fmt s PRO 61 CO 0.00 -0.58 -0.08 0.54 0.04 0.00 0.00 177.00 176.93 3fmt s VAL 62 N -0.49 0.76 0.72 -0.36 0.11 -1.26 -5.11 120.40 114.77 3fmt s VAL 62 Ca 0.58 -1.79 -0.13 0.00 -2.93 0.00 0.00 61.98 57.71 3fmt s VAL 62 Cb -0.47 -1.51 0.03 0.00 -1.53 0.00 0.00 36.38 32.91 3fmt s VAL 62 CO 0.54 -0.75 1.12 -0.54 -3.33 0.00 0.00 175.10 172.15 3fmt s LYS 63 N -3.36 2.42 0.85 1.54 1.02 -1.26 -5.01 119.74 115.94 3fmt s LYS 63 Ca 0.08 1.39 -0.11 0.00 0.02 0.00 0.00 55.97 57.36 3fmt s LYS 63 Cb 0.02 -1.90 0.10 0.00 -0.52 0.00 0.00 37.83 35.53 3fmt s LYS 63 CO -0.03 -1.55 1.09 0.95 -0.92 0.00 0.00 175.35 174.90 3fmt s THR 64 N -2.47 2.87 0.26 2.17 -4.23 -1.26 -4.79 115.64 108.20 3fmt s THR 64 Ca 0.66 0.28 -0.04 0.00 -1.18 0.00 0.00 61.69 61.41 3fmt s THR 64 Cb -0.21 -2.81 0.26 0.00 1.34 0.00 0.00 72.50 71.09 3fmt s THR 64 CO 0.47 -0.37 1.92 0.40 -0.54 0.00 0.00 174.62 176.50 3fmt h ILE 65 N -1.39 1.20 -0.47 2.99 1.08 -1.97 0.35 117.51 119.30 3fmt h ILE 65 Ca -0.48 -0.44 -0.03 0.00 -0.39 0.00 0.00 64.86 63.53 3fmt h ILE 65 Cb 1.27 -0.19 -0.02 0.00 -3.07 0.00 0.00 36.82 34.81 3fmt h ILE 65 CO 0.55 0.23 0.19 0.11 -0.69 0.00 0.00 178.15 178.54 3fmt h LYS 66 N 1.28 0.69 -0.76 2.37 1.57 -1.98 0.17 116.57 119.91 3fmt h LYS 66 Ca 0.38 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 59.00 3fmt h LYS 66 Cb -0.05 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 3fmt h LYS 66 CO -0.11 0.62 0.34 -0.44 -0.57 0.00 0.00 179.45 179.30 3fmt h ASP 67 N 0.61 1.02 -0.16 0.86 3.32 -1.79 0.17 116.42 120.45 3fmt h ASP 67 Ca 0.16 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3fmt h ASP 67 Cb 0.19 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3fmt h ASP 67 CO -0.01 0.89 0.09 0.11 -1.72 0.00 0.00 179.24 178.60 3fmt h LYS 68 N 1.08 0.23 -0.84 3.56 1.57 -0.63 -1.56 116.57 119.98 3fmt h LYS 68 Ca 0.26 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.98 3fmt h LYS 68 Cb 0.16 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 3fmt h LYS 68 CO -0.03 0.23 0.42 0.28 -0.57 0.00 0.00 179.45 179.78 3fmt h VAL 69 N 0.17 1.25 0.00 0.50 2.07 -0.30 -2.32 116.25 117.62 3fmt h VAL 69 Ca 0.06 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 3fmt h VAL 69 Cb 0.06 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 3fmt h VAL 69 CO -0.01 0.30 -0.00 -0.09 0.02 0.00 0.00 177.57 177.79 3fmt h ARG 70 N 1.19 -0.00 -1.00 1.57 2.43 -0.48 -1.42 114.38 116.66 3fmt h ARG 70 Ca 0.29 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.57 3fmt h ARG 70 Cb 0.09 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.56 3fmt h ARG 70 CO -0.04 0.02 0.64 0.00 -1.51 0.00 0.00 179.97 179.08 3fmt h ALA 71 N 0.97 1.50 -0.30 2.80 0.00 -0.97 0.29 119.26 123.55 3fmt h ALA 71 Ca -0.00 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 3fmt h ALA 71 Cb 0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3fmt h ALA 71 CO 0.00 0.28 -0.51 0.52 0.00 0.00 0.00 179.25 179.54 3fmt h MET 72 N 1.04 0.85 -0.27 0.00 2.86 -1.23 -1.75 114.93 116.44 3fmt h MET 72 Ca 0.48 -0.52 -0.04 0.00 -2.06 0.00 0.00 59.70 57.56 3fmt h MET 72 Cb 0.41 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 3fmt h MET 72 CO -0.24 1.16 0.00 0.00 1.06 0.00 0.00 176.91 178.89 3fmt h ARG 73 N 0.66 0.47 -0.85 1.72 3.08 -0.14 -1.52 114.38 117.80 3fmt h ARG 73 Ca 0.02 -0.15 0.12 0.00 0.07 0.00 0.00 59.98 60.05 3fmt h ARG 73 Cb 1.11 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 31.03 3fmt h ARG 73 CO 0.11 0.63 0.46 0.93 -1.07 0.00 0.00 179.97 181.04 3fmt h GLU 74 N 0.25 0.69 -0.05 0.04 5.08 -0.47 -2.36 114.58 117.77 3fmt h GLU 74 Ca 0.08 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3fmt h GLU 74 Cb 0.42 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 3fmt h GLU 74 CO 0.01 0.46 0.03 1.25 -1.00 0.00 0.00 179.01 179.76 3fmt h LEU 75 N 0.72 0.07 -1.75 1.33 5.85 -0.88 0.57 115.31 121.22 3fmt h LEU 75 Ca 0.44 -0.08 0.08 0.00 0.84 0.00 0.00 57.88 59.16 3fmt h LEU 75 Cb 0.52 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 3fmt h LEU 75 CO -0.31 0.13 0.32 -0.07 -0.34 0.00 0.00 178.44 178.16 3fmt h LEU 76 N -0.00 0.27 0.00 2.25 3.38 -0.85 -0.59 115.31 119.76 3fmt h LEU 76 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3fmt h LEU 76 Cb 0.08 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3fmt h LEU 76 CO -0.00 0.17 -0.93 0.18 0.09 0.00 0.00 178.44 177.94 3fmt n LEU 77 N -4.47 0.77 -4.59 1.67 4.77 -0.90 -4.83 117.00 109.43 3fmt n LEU 77 Ca 0.07 0.26 -0.36 0.00 -0.03 0.00 0.00 56.01 55.95 3fmt n LEU 77 Cb 0.32 -0.09 0.08 0.00 -2.33 0.00 0.00 43.42 41.40 3fmt n LEU 77 CO 0.35 -0.13 0.45 -1.54 -1.33 0.00 0.00 177.39 175.19 3fmt n SER 78 N -2.45 0.18 -0.09 -1.43 3.41 0.19 -4.92 113.62 108.51 3fmt n SER 78 Ca 0.01 0.65 -0.11 0.00 -0.26 0.00 0.00 58.87 59.16 3fmt n SER 78 Cb 0.51 -1.37 -0.04 0.00 -0.26 0.00 0.00 64.21 63.05 3fmt n SER 78 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3fmt h ASP 79 N -0.28 0.49 -0.96 4.04 3.32 -1.88 -3.10 116.42 118.05 3fmt h ASP 79 Ca -0.47 -0.33 0.24 0.00 0.02 0.00 0.00 57.03 56.49 3fmt h ASP 79 Cb 1.34 -0.13 -0.12 0.00 0.22 0.00 0.00 39.33 40.63 3fmt h ASP 79 CO 0.46 0.71 0.52 -0.08 -1.72 0.00 0.00 179.24 179.13 3fmt h GLU 80 N 0.27 0.50 -0.21 3.56 4.81 -1.91 -0.15 114.58 121.45 3fmt h GLU 80 Ca 0.07 -0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 59.11 3fmt h GLU 80 Cb 0.47 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 3fmt h GLU 80 CO 0.02 0.33 -0.54 -0.92 -0.73 0.00 0.00 179.01 177.17 3fmt h TYR 81 N 0.51 0.76 -0.26 0.92 3.20 -1.77 -2.71 116.97 117.62 3fmt h TYR 81 Ca 0.61 -0.26 -0.10 0.00 3.14 0.00 0.00 58.73 62.12 3fmt h TYR 81 Cb 1.17 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 3fmt h TYR 81 CO -0.05 1.01 -0.25 0.00 -1.64 0.00 0.00 178.16 177.23 3fmt h ALA 82 N 0.94 1.09 0.00 1.82 0.00 -1.04 -2.99 119.26 119.08 3fmt h ALA 82 Ca 0.01 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 3fmt h ALA 82 Cb 1.09 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3fmt h ALA 82 CO 0.10 0.56 -0.20 0.93 0.00 0.00 0.00 179.25 180.65 3fmt h GLU 83 N 0.45 0.00 -6.41 0.00 5.08 -0.89 -3.42 114.58 109.39 3fmt h GLU 83 Ca 0.07 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.90 3fmt h GLU 83 Cb 0.67 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.94 3fmt h GLU 83 CO 0.05 0.20 1.19 -0.65 -1.00 0.00 0.00 179.01 178.80 3fmt s GLN 84 N -4.43 4.14 -0.06 2.33 -1.52 -1.12 -4.90 119.66 114.10 3fmt s GLN 84 Ca -0.03 2.61 -0.27 0.00 -1.95 0.00 0.00 55.36 55.72 3fmt s GLN 84 Cb 0.15 -3.96 -0.22 0.00 -0.22 0.00 0.00 33.01 28.75 3fmt s GLN 84 CO 0.67 -0.92 1.09 0.87 -0.25 0.00 0.00 175.29 176.75 3fmt h LYS 85 N 9.90 0.02 -5.59 2.91 1.57 -1.89 -3.46 116.57 120.02 3fmt h LYS 85 Ca -0.48 -0.02 -0.50 0.00 -1.87 0.00 0.00 60.65 57.78 3fmt h LYS 85 Cb 1.23 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.40 3fmt h LYS 85 CO 0.94 0.69 -0.69 1.03 -0.57 0.00 0.00 179.45 180.85 3fmt s ARG 86 N -3.50 1.53 0.13 3.15 0.52 -1.26 -5.04 118.95 114.47 3fmt s ARG 86 Ca -0.17 -1.75 -0.31 0.00 -0.52 0.00 0.00 55.73 52.98 3fmt s ARG 86 Cb 0.00 -1.22 -0.10 0.00 0.52 0.00 0.00 34.95 34.15 3fmt s ARG 86 CO 0.69 0.10 1.51 0.00 0.02 0.00 0.00 175.30 177.61 3fmt h ALA 87 N 2.32 -0.73 -1.34 2.13 0.00 -1.92 0.16 119.26 119.89 3fmt h ALA 87 Ca -0.40 0.01 0.43 0.00 0.00 0.00 0.00 54.91 54.95 3fmt h ALA 87 Cb 1.23 1.13 -0.12 0.00 0.00 0.00 0.00 17.79 20.03 3fmt h ALA 87 CO 0.66 -1.00 0.87 -0.24 0.00 0.00 0.00 179.25 179.54 3fmt h VAL 88 N -0.34 0.16 -0.13 0.00 3.04 -1.97 0.34 116.25 117.35 3fmt h VAL 88 Ca 0.08 -0.04 -0.12 0.00 -1.01 0.00 0.00 66.70 65.61 3fmt h VAL 88 Cb 0.54 0.05 0.00 0.00 -2.01 0.00 0.00 31.29 29.87 3fmt h VAL 88 CO -0.59 0.02 -0.38 0.78 -1.01 0.00 0.00 177.57 176.39 3fmt h ASN 89 N 0.10 0.56 -0.19 3.17 2.35 -1.09 -1.40 115.58 119.08 3fmt h ASN 89 Ca 0.80 -0.60 -0.01 0.00 -0.55 0.00 0.00 56.30 55.94 3fmt h ASN 89 Cb 2.55 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 40.75 3fmt h ASN 89 CO -0.36 1.06 0.08 0.03 -1.65 0.00 0.00 177.43 176.58 3fmt h ARG 90 N 0.09 0.29 -0.62 0.81 3.08 -0.36 -2.02 114.38 115.65 3fmt h ARG 90 Ca -0.01 -0.05 0.10 0.00 0.07 0.00 0.00 59.98 60.09 3fmt h ARG 90 Cb 1.00 -0.05 -0.11 0.00 0.08 0.00 0.00 29.97 30.89 3fmt h ARG 90 CO 0.08 0.34 -0.37 0.35 -1.07 0.00 0.00 179.97 179.30 3fmt h PHE 91 N 0.16 -1.06 -0.06 3.04 3.57 -0.45 0.10 116.94 122.25 3fmt h PHE 91 Ca 0.06 0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 3fmt h PHE 91 Cb 0.16 0.55 -0.00 0.00 2.79 0.00 0.00 35.95 39.45 3fmt h PHE 91 CO -0.02 -0.40 0.03 0.52 -2.23 0.00 0.00 178.31 176.21 3fmt h MET 92 N -0.17 0.09 -0.33 1.11 2.86 -1.13 -2.26 114.93 115.10 3fmt h MET 92 Ca 0.22 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.87 3fmt h MET 92 Cb 0.56 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 3fmt h MET 92 CO -0.71 0.19 0.22 1.25 1.06 0.00 0.00 176.91 178.92 3fmt h LEU 93 N -0.04 0.32 -0.52 1.22 5.85 -0.73 -0.08 115.31 121.34 3fmt h LEU 93 Ca 0.02 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 3fmt h LEU 93 Cb 0.13 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3fmt h LEU 93 CO -0.00 0.23 0.14 -0.07 -0.34 0.00 0.00 178.44 178.40 3fmt h LEU 94 N 0.38 0.77 -0.02 2.25 3.38 -0.44 -2.04 115.31 119.58 3fmt h LEU 94 Ca 0.13 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3fmt h LEU 94 Cb 0.05 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3fmt h LEU 94 CO -0.03 0.79 -0.00 -0.07 0.09 0.00 0.00 178.44 179.21 3fmt h LEU 95 N 0.71 0.04 -0.61 1.67 3.38 -0.51 -0.35 115.31 119.64 3fmt h LEU 95 Ca 0.16 -0.37 0.13 0.00 0.09 0.00 0.00 57.88 57.89 3fmt h LEU 95 Cb 0.30 -0.01 -0.11 0.00 0.09 0.00 0.00 40.66 40.94 3fmt h LEU 95 CO -0.00 0.40 -0.03 0.28 0.09 0.00 0.00 178.44 179.18 3fmt h SER 96 N -0.32 -0.33 -0.26 -0.43 0.02 -1.09 -0.04 113.55 111.09 3fmt h SER 96 Ca 0.01 0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 3fmt h SER 96 Cb 0.38 0.29 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 3fmt h SER 96 CO 0.00 -0.13 -0.01 0.74 -1.14 0.00 0.00 176.83 176.29 3fmt h THR 97 N 0.09 1.26 -0.47 -2.27 2.02 -1.25 -2.06 112.91 110.23 3fmt h THR 97 Ca 0.31 -0.96 0.05 0.00 0.77 0.00 0.00 66.41 66.59 3fmt h THR 97 Cb 0.50 1.36 -0.05 0.00 -1.74 0.00 0.00 68.15 68.23 3fmt h THR 97 CO -0.54 0.30 0.19 -0.07 0.37 0.00 0.00 175.52 175.77 3fmt h LEU 98 N 0.25 0.24 -1.03 2.58 3.38 -0.38 -1.91 115.31 118.45 3fmt h LEU 98 Ca 0.07 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3fmt h LEU 98 Cb 0.45 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 3fmt h LEU 98 CO 0.02 0.17 0.41 0.22 0.09 0.00 0.00 178.44 179.35 3fmt h TYR 99 N 0.39 1.08 0.00 1.13 5.03 -0.89 -1.80 116.97 121.91 3fmt h TYR 99 Ca 0.22 -0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.48 3fmt h TYR 99 Cb 0.18 -0.34 -0.00 0.00 1.55 0.00 0.00 36.73 38.12 3fmt h TYR 99 CO -0.13 0.76 -0.09 0.66 -1.32 0.00 0.00 178.16 178.03 3fmt h SER 100 N 1.09 0.00 0.37 -2.11 4.64 -0.63 -2.87 113.55 114.05 3fmt h SER 100 Ca 0.27 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.29 3fmt h SER 100 Cb 0.06 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.17 3fmt h SER 100 CO -0.04 0.09 -1.33 -0.07 -0.87 0.00 0.00 176.83 174.62 3fmt h LEU 101 N 0.00 0.70 -6.00 5.97 3.38 -0.86 -3.44 115.31 115.06 3fmt h LEU 101 Ca -0.00 -0.71 -0.03 0.00 0.09 0.00 0.00 57.88 57.23 3fmt h LEU 101 Cb 0.45 -0.22 -0.20 0.00 0.09 0.00 0.00 40.66 40.78 3fmt h LEU 101 CO 0.01 1.55 -0.42 -0.62 0.09 0.00 0.00 178.44 179.05 3fmt s ASP 102 N -7.39 -1.56 0.14 -0.43 -1.08 -1.13 -4.47 116.67 100.76 3fmt s ASP 102 Ca -0.07 -0.39 -0.18 0.00 -0.52 0.00 0.00 52.55 51.39 3fmt s ASP 102 Cb 0.06 1.99 0.02 0.00 -1.46 0.00 0.00 42.92 43.52 3fmt s ASP 102 CO 0.92 -0.22 1.74 0.00 0.52 0.00 0.00 175.17 178.13 3fmt h ALA 103 N 7.41 0.32 0.10 3.66 0.00 -1.80 -0.77 119.26 128.17 3fmt h ALA 103 Ca 0.03 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3fmt h ALA 103 Cb 1.18 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 3fmt h ALA 103 CO 0.12 -0.33 -0.29 1.96 0.00 0.00 0.00 179.25 180.71 3fmt h GLN 104 N 0.20 -0.48 -0.16 0.00 1.08 -1.96 0.10 115.11 113.89 3fmt h GLN 104 Ca 0.13 0.03 0.02 0.00 -1.45 0.00 0.00 58.65 57.38 3fmt h GLN 104 Cb 0.12 0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 3fmt h GLN 104 CO -0.15 -0.32 0.03 0.00 -0.95 0.00 0.00 178.83 177.44 3fmt h ALA 105 N 0.21 0.16 -0.26 3.87 0.00 -1.91 -1.15 119.26 120.17 3fmt h ALA 105 Ca 0.04 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3fmt h ALA 105 Cb 0.54 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 3fmt h ALA 105 CO -0.19 -0.41 -0.18 0.35 0.00 0.00 0.00 179.25 178.82 3fmt h PHE 106 N 0.10 -0.46 -0.29 0.00 3.04 -0.93 0.27 116.94 118.67 3fmt h PHE 106 Ca 0.07 0.03 0.07 0.00 3.98 0.00 0.00 57.97 62.12 3fmt h PHE 106 Cb 0.07 0.24 -0.08 0.00 2.56 0.00 0.00 35.95 38.74 3fmt h PHE 106 CO -0.13 -0.26 -0.28 0.00 -2.02 0.00 0.00 178.31 175.62 3fmt h ALA 107 N 0.99 -0.17 -0.57 2.41 0.00 -0.30 -0.47 119.26 121.15 3fmt h ALA 107 Ca 0.14 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3fmt h ALA 107 Cb 0.38 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3fmt h ALA 107 CO -0.36 -0.70 0.30 0.93 0.00 0.00 0.00 179.25 179.42 3fmt h GLU 108 N -0.27 0.80 0.00 0.00 5.08 -0.40 -0.03 114.58 119.76 3fmt h GLU 108 Ca 0.15 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3fmt h GLU 108 Cb 0.50 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 3fmt h GLU 108 CO -0.44 0.62 -0.00 0.00 -1.00 0.00 0.00 179.01 178.19 3fmt h ALA 109 N 1.13 1.04 0.00 3.43 0.00 0.34 -3.11 119.26 122.08 3fmt h ALA 109 Ca 0.20 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.81 3fmt h ALA 109 Cb 0.07 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 3fmt h ALA 109 CO -0.03 0.00 -2.11 2.41 0.00 0.00 0.00 179.25 179.52 3fmt n THR 110 N -3.14 1.11 0.23 0.00 -1.04 -0.26 -4.45 114.28 106.73 3fmt n THR 110 Ca -0.03 -0.63 0.08 0.00 -2.04 0.00 0.00 64.05 61.44 3fmt n THR 110 Cb 0.09 -0.71 0.56 0.00 -1.82 0.00 0.00 70.33 68.45 3fmt n THR 110 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 3fmt h GLU 111 N 0.00 0.00 -0.65 -2.82 4.81 -0.98 -1.95 114.58 112.99 3fmt h GLU 111 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 3fmt h GLU 111 Cb 1.92 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.30 3fmt h GLU 111 CO 0.00 0.21 0.00 -1.13 -0.73 0.00 0.00 179.01 177.36 3fmt n SER 112 N -3.87 4.61 -4.35 1.04 3.41 -1.25 -4.90 113.62 108.31 3fmt n SER 112 Ca -0.02 -2.44 -0.38 0.00 -0.26 0.00 0.00 58.87 55.77 3fmt n SER 112 Cb 0.30 -0.57 -0.12 0.00 -0.26 0.00 0.00 64.21 63.56 3fmt n SER 112 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3fmt s LEU 113 N -1.81 4.13 0.33 1.04 2.96 -0.73 -5.04 118.68 119.55 3fmt s LEU 113 Ca 0.49 -0.82 -0.18 0.00 -0.22 0.00 0.00 54.13 53.41 3fmt s LEU 113 Cb 0.32 -1.92 0.06 0.00 0.50 0.00 0.00 46.19 45.15 3fmt s LEU 113 CO 0.23 -0.25 0.87 -1.38 -1.32 0.00 0.00 176.35 174.50 3fmt s HIS 114 N 1.50 0.11 0.00 5.38 -3.43 -1.26 -3.73 115.29 113.87 3fmt s HIS 114 Ca 0.02 -0.71 0.00 0.00 -0.80 0.00 0.00 55.06 53.57 3fmt s HIS 114 Cb -0.18 0.80 0.00 0.00 -1.43 0.00 0.00 32.58 31.77 3fmt s HIS 114 CO 0.04 -1.38 0.00 0.41 -2.00 0.00 0.00 174.74 171.81 3fmt n GLY 115 N -0.59 5.58 0.12 -1.38 0.00 -0.56 -4.96 105.19 103.40 3fmt n GLY 115 Ca -0.07 -1.99 -0.12 0.00 0.00 0.00 0.00 46.02 43.84 3fmt n GLY 115 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3fmt h ARG 116 N 0.00 0.28 0.00 1.61 2.43 -2.03 -3.40 114.38 113.27 3fmt h ARG 116 Ca 0.00 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 3fmt h ARG 116 Cb 0.00 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3fmt h ARG 116 CO 0.00 0.50 -0.67 0.25 -1.51 0.00 0.00 179.97 178.54 3fmt n THR 117 N -4.74 0.00 -2.93 0.20 -2.24 -1.26 -4.97 114.28 98.33 3fmt n THR 117 Ca -0.05 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.33 3fmt n THR 117 Cb 0.22 -0.48 -0.06 0.00 -2.10 0.00 0.00 70.33 67.91 3fmt n THR 117 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3fmt s ARG 118 N -1.61 4.60 0.07 -0.78 0.52 -1.26 -4.37 118.95 116.11 3fmt s ARG 118 Ca 0.00 1.20 -0.20 0.00 -0.52 0.00 0.00 55.73 56.22 3fmt s ARG 118 Cb 0.00 -3.29 -0.07 0.00 0.52 0.00 0.00 34.95 32.11 3fmt s ARG 118 CO 0.00 0.48 0.57 0.08 0.02 0.00 0.00 175.30 176.46 3fmt s VAL 119 N -0.85 4.75 -0.17 3.52 1.01 -1.26 -1.49 120.40 125.90 3fmt s VAL 119 Ca 0.38 1.23 -0.13 0.00 0.00 0.00 0.00 61.98 63.46 3fmt s VAL 119 Cb -0.23 -3.91 -0.22 0.00 0.00 0.00 0.00 36.38 32.02 3fmt s VAL 119 CO 0.27 0.54 0.25 -1.22 0.00 0.00 0.00 175.10 174.94 3fmt n TYR 120 N 1.80 1.07 -4.27 5.22 4.02 -1.24 -4.79 117.16 118.97 3fmt n TYR 120 Ca -0.10 0.31 -0.22 0.00 -0.01 0.00 0.00 57.90 57.88 3fmt n TYR 120 Cb 0.51 -1.13 -0.12 0.00 -0.02 0.00 0.00 39.34 38.58 3fmt n TYR 120 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 3fmt s PHE 121 N -2.48 1.62 0.21 -0.72 0.40 -1.26 -2.20 117.98 113.55 3fmt s PHE 121 Ca -0.26 -0.43 -0.16 0.00 -0.60 0.00 0.00 56.93 55.48 3fmt s PHE 121 Cb 0.07 -0.90 0.02 0.00 0.51 0.00 0.00 43.02 42.72 3fmt s PHE 121 CO 0.68 0.16 0.52 0.00 0.70 0.00 0.00 175.22 177.28 3fmt s ALA 122 N -1.18 -0.74 -2.17 5.36 0.00 -0.76 -4.99 121.76 117.30 3fmt s ALA 122 Ca 0.04 -0.44 0.17 0.00 0.00 0.00 0.00 51.96 51.74 3fmt s ALA 122 Cb -0.10 0.90 0.54 0.00 0.00 0.00 0.00 23.12 24.46 3fmt s ALA 122 CO 0.04 -0.83 1.42 0.00 0.00 0.00 0.00 175.76 176.38 3fmt n ALA 123 N -0.35 2.47 -3.17 0.00 0.00 -1.26 -0.68 120.51 117.52 3fmt n ALA 123 Ca -0.07 -0.65 -0.10 0.00 0.00 0.00 0.00 53.44 52.62 3fmt n ALA 123 Cb 0.62 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 19.01 3fmt n ALA 123 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3fmt s ASP 124 N -1.30 -0.26 0.10 0.00 3.84 -1.26 -4.84 116.67 112.95 3fmt s ASP 124 Ca 0.30 -0.39 -0.14 0.00 -0.00 0.00 0.00 52.55 52.32 3fmt s ASP 124 Cb 0.16 0.53 -0.11 0.00 -1.38 0.00 0.00 42.92 42.12 3fmt s ASP 124 CO 0.23 -0.96 1.36 -0.08 -0.00 0.00 0.00 175.17 175.73 3fmt h GLU 125 N 2.26 0.73 -0.43 2.11 4.81 -1.97 -3.33 114.58 118.76 3fmt h GLU 125 Ca -0.31 -0.47 0.08 0.00 -0.13 0.00 0.00 59.36 58.53 3fmt h GLU 125 Cb 1.26 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 30.63 3fmt h GLU 125 CO 0.42 1.09 -0.04 1.96 -0.73 0.00 0.00 179.01 181.71 3fmt h GLN 126 N 0.45 0.06 -0.91 1.92 7.50 -1.98 -1.42 115.11 120.74 3fmt h GLN 126 Ca 0.01 -0.00 0.18 0.00 0.50 0.00 0.00 58.65 59.34 3fmt h GLN 126 Cb 1.06 -0.01 -0.11 0.00 0.05 0.00 0.00 27.48 28.47 3fmt h GLN 126 CO 0.10 0.04 0.48 1.15 -1.50 0.00 0.00 178.83 179.11 3fmt h THR 127 N 0.07 0.65 -0.21 -0.54 2.02 -1.99 0.74 112.91 113.64 3fmt h THR 127 Ca 0.21 -0.21 -0.19 0.00 0.77 0.00 0.00 66.41 66.99 3fmt h THR 127 Cb 0.31 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 3fmt h THR 127 CO -0.38 0.11 -0.60 -0.07 0.37 0.00 0.00 175.52 174.94 3fmt h LEU 128 N 0.60 0.90 -1.18 2.58 3.38 -1.44 -2.52 115.31 117.63 3fmt h LEU 128 Ca 0.53 -0.58 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 3fmt h LEU 128 Cb 0.85 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3fmt h LEU 128 CO -0.41 1.32 -0.40 -0.07 0.09 0.00 0.00 178.44 178.97 3fmt h LEU 129 N 0.52 0.00 0.02 1.67 3.38 -0.36 -2.45 115.31 118.09 3fmt h LEU 129 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3fmt h LEU 129 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3fmt h LEU 129 CO 0.13 0.40 -0.01 0.50 0.09 0.00 0.00 178.44 179.55 3fmt h LYS 130 N 0.00 -0.03 0.19 1.13 3.64 0.56 -3.38 116.57 118.69 3fmt h LYS 130 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3fmt h LYS 130 Cb 0.74 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 3fmt h LYS 130 CO 0.05 0.62 -0.09 -0.91 -2.27 0.00 0.00 179.45 176.84 3fmt h ASN 131 N -0.70 -0.22 -3.52 4.20 2.35 -1.53 -3.45 115.58 112.70 3fmt h ASN 131 Ca -0.00 0.01 -0.46 0.00 -0.55 0.00 0.00 56.30 55.30 3fmt h ASN 131 Cb 0.65 0.06 0.12 0.00 0.05 0.00 0.00 38.32 39.20 3fmt h ASN 131 CO 0.00 0.21 0.30 -0.83 -1.65 0.00 0.00 177.43 175.46 3fmt s GLY 132 N -3.11 1.74 -0.10 2.83 0.00 -0.92 -4.72 107.32 103.04 3fmt s GLY 132 Ca -0.04 -1.24 -0.19 0.00 0.00 0.00 0.00 44.72 43.25 3fmt s GLY 132 CO 0.11 -0.62 0.47 0.21 0.00 0.00 0.00 173.10 173.27 3fmt s ASN 133 N -4.75 -0.43 -1.23 1.64 2.47 -1.26 -4.28 114.94 107.09 3fmt s ASN 133 Ca 0.68 0.64 0.00 0.00 0.42 0.00 0.00 52.86 54.61 3fmt s ASN 133 Cb -0.06 0.69 0.00 0.00 -1.45 0.00 0.00 41.25 40.43 3fmt s ASN 133 CO 0.49 -0.34 0.00 0.00 -3.72 0.00 0.00 177.10 173.53 3fmt n GLN 134 N 1.96 -1.00 0.01 0.43 1.13 -1.26 -4.86 117.38 113.79 3fmt n GLN 134 Ca -0.17 0.88 0.12 0.00 -1.94 0.00 0.00 57.00 55.89 3fmt n GLN 134 Cb 0.56 -4.94 0.52 0.00 0.11 0.00 0.00 30.24 26.49 3fmt n GLN 134 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3fmt n THR 135 N -2.57 0.32 -3.65 5.09 -2.24 -1.26 -4.65 114.28 105.32 3fmt n THR 135 Ca -0.12 0.05 -0.25 0.00 -2.27 0.00 0.00 64.05 61.46 3fmt n THR 135 Cb 0.43 -0.65 0.02 0.00 -2.10 0.00 0.00 70.33 68.03 3fmt n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3fmt n LYS 136 N -1.58 -1.24 -2.00 -0.78 4.76 -1.26 -0.78 118.16 115.29 3fmt n LYS 136 Ca 0.06 0.73 -0.41 0.00 -2.87 0.00 0.00 58.31 55.82 3fmt n LYS 136 Cb 0.30 -3.52 -0.02 0.00 -1.84 0.00 0.00 35.03 29.96 3fmt n LYS 136 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 3fmt s PRO 137 N -5.18 4.26 -0.01 1.97 0.02 -1.26 -1.81 135.00 132.99 3fmt s PRO 137 Ca 0.20 2.33 0.05 0.00 0.02 0.00 0.00 61.00 63.61 3fmt s PRO 137 Cb -0.08 -3.07 -0.01 0.00 0.02 0.00 0.00 34.50 31.35 3fmt s PRO 137 CO 0.87 -0.38 -0.17 0.15 -0.33 0.00 0.00 177.00 177.13 3fmt s LYS 138 N -1.04 1.35 0.14 5.54 1.02 0.02 -4.93 119.74 121.84 3fmt s LYS 138 Ca 0.56 -0.63 -0.30 0.00 0.02 0.00 0.00 55.97 55.62 3fmt s LYS 138 Cb -0.42 -1.32 -0.07 0.00 -0.52 0.00 0.00 37.83 35.50 3fmt s LYS 138 CO 0.49 0.36 1.07 -1.58 -0.92 0.00 0.00 175.35 174.77 3fmt s HIS 139 N -0.44 3.64 -0.34 3.18 5.65 -1.26 -1.24 115.29 124.47 3fmt s HIS 139 Ca 0.06 1.62 -0.25 0.00 0.25 0.00 0.00 55.06 56.74 3fmt s HIS 139 Cb -0.07 -3.23 0.01 0.00 -1.18 0.00 0.00 32.58 28.12 3fmt s HIS 139 CO -0.00 -0.45 0.89 0.08 -0.65 0.00 0.00 174.74 174.61 3fmt s VAL 140 N -0.01 4.65 0.42 0.89 1.01 0.31 -4.94 120.40 122.73 3fmt s VAL 140 Ca 0.50 1.23 -0.25 0.00 0.00 0.00 0.00 61.98 63.45 3fmt s VAL 140 Cb -0.28 -4.28 -0.10 0.00 0.00 0.00 0.00 36.38 31.73 3fmt s VAL 140 CO 0.33 -0.44 1.23 -2.65 0.00 0.00 0.00 175.10 173.57 3fmt n PRO 141 N 6.58 1.83 -3.37 2.72 -0.02 -1.26 -2.78 135.00 138.69 3fmt n PRO 141 Ca 0.06 0.65 -0.19 0.00 -2.02 0.00 0.00 63.50 62.01 3fmt n PRO 141 Cb 0.48 -2.33 0.07 0.00 -0.02 0.00 0.00 33.50 31.70 3fmt n PRO 141 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fmt n GLY 142 N 0.87 -0.27 3.62 -1.23 0.00 -1.26 -4.57 105.19 102.35 3fmt n GLY 142 Ca 0.07 0.08 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 3fmt n GLY 142 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fmt s THR 143 N -3.27 0.00 -2.01 2.61 2.01 -1.12 -4.78 115.64 109.08 3fmt s THR 143 Ca 0.42 0.00 0.11 0.00 0.31 0.00 0.00 61.69 62.53 3fmt s THR 143 Cb -0.18 -1.00 0.31 0.00 0.01 0.00 0.00 72.50 71.64 3fmt s THR 143 CO 0.60 0.00 1.41 -2.65 -0.69 0.00 0.00 174.62 173.29 3fmt n PRO 144 N 2.04 1.06 -4.07 4.92 -0.02 -1.26 -4.70 135.00 132.97 3fmt n PRO 144 Ca -0.13 -0.10 -0.29 0.00 -2.02 0.00 0.00 63.50 60.96 3fmt n PRO 144 Cb 0.56 -1.18 -0.06 0.00 -0.02 0.00 0.00 33.50 32.79 3fmt n PRO 144 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3fmt s TYR 145 N -1.97 3.14 0.06 6.00 1.51 -1.26 -4.57 117.35 120.26 3fmt s TYR 145 Ca 0.17 0.04 0.07 0.00 -1.01 0.00 0.00 57.07 56.33 3fmt s TYR 145 Cb 0.08 -1.58 -0.04 0.00 -0.11 0.00 0.00 41.96 40.32 3fmt s TYR 145 CO 0.13 0.51 -0.15 -1.58 -1.11 0.00 0.00 175.55 173.36 3fmt s TRP 146 N -1.46 2.64 0.05 2.71 0.52 0.14 -0.53 118.94 123.02 3fmt s TRP 146 Ca 0.29 -0.20 0.02 0.00 0.02 0.00 0.00 56.10 56.23 3fmt s TRP 146 Cb -0.12 -1.46 -0.03 0.00 -1.15 0.00 0.00 33.47 30.72 3fmt s TRP 146 CO 0.22 0.33 -0.07 0.54 0.02 0.00 0.00 176.95 177.98 3fmt s VAL 147 N -1.03 0.55 0.44 4.03 0.11 -0.37 -1.82 120.40 122.31 3fmt s VAL 147 Ca 0.17 -1.26 -0.21 0.00 -2.93 0.00 0.00 61.98 57.75 3fmt s VAL 147 Cb -0.11 -0.83 -0.10 0.00 -1.53 0.00 0.00 36.38 33.81 3fmt s VAL 147 CO 0.08 -0.50 0.98 0.27 -3.33 0.00 0.00 175.10 172.60 3fmt s ILE 148 N -1.89 4.18 -0.02 7.04 -4.36 -0.94 -0.80 121.20 124.41 3fmt s ILE 148 Ca -0.05 1.37 0.02 0.00 -0.26 0.00 0.00 60.65 61.73 3fmt s ILE 148 Cb -0.07 -3.56 -0.02 0.00 1.25 0.00 0.00 42.46 40.06 3fmt s ILE 148 CO -0.01 -0.28 0.01 0.41 0.24 0.00 0.00 174.94 175.31 3fmt n THR 149 N -0.70 0.13 -2.00 8.37 -1.04 0.04 -4.88 114.28 114.20 3fmt n THR 149 Ca 0.08 -0.08 -0.26 0.00 -2.04 0.00 0.00 64.05 61.74 3fmt n THR 149 Cb 0.53 -0.94 -0.07 0.00 -1.82 0.00 0.00 70.33 68.04 3fmt n THR 149 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3fmt s ASN 150 N -3.27 4.79 -0.00 8.00 3.04 -0.63 -4.81 114.94 122.06 3fmt s ASN 150 Ca -0.01 -1.59 -0.24 0.00 0.04 0.00 0.00 52.86 51.05 3fmt s ASN 150 Cb 0.01 -2.59 0.05 0.00 -1.54 0.00 0.00 41.25 37.18 3fmt s ASN 150 CO 0.08 -3.34 0.54 0.42 -3.04 0.00 0.00 177.10 171.76 3fmt s THR 151 N 11.93 0.02 0.82 -5.21 -4.23 -1.26 -4.93 115.64 112.78 3fmt s THR 151 Ca 0.70 -0.19 -0.11 0.00 -1.18 0.00 0.00 61.69 60.91 3fmt s THR 151 Cb -0.01 -0.92 0.08 0.00 1.34 0.00 0.00 72.50 72.99 3fmt s THR 151 CO 0.14 -0.10 1.10 0.54 -0.54 0.00 0.00 174.62 175.76 3fmt s ASN 152 N -1.54 4.31 0.33 3.99 2.20 -1.26 -4.88 114.94 118.08 3fmt s ASN 152 Ca -0.09 1.33 0.01 0.00 -0.94 0.00 0.00 52.86 53.17 3fmt s ASN 152 Cb -0.01 -2.05 0.56 0.00 -2.00 0.00 0.00 41.25 37.75 3fmt s ASN 152 CO 0.04 -2.09 1.98 0.74 -2.94 0.00 0.00 177.10 174.83 3fmt h THR 153 N -1.17 1.15 0.19 0.54 2.02 -1.98 -2.17 112.91 111.49 3fmt h THR 153 Ca -0.47 -0.33 0.01 0.00 0.77 0.00 0.00 66.41 66.39 3fmt h THR 153 Cb 1.27 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 3fmt h THR 153 CO 0.59 0.18 -0.32 1.23 0.37 0.00 0.00 175.52 177.56 3fmt h GLY 154 N 0.96 -0.66 1.78 2.16 0.00 -1.98 -1.68 103.07 103.67 3fmt h GLY 154 Ca 0.29 0.38 0.01 0.00 0.00 0.00 0.00 47.33 48.00 3fmt h GLY 154 CO -0.07 -0.26 0.13 -0.09 0.00 0.00 0.00 176.54 176.25 3fmt h ARG 155 N -0.59 0.24 -0.64 4.80 2.43 -1.84 -1.07 114.38 117.72 3fmt h ARG 155 Ca 0.01 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3fmt h ARG 155 Cb 0.59 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 3fmt h ARG 155 CO -0.14 0.16 0.23 0.87 -1.51 0.00 0.00 179.97 179.58 3fmt h LYS 156 N 0.25 0.95 -0.45 0.20 1.57 -0.72 -1.75 116.57 116.61 3fmt h LYS 156 Ca 0.08 -0.16 -0.13 0.00 -1.87 0.00 0.00 60.65 58.57 3fmt h LYS 156 Cb 0.01 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 3fmt h LYS 156 CO -0.02 0.79 -0.21 0.00 -0.57 0.00 0.00 179.45 179.45 3fmt h SER 158 N 0.78 0.53 -0.41 0.00 0.02 -0.98 0.47 113.55 113.96 3fmt h SER 158 Ca 0.10 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.05 3fmt h SER 158 Cb 0.78 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.23 3fmt h SER 158 CO 0.06 0.34 0.14 0.24 -1.14 0.00 0.00 176.83 176.47 3fmt h MET 159 N 0.67 0.64 -0.21 3.45 2.07 -1.18 0.14 114.93 120.50 3fmt h MET 159 Ca 0.30 -0.13 -0.05 0.00 -2.07 0.00 0.00 59.70 57.75 3fmt h MET 159 Cb 0.20 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 29.83 3fmt h MET 159 CO -0.19 0.62 -0.06 0.82 1.07 0.00 0.00 176.91 179.17 3fmt h ILE 160 N 0.52 1.29 -0.18 -1.22 1.08 -0.74 -1.10 117.51 117.16 3fmt h ILE 160 Ca 0.13 -1.07 0.04 0.00 -0.39 0.00 0.00 64.86 63.57 3fmt h ILE 160 Cb 0.25 1.55 -0.04 0.00 -3.07 0.00 0.00 36.82 35.51 3fmt h ILE 160 CO -0.01 0.33 -0.05 -0.08 -0.69 0.00 0.00 178.15 177.65 3fmt h GLU 161 N 0.14 -0.01 -0.86 2.37 4.81 -0.02 0.67 114.58 121.67 3fmt h GLU 161 Ca 0.05 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3fmt h GLU 161 Cb 0.53 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.87 3fmt h GLU 161 CO 0.02 -0.01 0.57 1.25 -0.73 0.00 0.00 179.01 180.12 3fmt h HIS 162 N -0.01 1.09 0.16 0.92 2.76 -0.85 0.85 115.15 120.06 3fmt h HIS 162 Ca 0.09 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.27 3fmt h HIS 162 Cb 0.15 -0.37 0.00 0.00 1.55 0.00 0.00 27.41 28.74 3fmt h HIS 162 CO -0.21 0.69 -0.08 0.82 -1.30 0.00 0.00 177.93 177.85 3fmt h ILE 163 N 1.17 0.94 -0.46 6.26 2.04 -0.78 -2.04 117.51 124.64 3fmt h ILE 163 Ca 0.32 -0.46 -0.06 0.00 1.00 0.00 0.00 64.86 65.65 3fmt h ILE 163 Cb -0.13 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3fmt h ILE 163 CO -0.07 0.11 0.03 0.24 0.00 0.00 0.00 178.15 178.46 3fmt h MET 164 N -0.44 0.75 -0.60 2.37 2.86 -0.65 0.99 114.93 120.21 3fmt h MET 164 Ca -0.02 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 3fmt h MET 164 Cb 0.34 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 3fmt h MET 164 CO 0.04 0.74 0.38 1.96 1.06 0.00 0.00 176.91 181.09 3fmt h GLN 165 N 0.71 0.80 -0.46 1.72 4.20 -0.82 -1.29 115.11 119.97 3fmt h GLN 165 Ca 0.14 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.72 3fmt h GLN 165 Cb 0.39 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 3fmt h GLN 165 CO 0.01 0.55 -0.02 1.03 -0.67 0.00 0.00 178.83 179.73 3fmt h SER 166 N 0.81 0.74 -0.05 1.46 0.87 -0.59 -2.13 113.55 114.66 3fmt h SER 166 Ca 0.22 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 3fmt h SER 166 Cb -0.07 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.70 3fmt h SER 166 CO -0.04 0.82 0.00 0.23 -0.53 0.00 0.00 176.83 177.30 3fmt n MET 167 N -4.21 1.14 -3.17 2.24 2.81 0.27 -4.90 117.12 111.30 3fmt n MET 167 Ca 0.02 -0.22 -0.15 0.00 -1.81 0.00 0.00 57.70 55.55 3fmt n MET 167 Cb 0.31 -1.18 0.06 0.00 -0.71 0.00 0.00 33.22 31.69 3fmt n MET 167 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3fmt n GLN 168 N -0.45 -5.32 -3.27 0.03 6.02 -0.64 -5.03 117.38 108.71 3fmt n GLN 168 Ca 0.08 0.61 -0.32 0.00 -0.01 0.00 0.00 57.00 57.37 3fmt n GLN 168 Cb 0.08 -4.95 -0.05 0.00 1.02 0.00 0.00 30.24 26.35 3fmt n GLN 168 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3fmt s PHE 169 N -3.25 3.42 0.25 1.08 0.08 -0.58 -5.04 117.98 113.94 3fmt s PHE 169 Ca 0.22 0.96 -0.31 0.00 0.12 0.00 0.00 56.93 57.92 3fmt s PHE 169 Cb -0.10 -2.34 -0.13 0.00 -0.57 0.00 0.00 43.02 39.89 3fmt s PHE 169 CO 0.53 0.17 1.51 -2.30 -0.10 0.00 0.00 175.22 175.03 3fmt n PRO 170 N -0.41 2.32 -0.27 0.24 -0.02 -1.26 -4.76 135.00 130.84 3fmt n PRO 170 Ca 0.01 0.83 0.11 0.00 -2.02 0.00 0.00 63.50 62.43 3fmt n PRO 170 Cb 0.53 -2.55 0.37 0.00 -0.02 0.00 0.00 33.50 31.83 3fmt n PRO 170 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fmt h ALA 171 N 4.76 1.81 -0.19 3.55 0.00 -1.98 -1.27 119.26 125.94 3fmt h ALA 171 Ca -0.46 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 3fmt h ALA 171 Cb 1.25 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3fmt h ALA 171 CO 0.80 -0.04 -0.33 1.05 0.00 0.00 0.00 179.25 180.73 3fmt h GLU 172 N 0.71 0.38 -0.07 0.00 -0.00 -1.99 -1.31 114.58 112.30 3fmt h GLU 172 Ca 0.44 -0.16 -0.02 0.00 -0.00 0.00 0.00 59.36 59.62 3fmt h GLU 172 Cb 0.67 -0.01 -0.00 0.00 -0.00 0.00 0.00 28.75 29.40 3fmt h GLU 172 CO -0.20 0.67 -0.02 1.25 -0.00 0.00 0.00 179.01 180.70 3fmt h LEU 173 N 0.33 0.14 -0.99 3.06 5.85 -1.63 -1.74 115.31 120.34 3fmt h LEU 173 Ca 0.04 -0.39 0.11 0.00 0.84 0.00 0.00 57.88 58.48 3fmt h LEU 173 Cb 0.74 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.65 3fmt h LEU 173 CO 0.06 0.50 0.62 0.40 -0.34 0.00 0.00 178.44 179.68 3fmt h ILE 174 N -0.22 0.95 0.09 4.05 2.04 -1.22 0.07 117.51 123.27 3fmt h ILE 174 Ca 0.02 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 3fmt h ILE 174 Cb 0.44 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 3fmt h ILE 174 CO 0.01 0.18 -0.04 -0.08 0.00 0.00 0.00 178.15 178.22 3fmt h GLU 175 N 1.01 -0.12 -0.57 2.37 4.81 -1.11 -1.72 114.58 119.25 3fmt h GLU 175 Ca 0.48 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.71 3fmt h GLU 175 Cb 0.43 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 3fmt h GLU 175 CO -0.25 0.03 0.33 0.87 -0.73 0.00 0.00 179.01 179.26 3fmt h LYS 176 N -0.25 0.77 -0.06 1.92 1.57 -0.59 -2.53 116.57 117.40 3fmt h LYS 176 Ca -0.01 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 3fmt h LYS 176 Cb 0.21 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 3fmt h LYS 176 CO 0.02 0.55 -0.04 0.28 -0.57 0.00 0.00 179.45 179.70 3fmt h VAL 177 N 0.79 1.35 0.00 0.50 2.07 -0.84 -3.11 116.25 117.00 3fmt h VAL 177 Ca 0.20 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 3fmt h VAL 177 Cb -0.01 1.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 3fmt h VAL 177 CO -0.04 0.30 -0.07 0.00 0.02 0.00 0.00 177.57 177.79 3fmt n GLY 179 N -1.14 -1.06 0.00 0.00 0.00 -0.97 -2.72 105.19 99.32 3fmt n GLY 179 Ca -0.03 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.09 3fmt n GLY 179 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fmt n THR 180 N -1.81 0.00 0.52 2.61 -2.24 -0.31 -5.11 114.28 107.93 3fmt n THR 180 Ca 0.02 -0.23 0.04 0.00 -2.27 0.00 0.00 64.05 61.62 3fmt n THR 180 Cb 0.17 0.62 0.25 0.00 -2.10 0.00 0.00 70.33 69.27 3fmt n THR 180 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12