#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mp1 n HIS 25 N 0.00 -1.82 -0.97 1.43 -0.00 -1.26 -4.69 115.22 107.91 1mp1 n HIS 25 Ca 0.00 0.23 -0.35 0.00 -0.00 0.00 0.00 57.72 57.61 1mp1 n HIS 25 Cb 0.00 -0.34 0.04 0.00 -0.00 0.00 0.00 29.99 29.69 1mp1 n HIS 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1mp1 n MET 26 N -1.28 0.00 -4.03 -0.41 -0.00 -1.26 -5.00 117.12 105.14 1mp1 n MET 26 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.70 57.59 1mp1 n MET 26 Cb 0.09 -0.97 -0.11 0.00 -0.00 0.00 0.00 33.22 32.22 1mp1 n MET 26 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1mp1 s GLN 27 N -1.93 0.42 0.02 3.17 -0.21 -1.26 -4.71 119.66 115.16 1mp1 s GLN 27 Ca 0.39 -0.66 -0.02 0.00 0.02 0.00 0.00 55.36 55.09 1mp1 s GLN 27 Cb -0.18 -0.13 0.01 0.00 1.00 0.00 0.00 33.01 33.71 1mp1 s GLN 27 CO 0.80 0.01 0.10 1.47 -2.12 0.00 0.00 175.29 175.55 1mp1 n LEU 28 N 1.61 0.00 -4.86 2.90 -0.00 -1.26 -5.12 117.00 110.27 1mp1 n LEU 28 Ca -0.23 -0.18 -0.34 0.00 -0.00 0.00 0.00 56.01 55.27 1mp1 n LEU 28 Cb 0.55 0.31 -0.06 0.00 -0.00 0.00 0.00 43.42 44.23 1mp1 n LEU 28 CO 0.21 -0.06 0.20 -0.75 -0.00 0.00 0.00 177.39 176.99 1mp1 s LYS 29 N -2.01 3.89 0.23 1.47 2.20 -1.26 -4.93 119.74 119.34 1mp1 s LYS 29 Ca 0.02 0.37 0.00 0.00 -0.36 0.00 0.00 55.97 56.01 1mp1 s LYS 29 Cb -0.00 -2.86 0.00 0.00 -1.51 0.00 0.00 37.83 33.46 1mp1 s LYS 29 CO 0.01 0.44 0.04 1.97 -0.36 0.00 0.00 175.35 177.45 1mp1 n PHE 30 N 0.54 0.22 -0.63 4.03 1.16 -1.26 -4.94 117.46 116.58 1mp1 n PHE 30 Ca -0.04 -1.11 0.00 0.00 -1.87 0.00 0.00 57.45 54.43 1mp1 n PHE 30 Cb 0.52 -0.16 0.00 0.00 -1.61 0.00 0.00 39.48 38.23 1mp1 n PHE 30 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1mp1 n ALA 31 N -2.31 0.00 -0.05 1.98 0.00 -1.26 -5.04 120.51 113.83 1mp1 n ALA 31 Ca -0.09 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.29 1mp1 n ALA 31 Cb 0.29 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.68 1mp1 n ALA 31 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1mp1 n GLU 32 N -0.76 1.44 0.26 0.00 0.28 -1.26 -4.43 120.64 116.17 1mp1 n GLU 32 Ca 0.00 0.03 0.17 0.00 -0.16 0.00 0.00 57.16 57.20 1mp1 n GLU 32 Cb 0.00 -1.22 0.91 0.00 1.43 0.00 0.00 31.44 32.56 1mp1 n GLU 32 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1mp1 n LEU 34 N -2.71 0.22 -1.84 0.00 4.77 -1.26 -1.42 117.00 114.76 1mp1 n LEU 34 Ca -0.02 0.57 -0.11 0.00 -0.03 0.00 0.00 56.01 56.42 1mp1 n LEU 34 Cb 0.07 -0.56 0.19 0.00 -2.33 0.00 0.00 43.42 40.79 1mp1 n LEU 34 CO 0.16 -0.49 1.00 -0.62 -1.33 0.00 0.00 177.39 176.11 1mp1 n GLU 35 N -1.77 2.56 0.00 3.23 1.02 0.85 -3.91 120.64 122.62 1mp1 n GLU 35 Ca 0.02 -2.34 0.11 0.00 -0.02 0.00 0.00 57.16 54.92 1mp1 n GLU 35 Cb 0.12 -1.96 0.03 0.00 -0.02 0.00 0.00 31.44 29.61 1mp1 n GLU 35 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1mp1 n LYS 36 N -0.40 0.57 -1.10 3.49 4.76 -0.50 -5.07 118.16 119.91 1mp1 n LYS 36 Ca 0.39 -0.45 0.13 0.00 -2.87 0.00 0.00 58.31 55.52 1mp1 n LYS 36 Cb 1.28 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 32.94 1mp1 n LYS 36 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1mp1 n LYS 37 N -0.83 -2.13 -0.35 1.97 4.01 -1.25 -5.04 118.16 114.54 1mp1 n LYS 37 Ca 0.07 1.50 0.00 0.00 -0.51 0.00 0.00 58.31 59.38 1mp1 n LYS 37 Cb 0.39 -2.65 0.00 0.00 -0.51 0.00 0.00 35.03 32.26 1mp1 n LYS 37 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 1mp1 n VAL 38 N -3.38 0.00 -3.02 -0.18 0.24 -1.26 -4.85 118.33 105.88 1mp1 n VAL 38 Ca -0.01 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.32 1mp1 n VAL 38 Cb 0.62 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.99 1mp1 n VAL 38 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1mp1 s ASP 39 N 0.98 -0.84 0.58 -1.34 -1.08 -1.26 -4.87 116.67 108.83 1mp1 s ASP 39 Ca 0.00 -0.24 0.30 0.00 -0.52 0.00 0.00 52.55 52.09 1mp1 s ASP 39 Cb 0.00 1.22 1.77 0.00 -1.46 0.00 0.00 42.92 44.45 1mp1 s ASP 39 CO 0.00 -0.11 2.22 0.24 0.52 0.00 0.00 175.17 178.03 1mp1 h MET 40 N 6.56 0.00 0.00 4.34 2.86 -1.69 0.29 114.93 127.29 1mp1 h MET 40 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1mp1 h MET 40 Cb 1.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.86 1mp1 h MET 40 CO -0.00 0.03 0.00 0.45 1.06 0.00 0.00 176.91 178.45 1mp1 n SER 41 N -3.74 0.00 -0.02 1.22 2.88 -1.26 -3.16 113.62 109.54 1mp1 n SER 41 Ca -0.03 0.14 -0.02 0.00 -1.33 0.00 0.00 58.87 57.63 1mp1 n SER 41 Cb 0.12 -0.34 -0.02 0.00 -0.75 0.00 0.00 64.21 63.22 1mp1 n SER 41 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1mp1 n LYS 42 N -1.34 0.70 -4.12 -1.46 4.76 0.58 -5.04 118.16 112.23 1mp1 n LYS 42 Ca 0.08 0.02 -0.28 0.00 -2.87 0.00 0.00 58.31 55.26 1mp1 n LYS 42 Cb 0.17 -1.07 -0.07 0.00 -1.84 0.00 0.00 35.03 32.23 1mp1 n LYS 42 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1mp1 s VAL 43 N -2.06 4.18 -0.22 -0.18 0.11 0.70 -4.00 120.40 118.92 1mp1 s VAL 43 Ca -0.04 -1.11 -0.18 0.00 -2.93 0.00 0.00 61.98 57.72 1mp1 s VAL 43 Cb 0.01 -3.08 -0.03 0.00 -1.53 0.00 0.00 36.38 31.75 1mp1 s VAL 43 CO 0.08 -0.03 0.51 0.20 -3.33 0.00 0.00 175.10 172.53 1mp1 s ASN 44 N -2.79 6.51 0.16 3.54 0.01 0.17 -4.36 114.94 118.18 1mp1 s ASN 44 Ca 0.29 0.61 0.19 0.00 -0.71 0.00 0.00 52.86 53.24 1mp1 s ASN 44 Cb -0.10 -2.28 -0.03 0.00 0.41 0.00 0.00 41.25 39.24 1mp1 s ASN 44 CO 0.21 -0.21 1.02 0.17 -1.51 0.00 0.00 177.10 176.78 1mp1 h LEU 45 N 8.20 0.00 -1.12 0.60 -0.00 -1.85 -3.33 115.31 117.81 1mp1 h LEU 45 Ca -0.32 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.57 1mp1 h LEU 45 Cb 1.15 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.76 1mp1 h LEU 45 CO 0.73 0.31 0.59 -0.33 -0.00 0.00 0.00 178.44 179.75 1mp1 h GLU 46 N 0.00 1.17 0.00 0.17 5.08 -1.93 0.31 114.58 119.38 1mp1 h GLU 46 Ca -0.07 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1mp1 h GLU 46 Cb 1.30 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1mp1 h GLU 46 CO 0.03 0.77 0.00 1.33 -1.00 0.00 0.00 179.01 180.14 1mp1 n VAL 47 N -4.40 0.65 0.44 3.13 0.24 -1.25 -0.89 118.33 116.24 1mp1 n VAL 47 Ca 0.11 0.16 0.06 0.00 -2.04 0.00 0.00 64.34 62.62 1mp1 n VAL 47 Cb 0.03 -0.91 0.05 0.00 -1.47 0.00 0.00 33.84 31.54 1mp1 n VAL 47 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1mp1 n ILE 48 N -1.32 0.03 -0.10 1.34 2.08 0.98 -4.42 119.36 117.95 1mp1 n ILE 48 Ca 0.07 -0.52 -0.11 0.00 0.56 0.00 0.00 62.75 62.75 1mp1 n ILE 48 Cb 0.13 1.21 -0.03 0.00 -0.75 0.00 0.00 39.64 40.19 1mp1 n ILE 48 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 1mp1 h LYS 49 N 2.18 0.51 0.00 0.38 1.79 0.13 0.51 116.57 122.08 1mp1 h LYS 49 Ca 0.00 -0.16 -0.14 0.00 -2.18 0.00 0.00 60.65 58.17 1mp1 h LYS 49 Cb 0.47 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.06 1mp1 h LYS 49 CO 0.00 0.66 -0.65 -1.00 -1.08 0.00 0.00 179.45 177.38 1mp1 h PRO 50 N 0.31 0.00 -0.05 3.15 0.13 -1.79 0.52 132.00 134.27 1mp1 h PRO 50 Ca 0.08 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.16 1mp1 h PRO 50 Cb 0.42 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.55 1mp1 h PRO 50 CO 0.01 0.65 -0.18 2.35 -0.23 0.00 0.00 178.00 180.60 1mp1 h TRP 51 N 0.00 0.27 0.09 1.56 7.01 -1.73 0.15 115.95 123.30 1mp1 h TRP 51 Ca -0.01 -0.12 -0.00 0.00 2.11 0.00 0.00 58.89 60.87 1mp1 h TRP 51 Cb 1.25 -0.04 0.00 0.00 -2.10 0.00 0.00 29.16 28.26 1mp1 h TRP 51 CO 0.00 0.81 -0.04 0.82 -2.79 0.00 0.00 178.44 177.24 1mp1 h ILE 52 N -0.35 1.05 -0.94 2.65 2.04 0.02 0.77 117.51 122.76 1mp1 h ILE 52 Ca -0.01 -0.48 0.03 0.00 1.00 0.00 0.00 64.86 65.39 1mp1 h ILE 52 Cb 0.83 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 38.22 1mp1 h ILE 52 CO 0.04 0.12 0.62 0.74 0.00 0.00 0.00 178.15 179.67 1mp1 h THR 53 N -0.34 1.19 -0.12 -0.27 2.02 -0.96 1.31 112.91 115.75 1mp1 h THR 53 Ca -0.01 -0.42 -0.16 0.00 0.77 0.00 0.00 66.41 66.59 1mp1 h THR 53 Cb 0.28 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.56 1mp1 h THR 53 CO 0.02 0.22 -0.62 0.50 0.37 0.00 0.00 175.52 176.01 1mp1 h LYS 54 N 1.21 0.42 0.01 6.66 3.64 -0.46 0.81 116.57 128.86 1mp1 h LYS 54 Ca 0.36 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1mp1 h LYS 54 Cb -0.04 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1mp1 h LYS 54 CO -0.10 0.91 -0.01 0.00 -2.27 0.00 0.00 179.45 177.98 1mp1 h ARG 55 N 0.31 -0.02 -0.24 1.90 2.47 0.18 -0.21 114.38 118.77 1mp1 h ARG 55 Ca -0.01 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1mp1 h ARG 55 Cb 1.17 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.48 1mp1 h ARG 55 CO 0.11 0.61 0.14 -0.39 0.56 0.00 0.00 179.97 180.99 1mp1 h VAL 56 N -0.66 1.10 -0.82 2.04 -1.51 0.16 1.06 116.25 117.62 1mp1 h VAL 56 Ca -0.00 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 65.23 1mp1 h VAL 56 Cb 0.63 0.83 -0.04 0.00 -2.13 0.00 0.00 31.29 30.58 1mp1 h VAL 56 CO 0.00 0.09 0.52 0.74 -1.23 0.00 0.00 177.57 177.70 1mp1 h THR 57 N 0.29 1.22 0.00 7.19 2.02 -0.90 -1.67 112.91 121.06 1mp1 h THR 57 Ca 0.08 -0.43 -0.13 0.00 0.77 0.00 0.00 66.41 66.70 1mp1 h THR 57 Cb 0.03 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.46 1mp1 h THR 57 CO -0.02 0.22 -0.63 -0.33 0.37 0.00 0.00 175.52 175.13 1mp1 h GLU 58 N 1.12 0.00 -0.32 6.66 5.08 -0.56 3.35 114.58 129.92 1mp1 h GLU 58 Ca 0.30 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.69 1mp1 h GLU 58 Cb -0.09 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 1mp1 h GLU 58 CO -0.06 0.63 0.11 0.82 -1.00 0.00 0.00 179.01 179.51 1mp1 h ILE 59 N 0.00 0.91 0.00 3.13 2.04 0.21 -3.30 117.51 120.50 1mp1 h ILE 59 Ca -0.01 -0.09 -0.44 0.00 1.00 0.00 0.00 64.86 65.33 1mp1 h ILE 59 Cb 1.16 0.64 -0.07 0.00 -0.74 0.00 0.00 36.82 37.82 1mp1 h ILE 59 CO 0.08 0.05 -2.49 0.00 0.00 0.00 0.00 178.15 175.79 1mp1 n LEU 60 N -5.02 2.28 0.00 1.44 -0.00 -0.96 -5.00 117.00 109.74 1mp1 n LEU 60 Ca 0.00 0.19 0.00 0.00 -0.00 0.00 0.00 56.01 56.20 1mp1 n LEU 60 Cb 0.11 -0.86 0.00 0.00 -0.00 0.00 0.00 43.42 42.68 1mp1 n LEU 60 CO 0.28 0.69 0.00 0.61 -0.00 0.00 0.00 177.39 178.97 1mp1 n GLY 61 N 1.58 1.05 3.26 1.47 0.00 1.11 -5.09 105.19 108.56 1mp1 n GLY 61 Ca -0.51 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.34 1mp1 n GLY 61 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1mp1 s PHE 62 N -1.47 1.40 -0.31 1.61 -0.12 -0.65 -4.84 117.98 113.59 1mp1 s PHE 62 Ca 0.00 -0.61 -0.29 0.00 -0.05 0.00 0.00 56.93 55.99 1mp1 s PHE 62 Cb 0.00 -0.71 -0.02 0.00 -0.63 0.00 0.00 43.02 41.66 1mp1 s PHE 62 CO 0.00 0.16 1.68 -2.00 -0.05 0.00 0.00 175.22 175.01 1mp1 s GLU 63 N -3.06 3.50 0.00 1.99 2.12 -1.26 -4.09 118.70 117.89 1mp1 s GLU 63 Ca 0.13 1.41 0.00 0.00 0.36 0.00 0.00 54.97 56.86 1mp1 s GLU 63 Cb -0.03 -4.13 0.00 0.00 0.26 0.00 0.00 34.13 30.24 1mp1 s GLU 63 CO 0.03 -1.66 0.00 -0.25 -0.54 0.00 0.00 175.26 172.84 1mp1 n ASP 64 N 9.54 -0.17 0.08 -1.70 8.00 -1.26 -5.04 116.55 125.99 1mp1 n ASP 64 Ca 0.21 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.83 1mp1 n ASP 64 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 1mp1 n ASP 64 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1mp1 n ASP 65 N -2.89 -1.17 -0.25 -2.24 8.00 -1.26 -4.76 116.55 111.99 1mp1 n ASP 65 Ca 0.00 0.29 -0.07 0.00 0.71 0.00 0.00 54.79 55.72 1mp1 n ASP 65 Cb 0.00 1.35 0.04 0.00 -0.02 0.00 0.00 41.12 42.49 1mp1 n ASP 65 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 1mp1 h VAL 66 N 0.00 1.25 -0.16 2.53 3.04 -1.98 0.88 116.25 121.81 1mp1 h VAL 66 Ca 0.00 -0.80 -0.18 0.00 -1.01 0.00 0.00 66.70 64.70 1mp1 h VAL 66 Cb 0.00 0.49 0.01 0.00 -2.01 0.00 0.00 31.29 29.78 1mp1 h VAL 66 CO 0.00 0.32 -0.62 -0.37 -1.01 0.00 0.00 177.57 175.88 1mp1 h VAL 67 N 0.98 1.31 -0.19 1.51 -1.51 -1.91 -1.55 116.25 114.88 1mp1 h VAL 67 Ca 0.22 -1.86 -0.01 0.00 -1.23 0.00 0.00 66.70 63.82 1mp1 h VAL 67 Cb 0.24 2.00 -0.01 0.00 -2.13 0.00 0.00 31.29 31.39 1mp1 h VAL 67 CO -0.01 0.58 0.07 0.40 -1.23 0.00 0.00 177.57 177.38 1mp1 h ILE 68 N 0.39 1.16 -0.89 7.19 2.04 -1.79 -2.00 117.51 123.62 1mp1 h ILE 68 Ca -0.03 -0.50 0.02 0.00 1.00 0.00 0.00 64.86 65.35 1mp1 h ILE 68 Cb 1.25 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 38.42 1mp1 h ILE 68 CO 0.13 0.16 0.58 -0.33 0.00 0.00 0.00 178.15 178.69 1mp1 h GLU 69 N 0.15 1.12 -0.45 2.37 5.08 0.77 0.49 114.58 124.12 1mp1 h GLU 69 Ca 0.06 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 1mp1 h GLU 69 Cb 0.18 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 1mp1 h GLU 69 CO -0.00 0.74 0.20 0.74 -1.00 0.00 0.00 179.01 179.69 1mp1 h PHE 70 N 1.16 0.36 -0.11 4.33 0.04 -0.94 2.07 116.94 123.86 1mp1 h PHE 70 Ca 0.34 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 61.06 1mp1 h PHE 70 Cb -0.05 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.00 1mp1 h PHE 70 CO -0.01 0.16 -0.21 0.82 -0.60 0.00 0.00 178.31 178.47 1mp1 h ILE 71 N 0.40 1.39 -0.04 -0.55 2.04 -0.79 0.28 117.51 120.23 1mp1 h ILE 71 Ca 0.20 -1.49 -0.00 0.00 1.00 0.00 0.00 64.86 64.57 1mp1 h ILE 71 Cb 0.15 2.10 -0.00 0.00 -0.74 0.00 0.00 36.82 38.32 1mp1 h ILE 71 CO -0.17 0.43 0.02 -0.26 0.00 0.00 0.00 178.15 178.18 1mp1 h PHE 72 N -0.11 0.06 -0.77 1.37 -1.00 0.32 1.75 116.94 118.56 1mp1 h PHE 72 Ca 0.00 -0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.76 1mp1 h PHE 72 Cb 0.79 -0.02 -0.04 0.00 3.61 0.00 0.00 35.95 40.30 1mp1 h PHE 72 CO 0.11 0.11 0.38 -0.91 -1.61 0.00 0.00 178.31 176.39 1mp1 h ASN 73 N -0.01 1.00 -0.28 2.17 2.35 0.33 0.73 115.58 121.86 1mp1 h ASN 73 Ca 0.02 -0.13 -0.18 0.00 -0.55 0.00 0.00 56.30 55.46 1mp1 h ASN 73 Cb 0.07 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 1mp1 h ASN 73 CO -0.00 0.84 -0.52 1.56 -1.65 0.00 0.00 177.43 177.67 1mp1 h GLN 74 N 1.08 0.87 0.00 0.81 7.50 -0.61 -2.53 115.11 122.22 1mp1 h GLN 74 Ca 0.26 -0.53 0.00 0.00 0.50 0.00 0.00 58.65 58.88 1mp1 h GLN 74 Cb 0.11 0.05 0.00 0.00 0.05 0.00 0.00 27.48 27.69 1mp1 h GLN 74 CO -0.03 1.17 0.00 1.28 -1.50 0.00 0.00 178.83 179.74 1mp1 n LEU 75 N -4.01 0.00 -0.04 1.46 4.77 0.59 -2.66 117.00 117.11 1mp1 n LEU 75 Ca -0.04 0.30 0.15 0.00 -0.03 0.00 0.00 56.01 56.40 1mp1 n LEU 75 Cb 0.61 -0.30 0.78 0.00 -2.33 0.00 0.00 43.42 42.17 1mp1 n LEU 75 CO 0.50 -0.01 1.01 -0.62 -1.33 0.00 0.00 177.39 176.94 1mp1 n GLU 76 N -1.30 0.68 -1.60 3.23 -0.58 0.25 -4.82 120.64 116.50 1mp1 n GLU 76 Ca 0.13 -0.07 -0.03 0.00 -0.42 0.00 0.00 57.16 56.76 1mp1 n GLU 76 Cb 0.24 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 1mp1 n GLU 76 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1mp1 n VAL 77 N -1.10 0.00 -0.01 2.62 0.24 -1.09 -5.04 118.33 113.95 1mp1 n VAL 77 Ca 0.17 -0.31 0.09 0.00 -2.04 0.00 0.00 64.34 62.25 1mp1 n VAL 77 Cb 0.22 -0.65 -0.16 0.00 -1.47 0.00 0.00 33.84 31.77 1mp1 n VAL 77 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1mp1 n LYS 78 N -0.92 0.66 -3.47 7.34 4.01 -1.26 -4.44 118.16 120.07 1mp1 n LYS 78 Ca 0.01 -0.17 -0.29 0.00 -0.51 0.00 0.00 58.31 57.35 1mp1 n LYS 78 Cb 0.09 -1.54 -0.12 0.00 -0.51 0.00 0.00 35.03 32.95 1mp1 n LYS 78 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 1mp1 s ASN 79 N -4.65 3.04 0.52 4.39 0.02 -1.26 -2.55 114.94 114.44 1mp1 s ASN 79 Ca -0.08 -2.10 -0.19 0.00 -1.02 0.00 0.00 52.86 49.47 1mp1 s ASN 79 Cb 0.13 -0.40 -0.07 0.00 0.02 0.00 0.00 41.25 40.93 1mp1 s ASN 79 CO 0.90 -0.32 1.04 -2.16 0.02 0.00 0.00 177.10 176.58 1mp1 s PRO 80 N 1.16 3.66 -0.62 -0.60 0.04 -1.26 -5.00 135.00 132.38 1mp1 s PRO 80 Ca 0.17 1.30 -0.18 0.00 0.04 0.00 0.00 61.00 62.33 1mp1 s PRO 80 Cb -0.22 -2.08 0.13 0.00 0.04 0.00 0.00 34.50 32.36 1mp1 s PRO 80 CO -0.03 -0.54 0.68 0.34 0.04 0.00 0.00 177.00 177.49 1mp1 s ASP 81 N -2.28 6.27 0.43 6.66 -1.08 -1.26 -4.88 116.67 120.54 1mp1 s ASP 81 Ca 0.66 -1.70 0.15 0.00 -0.52 0.00 0.00 52.55 51.13 1mp1 s ASP 81 Cb -0.16 -2.27 1.05 0.00 -1.46 0.00 0.00 42.92 40.07 1mp1 s ASP 81 CO 0.26 -0.98 1.96 -1.28 0.52 0.00 0.00 175.17 175.64 1mp1 h SER 82 N 8.93 0.37 -0.24 -0.34 0.87 -1.95 0.32 113.55 121.52 1mp1 h SER 82 Ca -0.23 0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.36 1mp1 h SER 82 Cb 1.08 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.96 1mp1 h SER 82 CO 1.05 0.21 0.11 0.11 -0.53 0.00 0.00 176.83 177.78 1mp1 h LYS 83 N 0.40 0.23 -0.19 2.24 1.79 -1.90 0.12 116.57 119.26 1mp1 h LYS 83 Ca 0.31 -0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.66 1mp1 h LYS 83 Cb 0.67 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.26 1mp1 h LYS 83 CO -0.09 0.15 -0.34 0.52 -1.08 0.00 0.00 179.45 178.61 1mp1 h MET 84 N 0.24 0.40 0.25 3.15 2.86 -1.48 0.53 114.93 120.88 1mp1 h MET 84 Ca 0.10 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1mp1 h MET 84 Cb 0.04 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1mp1 h MET 84 CO -0.07 0.70 -0.12 1.98 1.06 0.00 0.00 176.91 180.45 1mp1 h MET 85 N 0.34 -0.32 -0.16 1.72 -1.53 -0.30 1.15 114.93 115.83 1mp1 h MET 85 Ca 0.04 0.02 -0.13 0.00 -3.44 0.00 0.00 59.70 56.19 1mp1 h MET 85 Cb 0.77 0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 31.88 1mp1 h MET 85 CO 0.06 -0.16 -0.47 0.37 0.14 0.00 0.00 176.91 176.85 1mp1 h GLN 86 N -0.41 0.41 -0.39 0.39 4.15 -0.96 0.47 115.11 118.78 1mp1 h GLN 86 Ca -0.03 -0.23 -0.15 0.00 0.77 0.00 0.00 58.65 59.01 1mp1 h GLN 86 Cb 0.31 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 1mp1 h GLN 86 CO 0.06 0.80 -0.33 0.82 -1.93 0.00 0.00 178.83 178.24 1mp1 h ILE 87 N 0.33 1.28 -0.07 2.39 2.04 -0.69 0.25 117.51 123.03 1mp1 h ILE 87 Ca 0.02 -1.50 -0.09 0.00 1.00 0.00 0.00 64.86 64.30 1mp1 h ILE 87 Cb 0.95 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 1mp1 h ILE 87 CO 0.08 0.50 -0.29 0.78 0.00 0.00 0.00 178.15 179.22 1mp1 h ASN 88 N 0.72 0.38 -0.32 1.72 2.35 0.15 -2.75 115.58 117.83 1mp1 h ASN 88 Ca 0.07 -0.64 0.01 0.00 -0.55 0.00 0.00 56.30 55.20 1mp1 h ASN 88 Cb 0.92 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 39.15 1mp1 h ASN 88 CO 0.08 0.95 0.18 -0.07 -1.65 0.00 0.00 177.43 176.93 1mp1 h LEU 89 N -0.17 0.29 -2.58 1.61 3.38 -0.03 0.17 115.31 117.97 1mp1 h LEU 89 Ca -0.02 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1mp1 h LEU 89 Cb 0.93 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 1mp1 h LEU 89 CO 0.06 0.21 0.09 0.74 0.09 0.00 0.00 178.44 179.63 1mp1 h THR 90 N 0.37 0.22 0.00 0.22 2.02 -0.53 1.93 112.91 117.14 1mp1 h THR 90 Ca 0.13 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.24 1mp1 h THR 90 Cb 0.01 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1mp1 h THR 90 CO -0.07 0.00 -0.30 1.23 0.37 0.00 0.00 175.52 176.75 1mp1 h GLY 91 N 0.00 0.00 0.00 2.16 0.00 -0.65 -3.32 103.07 101.26 1mp1 h GLY 91 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.22 1mp1 h GLY 91 CO -0.00 0.00 -1.49 0.69 0.00 0.00 0.00 176.54 175.74 1mp1 n PHE 92 N -3.58 0.00 -0.60 5.60 3.01 0.67 -5.04 117.46 117.52 1mp1 n PHE 92 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1mp1 n PHE 92 Cb 0.44 -0.34 0.00 0.00 -0.01 0.00 0.00 39.48 39.57 1mp1 n PHE 92 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1mp1 n LEU 93 N -2.64 0.00 0.01 4.37 4.77 0.62 -4.96 117.00 119.18 1mp1 n LEU 93 Ca -0.14 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 55.95 1mp1 n LEU 93 Cb 0.68 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.86 1mp1 n LEU 93 CO 0.10 -0.71 0.18 0.59 -1.33 0.00 0.00 177.39 176.23 1mp1 n ASN 94 N -2.57 0.65 0.00 -1.43 3.02 -1.26 -4.80 115.26 108.88 1mp1 n ASN 94 Ca 0.00 -0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.17 1mp1 n ASN 94 Cb 0.00 0.60 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 1mp1 n ASN 94 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mp1 n GLY 95 N 1.45 2.97 0.28 7.41 0.00 -1.26 -4.79 105.19 111.24 1mp1 n GLY 95 Ca 0.04 -0.80 -0.01 0.00 0.00 0.00 0.00 46.02 45.25 1mp1 n GLY 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mp1 h LYS 96 N 0.00 0.59 -0.12 1.61 1.79 -1.97 -1.62 116.57 116.85 1mp1 h LYS 96 Ca 0.00 -0.13 -0.14 0.00 -2.18 0.00 0.00 60.65 58.19 1mp1 h LYS 96 Cb 0.00 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.56 1mp1 h LYS 96 CO 0.00 0.61 -0.54 -0.91 -1.08 0.00 0.00 179.45 177.53 1mp1 h ASN 97 N 0.57 0.38 -0.72 0.86 2.35 -1.97 -1.62 115.58 115.43 1mp1 h ASN 97 Ca 0.12 -0.20 -0.06 0.00 -0.55 0.00 0.00 56.30 55.61 1mp1 h ASN 97 Cb 0.36 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.59 1mp1 h ASN 97 CO 0.01 0.85 0.23 0.00 -1.65 0.00 0.00 177.43 176.88 1mp1 h ALA 98 N 1.16 1.03 -0.39 -0.83 0.00 -1.67 1.36 119.26 119.92 1mp1 h ALA 98 Ca 0.00 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 1mp1 h ALA 98 Cb 1.04 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1mp1 h ALA 98 CO 0.09 0.66 -0.39 0.00 0.00 0.00 0.00 179.25 179.61 1mp1 h ARG 99 N 1.09 0.94 -0.12 0.00 3.08 -1.11 -1.49 114.38 116.77 1mp1 h ARG 99 Ca 0.24 -0.50 -0.23 0.00 0.07 0.00 0.00 59.98 59.56 1mp1 h ARG 99 Cb 0.29 0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.37 1mp1 h ARG 99 CO -0.01 1.16 -0.82 0.93 -1.07 0.00 0.00 179.97 180.16 1mp1 h GLU 100 N 0.77 0.73 0.02 0.04 4.39 -0.92 -1.72 114.58 117.89 1mp1 h GLU 100 Ca 0.06 -0.63 -0.00 0.00 0.34 0.00 0.00 59.36 59.13 1mp1 h GLU 100 Cb 0.98 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1mp1 h GLU 100 CO 0.10 1.23 -0.01 0.35 -1.16 0.00 0.00 179.01 179.52 1mp1 h PHE 101 N 0.48 -0.02 0.00 4.33 3.04 0.19 -2.32 116.94 122.65 1mp1 h PHE 101 Ca -0.06 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.82 1mp1 h PHE 101 Cb 1.45 0.01 -0.01 0.00 2.56 0.00 0.00 35.95 39.95 1mp1 h PHE 101 CO 0.08 0.01 -0.33 0.52 -2.02 0.00 0.00 178.31 176.57 1mp1 h MET 102 N -0.04 0.00 -0.17 1.11 2.86 -1.33 -0.57 114.93 116.80 1mp1 h MET 102 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1mp1 h MET 102 Cb 0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1mp1 h MET 102 CO 0.00 0.33 0.00 0.41 1.06 0.00 0.00 176.91 178.72 1mp1 n GLY 103 N -0.34 -0.42 0.00 8.32 0.00 -0.65 -0.57 105.19 111.54 1mp1 n GLY 103 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1mp1 n GLY 103 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1mp1 n GLU 104 N -0.26 2.18 -0.08 1.61 -0.58 -0.73 -4.63 120.64 118.15 1mp1 n GLU 104 Ca 0.02 0.00 -0.18 0.00 -0.42 0.00 0.00 57.16 56.58 1mp1 n GLU 104 Cb 0.09 -0.75 -0.13 0.00 -0.57 0.00 0.00 31.44 30.08 1mp1 n GLU 104 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1mp1 n LEU 105 N -1.16 2.59 -0.24 -4.62 -0.00 -0.30 -2.88 117.00 110.40 1mp1 n LEU 105 Ca 0.00 0.01 -0.06 0.00 -0.00 0.00 0.00 56.01 55.97 1mp1 n LEU 105 Cb 0.21 -0.86 0.05 0.00 -0.00 0.00 0.00 43.42 42.82 1mp1 n LEU 105 CO 0.00 0.86 1.13 -0.25 -0.00 0.00 0.00 177.39 179.14 1mp1 h TRP 106 N 0.03 0.86 0.00 1.96 2.91 -1.05 -1.66 115.95 119.00 1mp1 h TRP 106 Ca -0.51 0.01 -0.11 0.00 1.13 0.00 0.00 58.89 59.40 1mp1 h TRP 106 Cb 1.97 -0.29 -0.02 0.00 -0.51 0.00 0.00 29.16 30.32 1mp1 h TRP 106 CO 0.04 0.56 -0.54 -1.00 -1.03 0.00 0.00 178.44 176.47 1mp1 h PRO 107 N 0.90 0.00 -0.74 2.65 0.13 -1.74 -2.90 132.00 130.30 1mp1 h PRO 107 Ca 0.24 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.41 1mp1 h PRO 107 Cb -0.07 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.02 1mp1 h PRO 107 CO -0.05 0.54 0.46 1.25 -0.23 0.00 0.00 178.00 179.98 1mp1 h LEU 108 N 0.00 0.76 -0.61 1.56 5.85 -1.18 -0.86 115.31 120.83 1mp1 h LEU 108 Ca -0.01 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.56 1mp1 h LEU 108 Cb 1.17 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 1mp1 h LEU 108 CO 0.07 0.52 -0.63 -0.07 -0.34 0.00 0.00 178.44 177.99 1mp1 h LEU 109 N 0.90 0.28 -0.60 2.25 3.38 -1.37 -0.91 115.31 119.23 1mp1 h LEU 109 Ca 0.30 -0.17 0.10 0.00 0.09 0.00 0.00 57.88 58.21 1mp1 h LEU 109 Cb 0.04 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.63 1mp1 h LEU 109 CO -0.12 0.84 0.19 -0.07 0.09 0.00 0.00 178.44 179.37 1mp1 h LEU 110 N 0.18 0.15 -0.01 1.67 4.07 -0.98 1.68 115.31 122.06 1mp1 h LEU 110 Ca -0.01 0.09 -0.23 0.00 0.08 0.00 0.00 57.88 57.81 1mp1 h LEU 110 Cb 1.15 0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.97 1mp1 h LEU 110 CO 0.10 0.09 -1.07 -1.28 -1.08 0.00 0.00 178.44 175.20 1mp1 h SER 111 N 0.36 0.23 -0.18 -0.43 0.87 -1.27 -3.18 113.55 109.94 1mp1 h SER 111 Ca 0.31 -0.24 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 1mp1 h SER 111 Cb 0.41 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 1mp1 h SER 111 CO -0.34 1.15 0.03 0.00 -0.53 0.00 0.00 176.83 177.15 1mp1 h ALA 112 N 0.82 0.24 0.00 6.23 0.00 0.29 -1.77 119.26 125.08 1mp1 h ALA 112 Ca -0.07 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1mp1 h ALA 112 Cb 1.79 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1mp1 h ALA 112 CO 0.16 -0.10 0.00 -0.56 0.00 0.00 0.00 179.25 178.75 1mp1 h GLN 113 N 0.10 0.00 0.00 0.00 3.07 0.24 0.49 115.11 119.01 1mp1 h GLN 113 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.80 1mp1 h GLN 113 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.86 1mp1 h GLN 113 CO 0.00 0.00 -0.40 0.39 0.09 0.00 0.00 178.83 178.91 1mp1 n GLU 114 N -2.72 0.08 -0.11 0.06 -0.58 -0.69 -4.79 120.64 111.90 1mp1 n GLU 114 Ca -0.02 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 1mp1 n GLU 114 Cb 0.06 -1.56 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 1mp1 n GLU 114 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1mp1 n ASN 115 N -1.69 0.00 -0.06 1.62 3.02 0.17 -5.05 115.26 113.28 1mp1 n ASN 115 Ca 0.05 -0.42 -0.09 0.00 -0.03 0.00 0.00 54.58 54.10 1mp1 n ASN 115 Cb 0.37 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.48 1mp1 n ASN 115 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mp1 n ILE 116 N -0.73 0.65 1.42 2.41 0.00 -1.26 -4.50 119.36 117.36 1mp1 n ILE 116 Ca 0.00 -0.24 0.12 0.00 0.00 0.00 0.00 62.75 62.63 1mp1 n ILE 116 Cb 0.00 -1.00 0.47 0.00 0.00 0.00 0.00 39.64 39.11 1mp1 n ILE 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1mp1 n ALA 117 N -2.93 2.56 -3.14 1.51 0.00 -1.26 -4.91 120.51 112.34 1mp1 n ALA 117 Ca -0.21 -0.45 -0.15 0.00 0.00 0.00 0.00 53.44 52.64 1mp1 n ALA 117 Cb 0.71 -1.15 0.05 0.00 0.00 0.00 0.00 19.45 19.05 1mp1 n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mp1 n GLY 118 N 1.12 0.03 3.40 0.00 0.00 -1.25 -4.34 105.19 104.15 1mp1 n GLY 118 Ca 0.17 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1mp1 n GLY 118 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mp1 s ILE 119 N -3.18 2.66 0.46 -0.61 1.09 -1.24 0.41 121.20 120.80 1mp1 s ILE 119 Ca 0.35 -0.87 -0.21 0.00 -1.10 0.00 0.00 60.65 58.82 1mp1 s ILE 119 Cb -0.15 -2.01 -0.09 0.00 -1.06 0.00 0.00 42.46 39.15 1mp1 s ILE 119 CO 0.43 0.58 1.04 -2.16 -0.10 0.00 0.00 174.94 174.73 1mp1 s PRO 120 N -0.59 3.90 0.47 2.79 0.04 -1.26 -4.18 135.00 136.16 1mp1 s PRO 120 Ca 0.09 1.40 0.32 0.00 0.04 0.00 0.00 61.00 62.85 1mp1 s PRO 120 Cb -0.11 -2.22 1.65 0.00 0.04 0.00 0.00 34.50 33.87 1mp1 s PRO 120 CO 0.01 -0.35 1.97 0.66 0.04 0.00 0.00 177.00 179.32 1mp1 h SER 121 N 1.81 0.00 0.00 6.66 4.64 -1.86 -0.57 113.55 124.23 1mp1 h SER 121 Ca -0.49 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1mp1 h SER 121 Cb 1.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1mp1 h SER 121 CO 0.60 0.00 -0.00 0.00 -0.87 0.00 0.00 176.83 176.56 1mp1 h ALA 122 N 2.03 1.94 0.01 5.18 0.00 -1.94 -1.45 119.26 125.03 1mp1 h ALA 122 Ca 0.00 -0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.53 1mp1 h ALA 122 Cb 0.09 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 1mp1 h ALA 122 CO 0.00 0.00 -2.39 1.19 0.00 0.00 0.00 179.25 178.05 1mp1 n PHE 123 N -4.46 0.11 0.11 0.00 3.72 -0.26 -4.29 117.46 112.39 1mp1 n PHE 123 Ca -0.03 0.03 -0.07 0.00 -0.05 0.00 0.00 57.45 57.33 1mp1 n PHE 123 Cb 0.09 -1.02 -0.04 0.00 -0.94 0.00 0.00 39.48 37.57 1mp1 n PHE 123 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1mp1 h LEU 124 N 0.00 -0.58 -0.87 4.37 3.38 -1.12 -2.85 115.31 117.66 1mp1 h LEU 124 Ca -0.55 0.05 0.09 0.00 0.09 0.00 0.00 57.88 57.56 1mp1 h LEU 124 Cb 2.04 0.19 -0.11 0.00 0.09 0.00 0.00 40.66 42.87 1mp1 h LEU 124 CO -0.03 -0.26 -0.46 1.21 0.09 0.00 0.00 178.44 178.98 1mp1 n GLU 125 N -3.59 -0.33 -1.65 1.13 4.07 -0.58 -4.39 120.64 115.30 1mp1 n GLU 125 Ca -0.05 1.32 -0.64 0.00 -0.06 0.00 0.00 57.16 57.73 1mp1 n GLU 125 Cb 0.18 -1.94 -0.09 0.00 -0.06 0.00 0.00 31.44 29.53 1mp1 n GLU 125 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1mp1 n LEU 126 N -5.14 0.76 0.00 4.31 4.77 -1.08 -4.84 117.00 115.79 1mp1 n LEU 126 Ca 0.04 1.18 0.00 0.00 -0.03 0.00 0.00 56.01 57.19 1mp1 n LEU 126 Cb 0.26 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.45 1mp1 n LEU 126 CO -0.13 -1.25 0.50 0.29 -1.33 0.00 0.00 177.39 175.47 1mp1 n LYS 127 N 3.04 0.00 -1.50 3.23 5.02 -1.26 -4.29 118.16 122.40 1mp1 n LYS 127 Ca 0.27 0.74 -0.38 0.00 -2.02 0.00 0.00 58.31 56.91 1mp1 n LYS 127 Cb -0.00 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 33.35 1mp1 n LYS 127 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1mp1 n LYS 128 N -2.47 0.02 -2.05 1.97 4.81 -1.26 -4.77 118.16 114.41 1mp1 n LYS 128 Ca 0.00 -0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.01 1mp1 n LYS 128 Cb 0.00 -1.47 -0.03 0.00 0.02 0.00 0.00 35.03 33.55 1mp1 n LYS 128 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1mp1 s GLU 129 N 8.73 4.20 -0.77 1.64 2.12 -1.26 -4.92 118.70 128.44 1mp1 s GLU 129 Ca 1.35 2.15 0.02 0.00 0.36 0.00 0.00 54.97 58.85 1mp1 s GLU 129 Cb -1.19 -3.87 0.34 0.00 0.26 0.00 0.00 34.13 29.67 1mp1 s GLU 129 CO 0.50 -0.79 1.41 -0.85 -0.54 0.00 0.00 175.26 174.99 1mp1 n GLU 130 N 6.67 4.12 -3.69 4.30 0.28 -1.26 -4.86 120.64 126.20 1mp1 n GLU 130 Ca 0.16 -4.64 -0.27 0.00 -0.16 0.00 0.00 57.16 52.25 1mp1 n GLU 130 Cb 0.43 -2.34 -0.10 0.00 1.43 0.00 0.00 31.44 30.86 1mp1 n GLU 130 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1mp1 n ILE 131 N -0.22 1.53 -3.19 3.84 2.08 -1.26 -4.91 119.36 117.23 1mp1 n ILE 131 Ca 0.40 -4.82 -0.22 0.00 0.56 0.00 0.00 62.75 58.67 1mp1 n ILE 131 Cb 0.35 -2.11 -0.05 0.00 -0.75 0.00 0.00 39.64 37.08 1mp1 n ILE 131 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 1mp1 n LYS 132 N 1.67 0.91 -4.04 0.38 0.00 -1.26 -5.10 118.16 110.73 1mp1 n LYS 132 Ca 0.24 -3.35 -0.10 0.00 0.00 0.00 0.00 58.31 55.10 1mp1 n LYS 132 Cb 0.39 -1.47 -0.06 0.00 0.00 0.00 0.00 35.03 33.89 1mp1 n LYS 132 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1mp1 s GLN 133 N -1.80 1.52 0.00 1.64 1.11 -1.26 -5.26 119.66 115.61 1mp1 s GLN 133 Ca 0.38 -1.35 0.01 0.00 0.01 0.00 0.00 55.36 54.41 1mp1 s GLN 133 Cb 0.25 0.44 0.07 0.00 -1.01 0.00 0.00 33.01 32.76 1mp1 s GLN 133 CO -0.10 -0.61 0.57 -2.13 0.01 0.00 0.00 175.29 173.03