#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1htn h LYS 27 N 0.00 0.05 0.16 1.96 3.64 -2.06 -2.31 116.57 118.02 1htn h LYS 27 Ca 0.00 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1htn h LYS 27 Cb 0.00 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 1htn h LYS 27 CO 0.00 0.04 -0.44 0.77 -2.27 0.00 0.00 179.45 177.55 1htn h SER 28 N 0.05 -1.29 -0.84 4.20 0.02 -2.05 -1.37 113.55 112.26 1htn h SER 28 Ca 0.79 0.13 0.08 0.00 -0.84 0.00 0.00 61.79 61.94 1htn h SER 28 Cb 1.98 0.47 -0.10 0.00 0.14 0.00 0.00 62.40 64.88 1htn h SER 28 CO -0.77 -0.48 -0.50 -1.14 -1.14 0.00 0.00 176.83 172.81 1htn n ARG 29 N -4.94 -0.37 -0.09 3.45 0.63 -0.87 -0.50 116.66 113.96 1htn n ARG 29 Ca -0.08 1.35 -0.07 0.00 -0.92 0.00 0.00 57.85 58.14 1htn n ARG 29 Cb 0.35 -1.99 -0.00 0.00 0.45 0.00 0.00 32.46 31.26 1htn n ARG 29 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1htn h LEU 30 N 0.00 -0.72 -0.34 6.15 5.85 -1.52 0.77 115.31 125.50 1htn h LEU 30 Ca 0.14 0.15 0.07 0.00 0.84 0.00 0.00 57.88 59.08 1htn h LEU 30 Cb 0.35 0.37 -0.07 0.00 0.37 0.00 0.00 40.66 41.67 1htn h LEU 30 CO -0.79 -0.25 -0.13 -0.78 -0.34 0.00 0.00 178.44 176.15 1htn h ASP 31 N -0.17 -0.44 -0.42 1.25 1.82 0.35 0.46 116.42 119.27 1htn h ASP 31 Ca 0.17 0.12 0.04 0.00 -0.39 0.00 0.00 57.03 56.98 1htn h ASP 31 Cb 0.44 0.26 -0.04 0.00 0.68 0.00 0.00 39.33 40.67 1htn h ASP 31 CO -0.45 -0.16 0.18 0.74 -1.61 0.00 0.00 179.24 177.94 1htn h THR 32 N -0.06 0.92 -0.29 2.25 2.02 0.55 -1.91 112.91 116.38 1htn h THR 32 Ca 0.17 -0.12 0.06 0.00 0.77 0.00 0.00 66.41 67.29 1htn h THR 32 Cb 0.32 0.52 -0.06 0.00 -1.74 0.00 0.00 68.15 67.18 1htn h THR 32 CO -0.38 0.07 -0.13 -0.07 0.37 0.00 0.00 175.52 175.38 1htn h LEU 33 N 0.36 -0.44 -1.99 2.58 3.38 0.13 0.22 115.31 119.56 1htn h LEU 33 Ca 0.19 0.11 0.14 0.00 0.09 0.00 0.00 57.88 58.41 1htn h LEU 33 Cb 0.14 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1htn h LEU 33 CO -0.17 -0.16 0.45 0.77 0.09 0.00 0.00 178.44 179.42 1htn h SER 34 N -0.08 0.00 0.15 -0.43 4.64 0.59 -1.18 113.55 117.24 1htn h SER 34 Ca 0.15 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.46 1htn h SER 34 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1htn h SER 34 CO -0.35 0.00 -0.07 -0.61 -0.87 0.00 0.00 176.83 174.93 1htn h GLN 35 N 0.00 -0.19 -0.21 4.77 4.15 -0.13 -2.62 115.11 120.88 1htn h GLN 35 Ca 0.22 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.68 1htn h GLN 35 Cb 1.12 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.83 1htn h GLN 35 CO -0.00 0.24 0.07 0.93 -1.93 0.00 0.00 178.83 178.14 1htn h GLU 36 N -0.73 0.16 -0.85 1.69 5.08 -0.90 -2.12 114.58 116.92 1htn h GLU 36 Ca -0.02 -0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.44 1htn h GLU 36 Cb 0.52 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.65 1htn h GLU 36 CO 0.03 0.11 0.47 0.28 -1.00 0.00 0.00 179.01 178.90 1htn h VAL 37 N 0.17 0.85 0.24 3.13 2.07 -1.42 0.19 116.25 121.47 1htn h VAL 37 Ca 0.09 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.36 1htn h VAL 37 Cb 0.06 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.85 1htn h VAL 37 CO -0.10 0.14 -0.26 0.00 0.02 0.00 0.00 177.57 177.36 1htn h ALA 38 N 1.50 -0.53 -0.68 1.67 0.00 -1.00 0.84 119.26 121.05 1htn h ALA 38 Ca 0.43 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.33 1htn h ALA 38 Cb 0.48 0.39 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 1htn h ALA 38 CO -0.29 -0.83 0.37 1.25 0.00 0.00 0.00 179.25 179.75 1htn h LEU 39 N -0.54 0.54 -1.53 0.00 5.85 -0.69 0.39 115.31 119.33 1htn h LEU 39 Ca -0.00 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1htn h LEU 39 Cb 0.51 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1htn h LEU 39 CO -0.08 0.34 0.11 -0.07 -0.34 0.00 0.00 178.44 178.40 1htn h LEU 40 N 0.67 0.38 -0.60 2.25 3.38 0.16 -1.44 115.31 120.11 1htn h LEU 40 Ca 0.31 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.16 1htn h LEU 40 Cb 0.23 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1htn h LEU 40 CO -0.20 0.36 0.03 0.11 0.09 0.00 0.00 178.44 178.82 1htn h LYS 41 N 0.42 1.04 0.00 1.13 1.57 0.14 -2.23 116.57 118.64 1htn h LYS 41 Ca 0.10 -0.32 -0.07 0.00 -1.87 0.00 0.00 60.65 58.50 1htn h LYS 41 Cb 0.11 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1htn h LYS 41 CO -0.01 1.01 -0.89 0.93 -0.57 0.00 0.00 179.45 179.92 1htn h GLU 42 N 0.94 0.00 0.00 3.15 4.39 -1.17 -2.53 114.58 119.36 1htn h GLU 42 Ca 0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.87 1htn h GLU 42 Cb 0.52 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1htn h GLU 42 CO 0.03 0.16 -0.02 1.96 -1.16 0.00 0.00 179.01 179.98 1htn h GLN 43 N 0.00 0.00 0.00 2.33 4.20 -1.29 -2.57 115.11 117.77 1htn h GLN 43 Ca -0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1htn h GLN 43 Cb 1.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.01 1htn h GLN 43 CO 0.02 0.00 -0.70 0.94 -0.67 0.00 0.00 178.83 178.43 1htn n GLN 44 N -2.84 0.15 0.23 1.46 7.27 -0.84 -3.17 117.38 119.64 1htn n GLN 44 Ca 0.04 0.02 -0.13 0.00 0.07 0.00 0.00 57.00 57.01 1htn n GLN 44 Cb 0.50 -1.57 -0.07 0.00 2.41 0.00 0.00 30.24 31.51 1htn n GLN 44 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1htn h ALA 45 N 2.75 -0.62 -0.53 1.69 0.00 -1.03 -2.55 119.26 118.97 1htn h ALA 45 Ca 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1htn h ALA 45 Cb 0.62 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1htn h ALA 45 CO 0.00 -0.66 0.35 1.25 0.00 0.00 0.00 179.25 180.19 1htn h LEU 46 N -1.01 0.58 -1.39 0.00 5.85 -1.66 -1.86 115.31 115.82 1htn h LEU 46 Ca -0.06 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.58 1htn h LEU 46 Cb 0.58 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1htn h LEU 46 CO 0.10 0.41 -0.28 1.56 -0.34 0.00 0.00 178.44 179.89 1htn h GLN 47 N 0.68 0.00 0.19 1.25 4.20 -1.50 -2.54 115.11 117.39 1htn h GLN 47 Ca 0.20 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.62 1htn h GLN 47 Cb -0.02 0.00 0.03 0.00 0.30 0.00 0.00 27.48 27.79 1htn h GLN 47 CO -0.05 0.28 -1.26 1.15 -0.67 0.00 0.00 178.83 178.28 1htn h THR 48 N 0.00 1.33 -0.80 -0.54 2.02 -0.91 -2.72 112.91 111.29 1htn h THR 48 Ca -0.00 -2.59 0.03 0.00 0.77 0.00 0.00 66.41 64.62 1htn h THR 48 Cb 0.61 2.98 -0.05 0.00 -1.74 0.00 0.00 68.15 69.95 1htn h THR 48 CO 0.04 0.77 0.51 0.58 0.37 0.00 0.00 175.52 177.79 1htn h VAL 49 N 0.06 1.11 0.00 3.16 2.07 -1.38 0.13 116.25 121.41 1htn h VAL 49 Ca -0.21 -0.34 -0.10 0.00 0.82 0.00 0.00 66.70 66.87 1htn h VAL 49 Cb 1.98 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1htn h VAL 49 CO 0.24 0.18 -0.48 0.00 0.02 0.00 0.00 177.57 177.52 1htn h LEU 51 N 0.00 0.18 0.14 0.00 5.85 -0.86 -3.22 115.31 117.40 1htn h LEU 51 Ca -0.00 -0.20 -0.34 0.00 0.84 0.00 0.00 57.88 58.18 1htn h LEU 51 Cb 0.96 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.93 1htn h LEU 51 CO 0.06 1.16 -1.72 0.11 -0.34 0.00 0.00 178.44 177.70 1htn h LYS 52 N 0.03 0.30 0.00 1.25 1.57 -0.81 -3.45 116.57 115.46 1htn h LYS 52 Ca -0.08 -0.51 0.00 0.00 -1.87 0.00 0.00 60.65 58.19 1htn h LYS 52 Cb 1.87 0.19 0.00 0.00 0.08 0.00 0.00 32.23 34.37 1htn h LYS 52 CO 0.16 1.18 0.00 0.41 -0.57 0.00 0.00 179.45 180.63 1htn n GLY 53 N 1.80 0.87 3.42 3.86 0.00 0.38 -5.00 105.19 110.52 1htn n GLY 53 Ca -0.23 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 1htn n GLY 53 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1htn s THR 54 N 0.11 0.01 -0.05 2.61 -1.32 -0.51 -4.96 115.64 111.53 1htn s THR 54 Ca 0.00 -0.10 0.03 0.00 -1.21 0.00 0.00 61.69 60.42 1htn s THR 54 Cb 0.00 -1.01 0.00 0.00 -1.51 0.00 0.00 72.50 69.98 1htn s THR 54 CO 0.00 -0.05 -0.14 -0.75 -2.21 0.00 0.00 174.62 171.46 1htn s LYS 55 N -3.17 1.62 0.48 7.08 2.20 -1.26 -0.29 119.74 126.40 1htn s LYS 55 Ca -0.02 -0.50 0.04 0.00 -0.36 0.00 0.00 55.97 55.14 1htn s LYS 55 Cb -0.00 -1.40 -0.03 0.00 -1.51 0.00 0.00 37.83 34.89 1htn s LYS 55 CO -0.08 0.16 0.11 0.14 -0.36 0.00 0.00 175.35 175.32 1htn s VAL 56 N 0.25 1.66 -0.26 4.02 -7.23 0.57 -5.00 120.40 114.40 1htn s VAL 56 Ca -0.07 -1.85 -0.39 0.00 -1.81 0.00 0.00 61.98 57.86 1htn s VAL 56 Cb -0.12 -2.50 -0.15 0.00 0.56 0.00 0.00 36.38 34.16 1htn s VAL 56 CO 0.02 0.00 1.77 1.57 -0.31 0.00 0.00 175.10 178.16 1htn n HIS 57 N -1.29 2.09 -1.29 2.82 -0.00 -1.26 -1.80 115.22 114.50 1htn n HIS 57 Ca -0.09 0.46 -0.12 0.00 0.46 0.00 0.00 57.72 58.43 1htn n HIS 57 Cb 0.66 -2.49 -0.05 0.00 -0.12 0.00 0.00 29.99 27.99 1htn n HIS 57 CO 0.00 0.00 0.00 -1.33 0.46 0.00 0.00 176.34 175.47 1htn n MET 58 N 5.61 -1.58 -3.66 1.57 2.81 -1.26 -4.92 117.12 115.69 1htn n MET 58 Ca 0.26 0.83 -0.12 0.00 -1.81 0.00 0.00 57.70 56.86 1htn n MET 58 Cb 0.15 -5.10 -0.08 0.00 -0.71 0.00 0.00 33.22 27.48 1htn n MET 58 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1htn s LYS 59 N -2.89 0.69 -0.08 0.03 2.20 -0.74 -2.21 119.74 116.74 1htn s LYS 59 Ca 0.00 0.94 0.04 0.00 -0.36 0.00 0.00 55.97 56.58 1htn s LYS 59 Cb 0.00 0.28 -0.01 0.00 -1.51 0.00 0.00 37.83 36.58 1htn s LYS 59 CO 0.00 -0.11 -0.19 0.00 -0.36 0.00 0.00 175.35 174.69 1htn s PHE 61 N -0.10 3.48 -0.26 0.00 0.08 0.60 -0.04 117.98 121.73 1htn s PHE 61 Ca -0.04 0.21 -0.02 0.00 0.12 0.00 0.00 56.93 57.20 1htn s PHE 61 Cb -0.14 -1.73 0.15 0.00 -0.57 0.00 0.00 43.02 40.73 1htn s PHE 61 CO 0.04 0.57 0.46 -1.17 -0.10 0.00 0.00 175.22 175.02 1htn s LEU 62 N -2.60 -0.89 0.39 -0.37 2.96 -0.22 -1.43 118.68 116.52 1htn s LEU 62 Ca 0.34 0.49 -0.21 0.00 -0.22 0.00 0.00 54.13 54.54 1htn s LEU 62 Cb -0.13 1.49 -0.10 0.00 0.50 0.00 0.00 46.19 47.95 1htn s LEU 62 CO 0.27 -0.28 0.91 0.00 -1.32 0.00 0.00 176.35 175.93 1htn s ALA 63 N 2.66 3.12 -0.07 5.97 0.00 -1.26 -0.34 121.76 131.84 1htn s ALA 63 Ca 0.15 0.35 0.01 0.00 0.00 0.00 0.00 51.96 52.46 1htn s ALA 63 Cb -0.15 -3.08 0.02 0.00 0.00 0.00 0.00 23.12 19.91 1htn s ALA 63 CO -0.17 0.18 -0.07 -0.06 0.00 0.00 0.00 175.76 175.63 1htn s PHE 64 N -2.05 1.15 -2.36 0.00 0.40 0.22 -4.93 117.98 110.41 1htn s PHE 64 Ca 0.58 -0.45 0.22 0.00 -0.60 0.00 0.00 56.93 56.68 1htn s PHE 64 Cb -0.11 -0.96 0.68 0.00 0.51 0.00 0.00 43.02 43.14 1htn s PHE 64 CO 0.15 -0.33 1.52 0.25 0.70 0.00 0.00 175.22 177.51 1htn n THR 65 N 4.40 0.24 -2.79 0.64 -2.24 -1.26 -1.94 114.28 111.33 1htn n THR 65 Ca -0.18 -0.42 -0.43 0.00 -2.27 0.00 0.00 64.05 60.75 1htn n THR 65 Cb 0.51 0.55 -0.04 0.00 -2.10 0.00 0.00 70.33 69.25 1htn n THR 65 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1htn s GLN 66 N -1.76 3.66 0.17 -0.78 0.74 -1.26 -4.81 119.66 115.62 1htn s GLN 66 Ca 0.34 0.34 -0.30 0.00 0.05 0.00 0.00 55.36 55.79 1htn s GLN 66 Cb 0.19 -3.88 -0.08 0.00 1.10 0.00 0.00 33.01 30.33 1htn s GLN 66 CO 0.28 -1.15 1.29 0.95 -0.55 0.00 0.00 175.29 176.11 1htn s THR 67 N 3.73 3.37 0.18 -0.34 -4.23 -1.26 -4.67 115.64 112.42 1htn s THR 67 Ca 0.39 1.09 -0.00 0.00 -1.18 0.00 0.00 61.69 61.98 1htn s THR 67 Cb -0.10 -3.70 -0.04 0.00 1.34 0.00 0.00 72.50 70.00 1htn s THR 67 CO 0.24 0.15 0.07 -0.54 -0.54 0.00 0.00 174.62 174.00 1htn s LYS 68 N 0.16 1.11 0.33 3.99 1.02 -0.18 -4.79 119.74 121.38 1htn s LYS 68 Ca 0.57 -1.56 -0.27 0.00 0.02 0.00 0.00 55.97 54.74 1htn s LYS 68 Cb -0.35 0.07 -0.09 0.00 -0.52 0.00 0.00 37.83 36.94 1htn s LYS 68 CO 0.36 -0.27 1.06 0.95 -0.92 0.00 0.00 175.35 176.53 1htn s THR 69 N -3.95 3.65 0.14 2.17 -4.23 -1.25 -3.07 115.64 109.09 1htn s THR 69 Ca 0.30 1.47 -0.09 0.00 -1.18 0.00 0.00 61.69 62.19 1htn s THR 69 Cb 0.07 -3.86 0.18 0.00 1.34 0.00 0.00 72.50 70.23 1htn s THR 69 CO 0.07 0.20 0.91 0.33 -0.54 0.00 0.00 174.62 175.59 1htn n PHE 70 N 0.62 0.07 -0.23 3.99 -0.00 -0.90 0.11 117.46 121.12 1htn n PHE 70 Ca 0.02 0.72 -0.08 0.00 -0.00 0.00 0.00 57.45 58.10 1htn n PHE 70 Cb 0.47 -0.75 0.03 0.00 -0.00 0.00 0.00 39.48 39.23 1htn n PHE 70 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1htn h HIS 71 N 0.00 1.11 -0.27 -5.13 -0.00 -1.92 -1.18 115.15 107.77 1htn h HIS 71 Ca 0.23 -0.15 -0.03 0.00 -0.00 0.00 0.00 60.37 60.41 1htn h HIS 71 Cb 0.37 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.46 1htn h HIS 71 CO -0.49 0.94 0.03 0.93 -0.00 0.00 0.00 177.93 179.34 1htn h GLU 72 N 0.97 0.45 -0.63 2.45 5.08 0.42 -1.10 114.58 122.22 1htn h GLU 72 Ca 0.20 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1htn h GLU 72 Cb 0.41 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1htn h GLU 72 CO 0.01 0.58 0.37 0.00 -1.00 0.00 0.00 179.01 178.97 1htn h ALA 73 N 0.85 1.48 0.02 3.43 0.00 -0.20 -2.05 119.26 122.79 1htn h ALA 73 Ca 0.08 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1htn h ALA 73 Cb 0.36 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1htn h ALA 73 CO 0.01 0.45 -0.01 1.03 0.00 0.00 0.00 179.25 180.73 1htn h SER 74 N 0.86 -0.02 -0.21 0.00 0.87 -1.07 -2.66 113.55 111.32 1htn h SER 74 Ca 0.23 -0.51 0.06 0.00 -1.23 0.00 0.00 61.79 60.34 1htn h SER 74 Cb -0.03 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 1htn h SER 74 CO -0.04 0.50 0.16 -0.33 -0.53 0.00 0.00 176.83 176.59 1htn h GLU 75 N -0.55 0.00 0.03 2.24 4.39 -1.06 -1.88 114.58 117.74 1htn h GLU 75 Ca -0.00 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.49 1htn h GLU 75 Cb 0.53 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1htn h GLU 75 CO 0.00 0.00 -0.96 0.22 -1.16 0.00 0.00 179.01 177.11 1htn h ASP 76 N 0.00 0.20 1.50 1.42 3.58 -1.27 -2.96 116.42 118.90 1htn h ASP 76 Ca 0.10 -0.19 -0.10 0.00 0.42 0.00 0.00 57.03 57.26 1htn h ASP 76 Cb 0.41 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 1htn h ASP 76 CO -0.00 1.05 -0.50 0.00 -2.88 0.00 0.00 179.24 176.91 1htn h ILE 78 N 0.00 1.34 0.00 0.00 2.04 -1.34 0.38 117.51 119.93 1htn h ILE 78 Ca -0.01 -2.19 0.00 0.00 1.00 0.00 0.00 64.86 63.67 1htn h ILE 78 Cb 1.37 2.19 0.00 0.00 -0.74 0.00 0.00 36.82 39.64 1htn h ILE 78 CO 0.06 0.67 0.00 -1.54 0.00 0.00 0.00 178.15 177.34 1htn n SER 79 N -3.84 0.00 -0.53 1.72 3.41 -1.12 -2.52 113.62 110.73 1htn n SER 79 Ca -0.07 0.48 0.12 0.00 -0.26 0.00 0.00 58.87 59.14 1htn n SER 79 Cb 0.77 -0.49 0.11 0.00 -0.26 0.00 0.00 64.21 64.34 1htn n SER 79 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1htn n ARG 80 N -1.49 1.36 -0.31 4.33 1.74 -1.17 -4.94 116.66 116.17 1htn n ARG 80 Ca 0.06 -1.07 0.00 0.00 -0.77 0.00 0.00 57.85 56.08 1htn n ARG 80 Cb 0.29 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 1htn n ARG 80 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1htn n GLY 81 N 1.38 0.97 0.00 -0.13 0.00 -1.05 -5.06 105.19 101.30 1htn n GLY 81 Ca 0.11 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1htn n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1htn n GLY 82 N -2.04 4.81 3.78 -0.02 0.00 0.13 -4.66 105.19 107.19 1htn n GLY 82 Ca 0.00 -1.00 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 1htn n GLY 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1htn s THR 83 N 0.09 0.00 0.16 2.61 -4.23 -0.95 -3.27 115.64 110.05 1htn s THR 83 Ca 0.00 -1.09 -0.31 0.00 -1.18 0.00 0.00 61.69 59.11 1htn s THR 83 Cb 0.00 -2.57 -0.09 0.00 1.34 0.00 0.00 72.50 71.19 1htn s THR 83 CO 0.00 0.00 1.38 -0.76 -0.54 0.00 0.00 174.62 174.70 1htn s LEU 84 N -3.04 4.39 -0.18 4.79 1.43 -1.26 -0.48 118.68 124.32 1htn s LEU 84 Ca 0.16 2.40 -0.37 0.00 -1.03 0.00 0.00 54.13 55.29 1htn s LEU 84 Cb -0.05 -3.60 -0.13 0.00 0.03 0.00 0.00 46.19 42.44 1htn s LEU 84 CO 0.11 -0.63 1.83 -1.54 0.23 0.00 0.00 176.35 176.35 1htn n SER 85 N 3.40 2.98 -3.69 2.29 3.41 -0.94 -4.12 113.62 116.94 1htn n SER 85 Ca 0.10 1.01 -0.30 0.00 -0.26 0.00 0.00 58.87 59.42 1htn n SER 85 Cb 0.42 -1.27 -0.14 0.00 -0.26 0.00 0.00 64.21 62.96 1htn n SER 85 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1htn s THR 86 N 3.93 0.81 0.11 6.66 2.01 -1.26 -2.49 115.64 125.42 1htn s THR 86 Ca 0.96 -1.55 -0.31 0.00 0.31 0.00 0.00 61.69 61.10 1htn s THR 86 Cb -0.86 -1.61 -0.10 0.00 0.01 0.00 0.00 72.50 69.94 1htn s THR 86 CO 0.58 -0.74 1.77 -2.16 -0.69 0.00 0.00 174.62 173.38 1htn s PRO 87 N 1.42 4.15 0.06 4.92 0.04 -1.26 -4.88 135.00 139.45 1htn s PRO 87 Ca 0.12 2.52 0.22 0.00 0.04 0.00 0.00 61.00 63.90 1htn s PRO 87 Cb -0.19 -3.56 -0.18 0.00 0.04 0.00 0.00 34.50 30.62 1htn s PRO 87 CO -0.20 -0.80 0.75 1.04 0.04 0.00 0.00 177.00 177.82 1htn n GLN 88 N 5.54 0.58 -4.18 4.56 6.02 -1.26 -4.77 117.38 123.88 1htn n GLN 88 Ca 0.17 -0.06 -0.11 0.00 -0.01 0.00 0.00 57.00 56.99 1htn n GLN 88 Cb 0.39 -1.64 -0.10 0.00 1.02 0.00 0.00 30.24 29.91 1htn n GLN 88 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1htn s THR 89 N -3.42 0.30 0.47 5.09 -4.23 -1.26 -4.40 115.64 108.19 1htn s THR 89 Ca -0.04 -1.93 0.29 0.00 -1.18 0.00 0.00 61.69 58.83 1htn s THR 89 Cb 0.12 -2.05 0.32 0.00 1.34 0.00 0.00 72.50 72.23 1htn s THR 89 CO 0.85 -0.49 2.14 1.23 -0.54 0.00 0.00 174.62 177.81 1htn h GLY 90 N 2.82 0.00 1.13 3.99 0.00 -1.99 -0.39 103.07 108.63 1htn h GLY 90 Ca -0.36 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.65 1htn h GLY 90 CO 0.61 0.00 -1.61 0.23 0.00 0.00 0.00 176.54 175.77 1htn h SER 91 N 0.00 0.53 -1.00 0.19 0.87 -1.98 -1.85 113.55 110.31 1htn h SER 91 Ca -0.00 -0.73 0.04 0.00 -1.23 0.00 0.00 61.79 59.87 1htn h SER 91 Cb 0.23 -0.17 -0.06 0.00 -0.44 0.00 0.00 62.40 61.95 1htn h SER 91 CO 0.01 1.61 0.65 -0.08 -0.53 0.00 0.00 176.83 178.49 1htn h GLU 92 N 0.09 1.21 -0.02 2.24 4.81 -1.83 0.44 114.58 121.52 1htn h GLU 92 Ca -0.28 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 58.87 1htn h GLU 92 Cb 2.07 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 31.17 1htn h GLU 92 CO 0.18 0.80 -0.01 -0.97 -0.73 0.00 0.00 179.01 178.28 1htn h ASN 93 N 1.25 0.04 -0.78 1.04 -0.00 -1.11 -1.01 115.58 115.00 1htn h ASN 93 Ca 0.41 -0.44 0.03 0.00 -0.00 0.00 0.00 56.30 56.30 1htn h ASN 93 Cb 0.05 -0.01 -0.04 0.00 -0.00 0.00 0.00 38.32 38.31 1htn h ASN 93 CO -0.14 0.47 0.51 0.44 -0.00 0.00 0.00 177.43 178.72 1htn h ASP 94 N -0.39 0.82 0.16 1.15 3.32 -0.73 0.22 116.42 120.97 1htn h ASP 94 Ca 0.00 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1htn h ASP 94 Cb 0.46 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1htn h ASP 94 CO 0.00 0.57 -0.08 0.00 -1.72 0.00 0.00 179.24 178.02 1htn h ALA 95 N 1.54 -0.21 -0.08 3.45 0.00 -0.04 -0.46 119.26 123.46 1htn h ALA 95 Ca 0.31 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1htn h ALA 95 Cb 0.04 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1htn h ALA 95 CO -0.09 -0.52 -0.02 1.25 0.00 0.00 0.00 179.25 179.87 1htn h LEU 96 N -0.41 0.10 -0.12 0.00 5.85 -0.67 -2.05 115.31 118.00 1htn h LEU 96 Ca -0.02 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 1htn h LEU 96 Cb 0.32 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 1htn h LEU 96 CO 0.04 0.14 -0.11 0.22 -0.34 0.00 0.00 178.44 178.39 1htn h TYR 97 N 0.11 0.35 0.00 1.25 3.20 -0.00 -0.51 116.97 121.37 1htn h TYR 97 Ca 0.03 -0.10 -0.07 0.00 3.14 0.00 0.00 58.73 61.73 1htn h TYR 97 Cb 0.12 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1htn h TYR 97 CO 0.00 0.69 -0.31 0.93 -1.64 0.00 0.00 178.16 177.83 1htn h GLU 98 N -0.09 0.00 0.01 1.82 4.39 -0.75 -1.68 114.58 118.28 1htn h GLU 98 Ca 0.02 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.53 1htn h GLU 98 Cb 0.63 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.29 1htn h GLU 98 CO 0.03 0.31 -0.76 -0.92 -1.16 0.00 0.00 179.01 176.51 1htn h TYR 99 N 0.00 0.75 -0.86 4.33 3.20 -1.31 -2.66 116.97 120.42 1htn h TYR 99 Ca -0.00 -0.41 0.09 0.00 3.14 0.00 0.00 58.73 61.55 1htn h TYR 99 Cb 0.57 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.69 1htn h TYR 99 CO 0.00 1.24 0.56 1.25 -1.64 0.00 0.00 178.16 179.57 1htn h LEU 100 N 0.04 0.77 -0.31 2.82 5.85 -0.84 -1.43 115.31 122.22 1htn h LEU 100 Ca -0.10 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 1htn h LEU 100 Cb 1.46 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 1htn h LEU 100 CO 0.15 0.46 0.11 0.03 -0.34 0.00 0.00 178.44 178.85 1htn h ARG 101 N 0.86 0.47 -0.60 1.25 2.47 -1.23 -1.72 114.38 115.88 1htn h ARG 101 Ca 0.40 -0.09 0.00 0.00 -1.26 0.00 0.00 59.98 59.02 1htn h ARG 101 Cb 0.39 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 1htn h ARG 101 CO -0.16 0.49 0.00 0.00 0.56 0.00 0.00 179.97 180.86 1htn n GLN 102 N -4.71 2.43 0.00 0.04 10.64 -0.93 -3.65 117.38 121.20 1htn n GLN 102 Ca -0.02 -2.22 0.00 0.00 -1.83 0.00 0.00 57.00 52.93 1htn n GLN 102 Cb 0.15 -1.49 0.00 0.00 -0.86 0.00 0.00 30.24 28.04 1htn n GLN 102 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1htn n SER 103 N 1.32 2.60 -0.09 2.61 3.41 -0.58 -4.94 113.62 117.94 1htn n SER 103 Ca 0.21 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.72 1htn n SER 103 Cb 0.53 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 1htn n SER 103 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1htn n VAL 104 N -2.19 1.50 0.00 -3.33 0.31 -0.84 -4.99 118.33 108.79 1htn n VAL 104 Ca 0.00 0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1htn n VAL 104 Cb 0.33 -2.34 0.00 0.00 -0.91 0.00 0.00 33.84 30.93 1htn n VAL 104 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1htn n GLY 105 N 1.45 2.30 0.29 2.92 0.00 -0.71 -4.92 105.19 106.52 1htn n GLY 105 Ca -0.15 -0.41 0.16 0.00 0.00 0.00 0.00 46.02 45.62 1htn n GLY 105 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1htn h ASN 106 N 0.00 0.00 0.00 1.61 -0.00 -1.81 -2.97 115.58 112.42 1htn h ASN 106 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 56.30 56.25 1htn h ASN 106 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.31 1htn h ASN 106 CO 0.00 0.06 -1.57 -0.62 -0.00 0.00 0.00 177.43 175.30 1htn n GLU 107 N -3.50 0.79 -1.17 6.67 -0.58 -1.26 -3.53 120.64 118.06 1htn n GLU 107 Ca -0.02 -0.08 -0.37 0.00 -0.42 0.00 0.00 57.16 56.27 1htn n GLU 107 Cb 0.19 -1.27 0.05 0.00 -0.57 0.00 0.00 31.44 29.84 1htn n GLU 107 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1htn n ALA 108 N -2.01 -2.80 -3.64 0.62 0.00 -1.12 -3.31 120.51 108.24 1htn n ALA 108 Ca -0.06 -0.31 -0.26 0.00 0.00 0.00 0.00 53.44 52.82 1htn n ALA 108 Cb 0.43 -1.59 -0.17 0.00 0.00 0.00 0.00 19.45 18.12 1htn n ALA 108 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1htn s GLU 109 N -2.22 1.69 0.22 0.00 2.02 -1.26 -0.43 118.70 118.72 1htn s GLU 109 Ca 0.57 -0.37 0.10 0.00 0.02 0.00 0.00 54.97 55.29 1htn s GLU 109 Cb -0.34 -1.51 -0.04 0.00 0.10 0.00 0.00 34.13 32.33 1htn s GLU 109 CO 0.66 -0.09 -0.12 0.96 0.02 0.00 0.00 175.26 176.69 1htn s ILE 110 N 1.06 2.95 0.80 -1.63 -5.25 -1.03 -3.94 121.20 114.16 1htn s ILE 110 Ca -0.07 -1.94 -0.10 0.00 -0.99 0.00 0.00 60.65 57.54 1htn s ILE 110 Cb -0.15 -2.50 0.07 0.00 2.95 0.00 0.00 42.46 42.83 1htn s ILE 110 CO -0.01 -0.24 1.10 0.26 -1.79 0.00 0.00 174.94 174.26 1htn s TRP 111 N -2.02 2.41 0.01 1.37 0.23 -1.11 -2.10 118.94 117.73 1htn s TRP 111 Ca 0.27 1.59 0.04 0.00 -2.03 0.00 0.00 56.10 55.97 1htn s TRP 111 Cb -0.07 -3.10 -0.02 0.00 0.03 0.00 0.00 33.47 30.31 1htn s TRP 111 CO 0.15 -1.98 -0.14 -0.51 0.96 0.00 0.00 176.95 175.44 1htn s LEU 112 N -6.05 2.10 0.00 2.99 1.43 -1.10 -4.68 118.68 113.38 1htn s LEU 112 Ca 0.62 -0.35 -0.03 0.00 -1.03 0.00 0.00 54.13 53.34 1htn s LEU 112 Cb -0.18 -0.64 -0.13 0.00 0.03 0.00 0.00 46.19 45.27 1htn s LEU 112 CO 0.56 0.10 2.30 0.61 0.23 0.00 0.00 176.35 180.15 1htn n GLY 113 N 2.32 2.26 3.23 -3.19 0.00 -1.04 -4.53 105.19 104.24 1htn n GLY 113 Ca -0.16 -0.59 -0.19 0.00 0.00 0.00 0.00 46.02 45.08 1htn n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1htn s LEU 114 N 0.00 2.35 0.13 0.99 1.43 -1.26 -3.18 118.68 119.14 1htn s LEU 114 Ca 0.32 -0.73 -0.26 0.00 -1.03 0.00 0.00 54.13 52.44 1htn s LEU 114 Cb 0.15 -0.62 0.07 0.00 0.03 0.00 0.00 46.19 45.82 1htn s LEU 114 CO 0.00 -0.08 0.97 0.54 0.23 0.00 0.00 176.35 178.01 1htn s ASN 115 N -2.14 -0.19 -0.15 2.29 4.22 -0.68 -2.84 114.94 115.44 1htn s ASN 115 Ca 0.05 -0.36 0.23 0.00 -2.14 0.00 0.00 52.86 50.65 1htn s ASN 115 Cb -0.07 0.46 0.46 0.00 1.28 0.00 0.00 41.25 43.37 1htn s ASN 115 CO 0.03 -0.85 1.15 -0.90 -2.04 0.00 0.00 177.10 174.50 1htn n ASP 116 N -0.45 1.11 -0.14 3.54 5.75 -1.15 -0.09 116.55 125.11 1htn n ASP 116 Ca -0.06 -2.02 -0.00 0.00 -0.01 0.00 0.00 54.79 52.69 1htn n ASP 116 Cb 0.61 -0.32 0.25 0.00 -1.03 0.00 0.00 41.12 40.62 1htn n ASP 116 CO 0.00 0.00 0.00 0.24 -0.11 0.00 0.00 177.20 177.33 1htn h MET 117 N 1.82 0.85 0.15 0.11 2.86 -1.83 -3.08 114.93 115.81 1htn h MET 117 Ca -0.21 -0.10 -0.23 0.00 -2.06 0.00 0.00 59.70 57.10 1htn h MET 117 Cb 1.52 -0.16 0.02 0.00 0.06 0.00 0.00 31.60 33.03 1htn h MET 117 CO 0.11 0.65 -1.06 0.00 1.06 0.00 0.00 176.91 177.67 1htn h ALA 118 N 1.48 -0.04 -3.28 6.32 0.00 -1.92 -3.43 119.26 118.40 1htn h ALA 118 Ca 0.21 -0.81 -0.60 0.00 0.00 0.00 0.00 54.91 53.71 1htn h ALA 118 Cb 0.07 0.20 -0.40 0.00 0.00 0.00 0.00 17.79 17.66 1htn h ALA 118 CO -0.03 0.53 -0.75 0.00 0.00 0.00 0.00 179.25 179.01 1htn s ALA 119 N -2.47 1.87 -0.11 0.00 0.00 -1.22 -5.10 121.76 114.74 1htn s ALA 119 Ca -0.14 -1.90 -0.37 0.00 0.00 0.00 0.00 51.96 49.55 1htn s ALA 119 Cb 0.02 -1.71 -0.14 0.00 0.00 0.00 0.00 23.12 21.29 1htn s ALA 119 CO 0.84 -1.68 1.72 -1.91 0.00 0.00 0.00 175.76 174.72 1htn n GLU 120 N 4.68 1.63 0.00 0.00 4.07 -1.17 -0.21 120.64 129.64 1htn n GLU 120 Ca -0.00 0.59 0.00 0.00 -0.06 0.00 0.00 57.16 57.69 1htn n GLU 120 Cb 0.42 -2.34 0.00 0.00 -0.06 0.00 0.00 31.44 29.46 1htn n GLU 120 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1htn n GLY 121 N 3.95 1.95 3.29 8.31 0.00 -1.26 -5.01 105.19 116.41 1htn n GLY 121 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 1htn n GLY 121 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1htn s THR 122 N -2.47 4.13 -0.04 2.61 2.01 0.71 -5.07 115.64 117.51 1htn s THR 122 Ca 0.00 -1.20 -0.17 0.00 0.31 0.00 0.00 61.69 60.63 1htn s THR 122 Cb 0.00 -3.42 -0.05 0.00 0.01 0.00 0.00 72.50 69.04 1htn s THR 122 CO 0.00 -0.34 0.45 0.26 -0.69 0.00 0.00 174.62 174.31 1htn s TRP 123 N 1.44 3.65 0.11 4.92 0.52 -1.26 -3.97 118.94 124.35 1htn s TRP 123 Ca 0.01 0.98 0.02 0.00 0.02 0.00 0.00 56.10 57.13 1htn s TRP 123 Cb -0.21 -2.42 -0.04 0.00 -1.15 0.00 0.00 33.47 29.64 1htn s TRP 123 CO 0.03 0.43 -0.06 0.14 0.02 0.00 0.00 176.95 177.51 1htn s VAL 124 N -0.35 0.73 0.00 4.03 -7.23 0.88 -2.42 120.40 116.03 1htn s VAL 124 Ca 0.25 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.47 1htn s VAL 124 Cb -0.16 -1.75 0.00 0.00 0.56 0.00 0.00 36.38 35.03 1htn s VAL 124 CO 0.13 -0.82 0.00 -0.90 -0.31 0.00 0.00 175.10 173.20 1htn n ASP 125 N -0.08 0.00 0.13 4.85 5.68 0.22 -1.69 116.55 125.66 1htn n ASP 125 Ca -0.11 -0.52 -0.01 0.00 -0.50 0.00 0.00 54.79 53.64 1htn n ASP 125 Cb 0.61 0.00 0.16 0.00 -1.14 0.00 0.00 41.12 40.75 1htn n ASP 125 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 1htn h MET 126 N 0.00 0.00 0.00 0.11 2.86 -1.87 -2.35 114.93 113.68 1htn h MET 126 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1htn h MET 126 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1htn h MET 126 CO 0.00 0.63 0.00 0.25 1.06 0.00 0.00 176.91 178.85 1htn n THR 127 N -3.76 0.00 -0.94 2.22 -2.24 -1.26 -4.83 114.28 103.46 1htn n THR 127 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1htn n THR 127 Cb 0.63 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 1htn n THR 127 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1htn n GLY 128 N 0.61 0.48 3.85 3.38 0.00 -0.88 -5.03 105.19 107.60 1htn n GLY 128 Ca 0.15 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 1htn n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1htn s ALA 129 N -2.00 3.68 0.07 4.61 0.00 -1.26 -4.76 121.76 122.11 1htn s ALA 129 Ca 0.00 -0.26 -0.31 0.00 0.00 0.00 0.00 51.96 51.40 1htn s ALA 129 Cb 0.00 -2.37 -0.09 0.00 0.00 0.00 0.00 23.12 20.66 1htn s ALA 129 CO 0.00 0.51 1.78 1.03 0.00 0.00 0.00 175.76 179.08 1htn s ARG 130 N -1.62 4.16 0.98 0.00 0.52 -1.26 0.69 118.95 122.42 1htn s ARG 130 Ca 0.31 2.47 -0.11 0.00 -0.52 0.00 0.00 55.73 57.88 1htn s ARG 130 Cb -0.15 -3.74 0.18 0.00 0.52 0.00 0.00 34.95 31.76 1htn s ARG 130 CO 0.17 -0.83 1.10 0.96 0.02 0.00 0.00 175.30 176.73 1htn s ILE 131 N 3.15 2.14 0.00 1.52 -4.36 -1.02 -4.84 121.20 117.79 1htn s ILE 131 Ca 0.79 0.05 0.00 0.00 -0.26 0.00 0.00 60.65 61.23 1htn s ILE 131 Cb -0.42 -2.12 0.00 0.00 1.25 0.00 0.00 42.46 41.17 1htn s ILE 131 CO 0.35 -0.06 0.00 0.00 0.24 0.00 0.00 174.94 175.47 1htn n ALA 132 N -4.40 2.23 -2.64 2.27 0.00 -1.26 -5.00 120.51 111.71 1htn n ALA 132 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.14 1htn n ALA 132 Cb 0.53 0.43 -0.05 0.00 0.00 0.00 0.00 19.45 20.35 1htn n ALA 132 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1htn s TYR 133 N -1.89 3.60 -0.00 0.00 5.04 -1.26 -5.05 117.35 117.79 1htn s TYR 133 Ca 0.00 1.13 0.03 0.00 -2.44 0.00 0.00 57.07 55.78 1htn s TYR 133 Cb 0.00 -2.66 -0.01 0.00 0.35 0.00 0.00 41.96 39.64 1htn s TYR 133 CO 0.00 0.21 -0.09 0.15 -1.34 0.00 0.00 175.55 174.48 1htn s LYS 134 N 0.39 0.69 -0.32 4.97 1.02 -1.26 -4.99 119.74 120.25 1htn s LYS 134 Ca 0.32 -0.35 0.16 0.00 0.02 0.00 0.00 55.97 56.11 1htn s LYS 134 Cb -0.17 -0.66 0.47 0.00 -0.52 0.00 0.00 37.83 36.94 1htn s LYS 134 CO 0.16 0.18 1.07 -1.71 -0.92 0.00 0.00 175.35 174.12 1htn n ASN 135 N 2.75 2.58 -4.72 2.83 5.15 -1.26 -5.08 115.26 117.51 1htn n ASN 135 Ca -0.14 -2.83 -0.42 0.00 -0.60 0.00 0.00 54.58 50.59 1htn n ASN 135 Cb 0.57 -0.47 -0.03 0.00 -0.53 0.00 0.00 39.78 39.32 1htn n ASN 135 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1htn s TRP 136 N -3.49 3.06 -0.19 1.20 0.23 -1.26 0.25 118.94 118.75 1htn s TRP 136 Ca 0.34 0.76 -0.29 0.00 -2.03 0.00 0.00 56.10 54.88 1htn s TRP 136 Cb 0.40 -3.88 -0.05 0.00 0.03 0.00 0.00 33.47 29.97 1htn s TRP 136 CO -0.03 -3.14 2.07 -2.00 0.96 0.00 0.00 176.95 174.81 1htn s GLU 137 N 0.74 3.39 -0.24 4.98 2.56 -0.48 -4.70 118.70 124.95 1htn s GLU 137 Ca 0.67 2.02 -0.06 0.00 0.00 0.00 0.00 54.97 57.60 1htn s GLU 137 Cb -0.43 -4.28 -0.17 0.00 2.00 0.00 0.00 34.13 31.25 1htn s GLU 137 CO 0.34 -1.80 -0.16 0.25 -0.56 0.00 0.00 175.26 173.33 1htn n THR 138 N 7.21 1.54 0.00 -1.70 -2.24 -1.26 0.17 114.28 118.00 1htn n THR 138 Ca 0.26 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1htn n THR 138 Cb 0.45 -1.66 0.00 0.00 -2.10 0.00 0.00 70.33 67.01 1htn n THR 138 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1htn n GLU 139 N -3.71 0.00 -0.20 -0.78 -0.58 -1.26 -1.66 120.64 112.44 1htn n GLU 139 Ca -0.46 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.38 1htn n GLU 139 Cb 0.94 -0.40 0.39 0.00 -0.57 0.00 0.00 31.44 31.79 1htn n GLU 139 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1htn h ILE 140 N 0.00 0.93 0.00 -3.67 2.04 -2.01 -3.37 117.51 111.43 1htn h ILE 140 Ca 0.00 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1htn h ILE 140 Cb 0.00 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.27 1htn h ILE 140 CO 0.00 0.12 0.00 0.35 0.00 0.00 0.00 178.15 178.62 1htn n THR 141 N -4.50 0.00 -2.95 -0.27 -2.24 -1.26 -5.09 114.28 97.97 1htn n THR 141 Ca 0.13 -0.16 -0.13 0.00 -2.27 0.00 0.00 64.05 61.63 1htn n THR 141 Cb 0.35 1.04 0.01 0.00 -2.10 0.00 0.00 70.33 69.63 1htn n THR 141 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1htn n ALA 142 N -0.29 -2.91 -2.22 6.98 0.00 -0.67 -4.89 120.51 116.52 1htn n ALA 142 Ca 0.00 1.05 -0.30 0.00 0.00 0.00 0.00 53.44 54.19 1htn n ALA 142 Cb 0.01 -3.54 -0.03 0.00 0.00 0.00 0.00 19.45 15.89 1htn n ALA 142 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1htn s GLN 143 N -2.57 3.74 0.18 0.00 -1.52 0.45 -4.10 119.66 115.84 1htn s GLN 143 Ca 0.27 0.40 -0.26 0.00 -1.95 0.00 0.00 55.36 53.82 1htn s GLN 143 Cb -0.06 -2.41 -0.08 0.00 -0.22 0.00 0.00 33.01 30.24 1htn s GLN 143 CO 0.79 -0.04 0.80 -1.25 -0.25 0.00 0.00 175.29 175.33 1htn s PRO 144 N -3.95 4.59 0.00 2.91 0.05 -1.26 -4.62 135.00 132.72 1htn s PRO 144 Ca 0.50 1.19 0.00 0.00 0.05 0.00 0.00 61.00 62.74 1htn s PRO 144 Cb -0.10 -3.24 0.00 0.00 0.05 0.00 0.00 34.50 31.21 1htn s PRO 144 CO 0.33 0.55 0.68 -0.40 0.05 0.00 0.00 177.00 178.22 1htn n ASP 145 N 1.52 1.06 -1.90 6.66 5.68 -1.26 -4.80 116.55 123.50 1htn n ASP 145 Ca -0.05 -1.46 -0.12 0.00 -0.50 0.00 0.00 54.79 52.66 1htn n ASP 145 Cb 0.49 0.00 0.24 0.00 -1.14 0.00 0.00 41.12 40.70 1htn n ASP 145 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1htn n GLY 146 N -0.23 4.20 5.65 6.12 0.00 -1.26 -5.04 105.19 114.64 1htn n GLY 146 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1htn n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1htn n GLY 147 N -0.71 1.83 0.11 -0.02 0.00 -1.26 -1.39 105.19 103.75 1htn n GLY 147 Ca 0.46 0.17 0.14 0.00 0.00 0.00 0.00 46.02 46.80 1htn n GLY 147 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1htn n LYS 148 N 11.31 0.68 -0.00 1.61 5.02 -1.26 -3.44 118.16 132.08 1htn n LYS 148 Ca 0.00 -0.22 -0.01 0.00 -2.02 0.00 0.00 58.31 56.06 1htn n LYS 148 Cb 0.00 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.40 1htn n LYS 148 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1htn n THR 149 N -0.96 1.09 -3.82 -0.18 -2.24 -0.74 -4.69 114.28 102.74 1htn n THR 149 Ca 0.15 -0.70 -0.35 0.00 -2.27 0.00 0.00 64.05 60.87 1htn n THR 149 Cb 0.27 -0.60 -0.12 0.00 -2.10 0.00 0.00 70.33 67.78 1htn n THR 149 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1htn s GLU 150 N -2.90 1.92 -0.08 -0.78 2.02 -0.48 -4.51 118.70 113.89 1htn s GLU 150 Ca -0.05 -1.82 0.12 0.00 0.02 0.00 0.00 54.97 53.24 1htn s GLU 150 Cb 0.09 -3.51 0.31 0.00 0.10 0.00 0.00 34.13 31.11 1htn s GLU 150 CO 0.83 -1.04 1.23 0.09 0.02 0.00 0.00 175.26 176.39 1htn n ASN 151 N 4.54 2.90 -4.01 -0.19 3.02 -1.12 -4.54 115.26 115.87 1htn n ASN 151 Ca -0.01 -2.54 -0.26 0.00 -0.03 0.00 0.00 54.58 51.74 1htn n ASN 151 Cb 0.41 -0.32 -0.17 0.00 -0.61 0.00 0.00 39.78 39.10 1htn n ASN 151 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1htn s ALA 153 N 0.99 2.70 0.04 0.00 0.00 -1.13 0.96 121.76 125.32 1htn s ALA 153 Ca -0.08 0.56 -0.09 0.00 0.00 0.00 0.00 51.96 52.35 1htn s ALA 153 Cb -0.15 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1htn s ALA 153 CO -0.00 -0.79 0.20 0.08 0.00 0.00 0.00 175.76 175.25 1htn s VAL 154 N -2.18 0.11 -0.17 0.00 1.01 0.43 -2.70 120.40 116.91 1htn s VAL 154 Ca 0.67 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.77 1htn s VAL 154 Cb -0.19 -0.91 0.01 0.00 0.00 0.00 0.00 36.38 35.29 1htn s VAL 154 CO 0.32 -0.49 -0.17 -0.22 0.00 0.00 0.00 175.10 174.54 1htn s LEU 155 N -2.08 2.34 -0.25 3.92 0.20 -0.89 -1.30 118.68 120.61 1htn s LEU 155 Ca -0.05 -0.54 -0.11 0.00 0.69 0.00 0.00 54.13 54.12 1htn s LEU 155 Cb -0.01 -1.53 -0.05 0.00 -0.43 0.00 0.00 46.19 44.17 1htn s LEU 155 CO -0.04 0.05 0.18 -0.55 -0.29 0.00 0.00 176.35 175.70 1htn s SER 156 N 1.02 6.12 0.37 3.68 0.15 -0.88 -2.47 113.70 121.69 1htn s SER 156 Ca -0.02 0.11 0.13 0.00 0.70 0.00 0.00 55.95 56.88 1htn s SER 156 Cb -0.15 -2.12 0.71 0.00 -1.71 0.00 0.00 66.02 62.75 1htn s SER 156 CO -0.04 0.03 1.81 1.23 1.20 0.00 0.00 173.24 177.47 1htn h GLY 157 N 7.71 0.00 1.39 9.45 0.00 -0.90 -2.20 103.07 118.52 1htn h GLY 157 Ca -0.37 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.82 1htn h GLY 157 CO 0.64 0.00 -0.37 0.00 0.00 0.00 0.00 176.54 176.80 1htn h ALA 158 N 1.62 0.79 -0.23 3.60 0.00 -1.59 -3.19 119.26 120.25 1htn h ALA 158 Ca -0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 1htn h ALA 158 Cb 0.69 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 1htn h ALA 158 CO 0.05 0.65 0.13 0.00 0.00 0.00 0.00 179.25 180.08 1htn n ALA 159 N -2.51 3.19 -2.30 0.00 0.00 -0.88 -4.82 120.51 113.18 1htn n ALA 159 Ca -0.02 -0.68 -0.20 0.00 0.00 0.00 0.00 53.44 52.55 1htn n ALA 159 Cb 0.51 -1.09 -0.02 0.00 0.00 0.00 0.00 19.45 18.85 1htn n ALA 159 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1htn n ASN 160 N 0.10 -5.62 0.00 0.00 3.02 -1.21 -2.51 115.26 109.04 1htn n ASN 160 Ca 0.13 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 1htn n ASN 160 Cb 0.72 -4.67 0.00 0.00 -0.61 0.00 0.00 39.78 35.22 1htn n ASN 160 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1htn n GLY 161 N -0.98 0.48 3.88 7.41 0.00 -0.90 -5.06 105.19 110.01 1htn n GLY 161 Ca -0.23 -0.93 -0.32 0.00 0.00 0.00 0.00 46.02 44.54 1htn n GLY 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1htn s LYS 162 N -2.13 3.78 0.56 1.61 -0.14 -1.04 -4.80 119.74 117.58 1htn s LYS 162 Ca 0.00 0.22 -0.06 0.00 -1.36 0.00 0.00 55.97 54.77 1htn s LYS 162 Cb 0.00 -2.73 -0.01 0.00 -1.68 0.00 0.00 37.83 33.41 1htn s LYS 162 CO 0.00 0.37 0.87 -1.58 -0.76 0.00 0.00 175.35 174.26 1htn s TRP 163 N -1.73 3.37 -0.13 3.18 0.51 0.69 -2.07 118.94 122.77 1htn s TRP 163 Ca 0.44 0.74 -0.10 0.00 -2.12 0.00 0.00 56.10 55.06 1htn s TRP 163 Cb -0.12 -2.61 0.04 0.00 -0.81 0.00 0.00 33.47 29.97 1htn s TRP 163 CO 0.21 -0.65 0.32 -0.06 -0.51 0.00 0.00 176.95 176.27 1htn s PHE 164 N -2.93 -0.39 0.05 -1.98 0.08 -0.42 -1.38 117.98 111.01 1htn s PHE 164 Ca 0.52 0.92 -0.24 0.00 0.12 0.00 0.00 56.93 58.25 1htn s PHE 164 Cb -0.10 0.13 -0.06 0.00 -0.57 0.00 0.00 43.02 42.42 1htn s PHE 164 CO 0.46 -0.20 0.73 0.16 -0.10 0.00 0.00 175.22 176.26 1htn s ASP 165 N 0.50 7.18 0.35 1.36 -4.77 -1.26 -0.43 116.67 119.60 1htn s ASP 165 Ca -0.03 1.40 0.06 0.00 -3.30 0.00 0.00 52.55 50.68 1htn s ASP 165 Cb -0.04 -2.45 -0.03 0.00 -1.09 0.00 0.00 42.92 39.31 1htn s ASP 165 CO -0.03 0.06 0.22 -0.75 0.70 0.00 0.00 175.17 175.37 1htn s LYS 166 N -0.24 1.79 -0.32 2.11 2.20 0.27 -4.82 119.74 120.72 1htn s LYS 166 Ca 0.36 -2.05 -0.27 0.00 -0.36 0.00 0.00 55.97 53.65 1htn s LYS 166 Cb -0.20 -0.00 0.01 0.00 -1.51 0.00 0.00 37.83 36.13 1htn s LYS 166 CO 0.22 -0.58 1.00 1.03 -0.36 0.00 0.00 175.35 176.66 1htn s ARG 167 N -3.58 4.02 0.60 4.03 0.52 -1.26 -1.91 118.95 121.36 1htn s ARG 167 Ca 0.35 0.91 0.28 0.00 -0.52 0.00 0.00 55.73 56.74 1htn s ARG 167 Cb 0.03 -3.74 1.29 0.00 0.52 0.00 0.00 34.95 33.04 1htn s ARG 167 CO 0.22 -0.86 1.69 0.00 0.02 0.00 0.00 175.30 176.37 1htn n ARG 169 N -3.50 0.88 -0.59 0.00 1.74 -1.26 -2.12 116.66 111.80 1htn n ARG 169 Ca 0.13 -0.42 -0.24 0.00 -0.77 0.00 0.00 57.85 56.55 1htn n ARG 169 Cb 0.97 -1.49 0.21 0.00 -1.02 0.00 0.00 32.46 31.13 1htn n ARG 169 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1htn n ASP 170 N -0.69 -2.59 -3.81 0.55 8.00 0.21 -4.83 116.55 113.38 1htn n ASP 170 Ca 0.14 -0.91 -0.27 0.00 0.71 0.00 0.00 54.79 54.46 1htn n ASP 170 Cb 0.31 -0.80 -0.17 0.00 -0.02 0.00 0.00 41.12 40.44 1htn n ASP 170 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1htn s GLN 171 N -4.88 1.00 0.24 -1.24 -0.21 -1.26 -3.93 119.66 109.38 1htn s GLN 171 Ca 0.56 -0.43 0.03 0.00 0.02 0.00 0.00 55.36 55.54 1htn s GLN 171 Cb -0.07 -1.96 -0.05 0.00 1.00 0.00 0.00 33.01 31.93 1htn s GLN 171 CO 0.44 -0.52 0.02 -0.51 -2.12 0.00 0.00 175.29 172.60 1htn s LEU 172 N 1.75 2.11 0.00 2.90 1.43 -1.18 -4.81 118.68 120.88 1htn s LEU 172 Ca -0.00 -1.25 -0.04 0.00 -1.03 0.00 0.00 54.13 51.81 1htn s LEU 172 Cb -0.16 -0.22 0.05 0.00 0.03 0.00 0.00 46.19 45.90 1htn s LEU 172 CO -0.07 -0.56 0.33 -0.81 0.23 0.00 0.00 176.35 175.47 1htn n PRO 173 N -0.43 -0.26 -3.56 1.29 -0.04 -1.25 -1.02 135.00 129.73 1htn n PRO 173 Ca -0.04 -0.53 -0.11 0.00 -0.04 0.00 0.00 63.50 62.78 1htn n PRO 173 Cb 0.64 -0.33 -0.03 0.00 -0.04 0.00 0.00 33.50 33.75 1htn n PRO 173 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1htn s TYR 174 N -1.63 -0.37 -0.10 0.54 1.13 -0.82 -2.75 117.35 113.35 1htn s TYR 174 Ca 0.19 0.09 0.03 0.00 -1.41 0.00 0.00 57.07 55.97 1htn s TYR 174 Cb -0.01 0.50 0.01 0.00 -1.10 0.00 0.00 41.96 41.36 1htn s TYR 174 CO 0.13 -0.88 -0.18 0.42 -2.51 0.00 0.00 175.55 172.53 1htn s ILE 175 N -3.80 1.65 0.17 -3.49 1.01 -1.26 0.71 121.20 116.19 1htn s ILE 175 Ca 0.04 -0.76 -0.04 0.00 0.00 0.00 0.00 60.65 59.89 1htn s ILE 175 Cb -0.01 -1.47 -0.05 0.00 0.01 0.00 0.00 42.46 40.94 1htn s ILE 175 CO -0.09 0.47 0.40 0.00 0.00 0.00 0.00 174.94 175.72 1htn s GLN 177 N -2.93 2.75 -0.07 0.00 -2.07 0.37 -1.05 119.66 116.66 1htn s GLN 177 Ca 0.41 -0.71 0.04 0.00 -1.82 0.00 0.00 55.36 53.28 1htn s GLN 177 Cb -0.12 -2.43 -0.00 0.00 -1.09 0.00 0.00 33.01 29.37 1htn s GLN 177 CO 0.26 0.49 -0.21 -0.06 -1.32 0.00 0.00 175.29 174.45 1htn s PHE 178 N -0.39 2.21 0.36 9.60 0.40 0.94 -2.23 117.98 128.86 1htn s PHE 178 Ca 0.04 -0.79 -0.25 0.00 -0.60 0.00 0.00 56.93 55.33 1htn s PHE 178 Cb -0.12 -1.49 -0.09 0.00 0.51 0.00 0.00 43.02 41.83 1htn s PHE 178 CO 0.02 -0.30 1.02 0.20 0.70 0.00 0.00 175.22 176.86 1htn s GLY 179 N 0.20 2.80 -0.27 4.36 0.00 -1.26 -0.57 107.32 112.59 1htn s GLY 179 Ca -0.12 0.67 -0.20 0.00 0.00 0.00 0.00 44.72 45.07 1htn s GLY 179 CO 0.06 1.13 0.61 -0.42 0.00 0.00 0.00 173.10 174.47 1htn s ILE 180 N -1.58 4.99 0.00 0.90 1.01 -0.94 -4.89 121.20 120.69 1htn s ILE 180 Ca 0.53 1.01 0.00 0.00 0.00 0.00 0.00 60.65 62.20 1htn s ILE 180 Cb -0.22 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 38.32 1htn s ILE 180 CO 0.28 -0.00 0.24 1.33 0.00 0.00 0.00 174.94 176.79