#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fe4 s LYS 15 N 0.00 2.72 -0.27 -1.08 1.02 -1.26 -1.77 119.74 119.10 2fe4 s LYS 15 Ca 0.00 -1.03 -0.08 0.00 0.02 0.00 0.00 55.97 54.88 2fe4 s LYS 15 Cb 0.00 -2.81 -0.02 0.00 -0.52 0.00 0.00 37.83 34.48 2fe4 s LYS 15 CO 0.00 -0.38 0.09 -0.51 -0.92 0.00 0.00 175.35 173.62 2fe4 s LEU 16 N 1.25 3.62 -0.17 3.17 1.02 0.51 -1.11 118.68 126.97 2fe4 s LEU 16 Ca -0.01 -0.33 -0.04 0.00 0.02 0.00 0.00 54.13 53.77 2fe4 s LEU 16 Cb -0.16 -1.93 -0.03 0.00 0.02 0.00 0.00 46.19 44.09 2fe4 s LEU 16 CO -0.08 -0.08 -0.02 -0.69 0.02 0.00 0.00 176.35 175.50 2fe4 s VAL 17 N 1.60 3.97 -0.17 -1.59 1.01 0.10 0.24 120.40 125.55 2fe4 s VAL 17 Ca 0.06 -0.32 -0.17 0.00 0.00 0.00 0.00 61.98 61.55 2fe4 s VAL 17 Cb -0.16 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 2fe4 s VAL 17 CO 0.04 0.47 0.42 -0.36 0.00 0.00 0.00 175.10 175.67 2fe4 s PHE 18 N 0.61 3.43 0.12 5.22 0.40 0.06 -0.10 117.98 127.72 2fe4 s PHE 18 Ca -0.02 0.72 0.05 0.00 -0.60 0.00 0.00 56.93 57.09 2fe4 s PHE 18 Cb -0.14 -2.52 -0.04 0.00 0.51 0.00 0.00 43.02 40.83 2fe4 s PHE 18 CO 0.02 0.07 -0.12 -0.51 0.70 0.00 0.00 175.22 175.39 2fe4 s LEU 19 N 1.00 2.43 0.00 -0.37 1.43 0.93 -3.46 118.68 120.63 2fe4 s LEU 19 Ca 0.22 -0.85 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 2fe4 s LEU 19 Cb -0.15 -0.41 0.00 0.00 0.03 0.00 0.00 46.19 45.66 2fe4 s LEU 19 CO 0.08 -0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.04 2fe4 n GLY 20 N 0.41 3.14 3.73 -3.19 0.00 -1.26 -0.01 105.19 108.01 2fe4 n GLY 20 Ca -0.15 -1.45 -0.33 0.00 0.00 0.00 0.00 46.02 44.09 2fe4 n GLY 20 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2fe4 s GLU 21 N -2.18 2.12 0.27 1.61 0.41 -1.26 -3.76 118.70 115.92 2fe4 s GLU 21 Ca 0.00 1.57 -0.29 0.00 -0.41 0.00 0.00 54.97 55.83 2fe4 s GLU 21 Cb 0.00 -1.85 -0.14 0.00 -1.78 0.00 0.00 34.13 30.36 2fe4 s GLU 21 CO 0.00 -1.81 1.16 0.94 -0.49 0.00 0.00 175.26 175.07 2fe4 n GLN 22 N -3.00 1.62 -1.60 1.61 7.27 -1.26 -2.53 117.38 119.48 2fe4 n GLN 22 Ca 0.12 0.57 -0.15 0.00 0.07 0.00 0.00 57.00 57.60 2fe4 n GLN 22 Cb 0.51 -2.06 -0.06 0.00 2.41 0.00 0.00 30.24 31.05 2fe4 n GLN 22 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 2fe4 n SER 23 N 1.40 -4.82 0.18 1.69 3.41 -1.26 -4.88 113.62 109.34 2fe4 n SER 23 Ca 0.10 0.31 0.12 0.00 -0.26 0.00 0.00 58.87 59.14 2fe4 n SER 23 Cb 0.32 -3.74 0.21 0.00 -0.26 0.00 0.00 64.21 60.75 2fe4 n SER 23 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 2fe4 h VAL 24 N 0.00 0.00 0.00 -3.33 -1.51 -1.84 -3.47 116.25 106.09 2fe4 h VAL 24 Ca -0.33 -0.87 0.00 0.00 -1.23 0.00 0.00 66.70 64.27 2fe4 h VAL 24 Cb 1.06 1.83 0.00 0.00 -2.13 0.00 0.00 31.29 32.05 2fe4 h VAL 24 CO 0.46 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.41 2fe4 n GLY 25 N 1.16 1.75 0.21 5.19 0.00 -1.26 -4.60 105.19 107.63 2fe4 n GLY 25 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 2fe4 n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fe4 h LYS 26 N 0.00 -0.25 -0.71 1.61 1.57 -1.91 -1.71 116.57 115.18 2fe4 h LYS 26 Ca 0.00 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 2fe4 h LYS 26 Cb 0.00 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 2fe4 h LYS 26 CO 0.00 -0.16 0.27 1.15 -0.57 0.00 0.00 179.45 180.13 2fe4 h THR 27 N -0.26 1.25 -0.96 -0.16 2.02 -1.96 -2.47 112.91 110.37 2fe4 h THR 27 Ca 0.06 -0.81 0.04 0.00 0.77 0.00 0.00 66.41 66.48 2fe4 h THR 27 Cb 0.34 0.45 -0.06 0.00 -1.74 0.00 0.00 68.15 67.14 2fe4 h THR 27 CO -0.17 0.32 0.62 0.28 0.37 0.00 0.00 175.52 176.94 2fe4 h SER 28 N 1.01 1.03 -0.46 4.18 0.02 -1.91 0.47 113.55 117.89 2fe4 h SER 28 Ca 0.23 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.12 2fe4 h SER 28 Cb 0.24 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 2fe4 h SER 28 CO -0.02 0.69 0.07 -0.07 -1.14 0.00 0.00 176.83 176.37 2fe4 h LEU 29 N 1.19 0.73 0.00 5.07 3.38 -1.07 0.46 115.31 125.07 2fe4 h LEU 29 Ca 0.39 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 2fe4 h LEU 29 Cb 0.04 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.60 2fe4 h LEU 29 CO -0.14 0.80 -0.00 0.40 0.09 0.00 0.00 178.44 179.60 2fe4 h ILE 30 N 0.62 1.15 -1.01 1.22 2.04 -0.91 -1.59 117.51 119.04 2fe4 h ILE 30 Ca 0.14 -0.46 0.04 0.00 1.00 0.00 0.00 64.86 65.58 2fe4 h ILE 30 Cb 0.39 1.46 -0.06 0.00 -0.74 0.00 0.00 36.82 37.87 2fe4 h ILE 30 CO 0.01 0.12 0.66 0.74 0.00 0.00 0.00 178.15 179.68 2fe4 h THR 31 N -0.20 1.18 -0.22 -0.27 2.02 0.06 -0.92 112.91 114.56 2fe4 h THR 31 Ca -0.00 -0.44 -0.03 0.00 0.77 0.00 0.00 66.41 66.72 2fe4 h THR 31 Cb 0.20 -0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.39 2fe4 h THR 31 CO 0.00 0.23 0.04 -0.09 0.37 0.00 0.00 175.52 176.07 2fe4 h ARG 32 N 1.28 0.37 -0.69 6.66 9.65 0.10 -1.18 114.38 130.56 2fe4 h ARG 32 Ca 0.40 -0.10 -0.06 0.00 -1.10 0.00 0.00 59.98 59.13 2fe4 h ARG 32 Cb -0.01 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.50 2fe4 h ARG 32 CO -0.12 0.50 0.21 0.35 2.80 0.00 0.00 179.97 183.71 2fe4 h PHE 33 N 0.17 1.11 0.04 2.20 3.57 -0.93 0.27 116.94 123.37 2fe4 h PHE 33 Ca 0.07 -0.11 -0.07 0.00 3.53 0.00 0.00 57.97 61.39 2fe4 h PHE 33 Cb 0.31 -0.32 0.01 0.00 2.79 0.00 0.00 35.95 38.74 2fe4 h PHE 33 CO 0.02 0.89 -0.29 0.52 -2.23 0.00 0.00 178.31 177.21 2fe4 h MET 34 N 1.03 0.13 -0.01 1.11 2.86 -1.13 -3.40 114.93 115.53 2fe4 h MET 34 Ca 0.22 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2fe4 h MET 34 Cb 0.30 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.03 2fe4 h MET 34 CO -0.01 1.04 -0.03 0.66 1.06 0.00 0.00 176.91 179.63 2fe4 n TYR 35 N -4.45 0.00 -3.75 -0.22 4.01 -0.45 -5.01 117.16 107.29 2fe4 n TYR 35 Ca -0.11 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.40 2fe4 n TYR 35 Cb 0.58 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.64 2fe4 n TYR 35 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2fe4 n ASP 36 N 0.24 -1.92 -4.24 7.72 2.03 0.08 -4.99 116.55 115.47 2fe4 n ASP 36 Ca 0.04 -0.81 -0.14 0.00 0.52 0.00 0.00 54.79 54.40 2fe4 n ASP 36 Cb 0.16 -4.00 -0.10 0.00 -0.72 0.00 0.00 41.12 36.46 2fe4 n ASP 36 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2fe4 s SER 37 N -4.14 0.63 -0.17 1.67 1.04 -1.26 -5.02 113.70 106.45 2fe4 s SER 37 Ca 0.14 -1.36 -0.07 0.00 0.48 0.00 0.00 55.95 55.14 2fe4 s SER 37 Cb -0.07 0.27 0.07 0.00 0.10 0.00 0.00 66.02 66.39 2fe4 s SER 37 CO 0.82 -0.77 0.37 0.12 0.98 0.00 0.00 173.24 174.76 2fe4 s PHE 38 N -3.96 -0.61 -0.10 5.02 2.19 -1.26 -3.74 117.98 115.52 2fe4 s PHE 38 Ca 0.36 1.26 0.03 0.00 0.33 0.00 0.00 56.93 58.91 2fe4 s PHE 38 Cb 0.07 0.21 -0.01 0.00 -1.31 0.00 0.00 43.02 41.99 2fe4 s PHE 38 CO 0.11 -0.37 -0.19 0.34 1.83 0.00 0.00 175.22 176.94 2fe4 s ASP 39 N 1.87 3.53 0.00 6.13 3.68 -1.26 -5.04 116.67 125.58 2fe4 s ASP 39 Ca -0.06 -0.43 0.30 0.00 2.13 0.00 0.00 52.55 54.49 2fe4 s ASP 39 Cb -0.10 -1.39 1.53 0.00 -1.45 0.00 0.00 42.92 41.51 2fe4 s ASP 39 CO -0.12 0.19 2.01 -0.46 0.13 0.00 0.00 175.17 176.92 2fe4 n ASN 40 N 3.37 0.63 -4.69 -0.34 2.04 -1.26 -4.92 115.26 110.09 2fe4 n ASN 40 Ca -0.18 -1.22 -0.26 0.00 -0.44 0.00 0.00 54.58 52.47 2fe4 n ASN 40 Cb 0.53 -0.00 0.10 0.00 -2.53 0.00 0.00 39.78 37.88 2fe4 n ASN 40 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 2fe4 s THR 41 N -2.00 2.18 0.27 5.53 -4.23 -1.26 -5.07 115.64 111.06 2fe4 s THR 41 Ca 0.43 -0.29 -0.06 0.00 -1.18 0.00 0.00 61.69 60.60 2fe4 s THR 41 Cb 0.21 -2.90 -0.06 0.00 1.34 0.00 0.00 72.50 71.10 2fe4 s THR 41 CO 0.35 0.00 0.54 -0.72 -0.54 0.00 0.00 174.62 174.25 2fe4 s TYR 42 N -3.37 3.47 -0.24 3.99 -0.00 -1.26 -5.05 117.35 114.89 2fe4 s TYR 42 Ca 0.65 0.68 -0.04 0.00 -0.00 0.00 0.00 57.07 58.35 2fe4 s TYR 42 Cb -0.08 -2.12 0.08 0.00 -0.00 0.00 0.00 41.96 39.84 2fe4 s TYR 42 CO 0.46 0.21 0.11 -1.14 -0.00 0.00 0.00 175.55 175.20 2fe4 s GLN 43 N -3.34 0.13 -0.48 -3.49 0.74 -1.26 -5.08 119.66 106.88 2fe4 s GLN 43 Ca 0.44 -0.33 -0.29 0.00 0.05 0.00 0.00 55.36 55.24 2fe4 s GLN 43 Cb -0.11 -1.45 0.03 0.00 1.10 0.00 0.00 33.01 32.58 2fe4 s GLN 43 CO 0.28 -0.87 1.11 0.00 -0.55 0.00 0.00 175.29 175.26 2fe4 s ALA 44 N 2.12 3.16 -0.23 1.58 0.00 -1.26 -4.97 121.76 122.16 2fe4 s ALA 44 Ca 0.06 -0.53 -0.07 0.00 0.00 0.00 0.00 51.96 51.42 2fe4 s ALA 44 Cb -0.16 -3.87 -0.03 0.00 0.00 0.00 0.00 23.12 19.06 2fe4 s ALA 44 CO -0.25 -2.25 0.07 0.95 0.00 0.00 0.00 175.76 174.29 2fe4 s THR 45 N 4.38 4.47 -0.37 0.00 -4.23 -1.26 -4.77 115.64 113.86 2fe4 s THR 45 Ca 0.46 -0.13 0.05 0.00 -1.18 0.00 0.00 61.69 60.90 2fe4 s THR 45 Cb -0.07 -3.07 0.29 0.00 1.34 0.00 0.00 72.50 70.99 2fe4 s THR 45 CO 0.31 0.37 1.28 -0.38 -0.54 0.00 0.00 174.62 175.66 2fe4 n ILE 46 N 4.53 0.00 -3.60 2.99 -0.00 -1.26 -3.07 119.36 118.96 2fe4 n ILE 46 Ca -0.16 -0.94 -0.11 0.00 -0.00 0.00 0.00 62.75 61.54 2fe4 n ILE 46 Cb 0.52 1.12 -0.06 0.00 -0.00 0.00 0.00 39.64 41.22 2fe4 n ILE 46 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 2fe4 s GLY 47 N -0.56 -0.25 -1.58 7.39 0.00 -1.26 -4.97 107.32 106.10 2fe4 s GLY 47 Ca 0.19 2.23 -0.01 0.00 0.00 0.00 0.00 44.72 47.13 2fe4 s GLY 47 CO -0.13 1.36 0.15 0.29 0.00 0.00 0.00 173.10 174.77 2fe4 n ILE 48 N 1.37 -1.13 0.00 0.90 -0.00 -1.26 -4.90 119.36 114.34 2fe4 n ILE 48 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.63 2fe4 n ILE 48 Cb 0.57 -2.80 0.00 0.00 -0.00 0.00 0.00 39.64 37.41 2fe4 n ILE 48 CO 0.00 0.00 0.00 -0.90 -0.00 0.00 0.00 176.55 175.65 2fe4 n ASP 49 N -2.10 0.00 -3.68 7.28 3.85 -1.26 -4.88 116.55 115.77 2fe4 n ASP 49 Ca -0.19 0.00 -0.14 0.00 -0.71 0.00 0.00 54.79 53.75 2fe4 n ASP 49 Cb 0.65 0.00 -0.08 0.00 -1.35 0.00 0.00 41.12 40.34 2fe4 n ASP 49 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.20 176.91 2fe4 s PHE 50 N -0.26 -0.49 0.10 2.11 -0.12 -1.26 -3.64 117.98 114.42 2fe4 s PHE 50 Ca 0.00 1.05 0.09 0.00 -0.05 0.00 0.00 56.93 58.03 2fe4 s PHE 50 Cb 0.00 0.21 -0.04 0.00 -0.63 0.00 0.00 43.02 42.56 2fe4 s PHE 50 CO 0.00 -0.36 -0.24 -0.51 -0.05 0.00 0.00 175.22 174.05 2fe4 s LEU 51 N -0.40 2.27 0.15 -1.99 1.43 -0.09 -4.97 118.68 115.09 2fe4 s LEU 51 Ca -0.05 -0.68 0.09 0.00 -1.03 0.00 0.00 54.13 52.45 2fe4 s LEU 51 Cb -0.03 -1.10 -0.04 0.00 0.03 0.00 0.00 46.19 45.05 2fe4 s LEU 51 CO 0.03 0.15 -0.20 -0.55 0.23 0.00 0.00 176.35 176.02 2fe4 s SER 52 N -1.80 2.74 -0.27 2.29 0.15 -1.26 0.76 113.70 116.31 2fe4 s SER 52 Ca 0.11 -0.81 -0.25 0.00 0.70 0.00 0.00 55.95 55.69 2fe4 s SER 52 Cb -0.10 -0.16 0.11 0.00 -1.71 0.00 0.00 66.02 64.16 2fe4 s SER 52 CO 0.04 0.01 0.96 -0.75 1.20 0.00 0.00 173.24 174.71 2fe4 s LYS 53 N -2.51 0.58 -0.14 5.44 2.20 -0.59 -4.99 119.74 119.74 2fe4 s LYS 53 Ca 0.13 0.64 -0.10 0.00 -0.36 0.00 0.00 55.97 56.28 2fe4 s LYS 53 Cb -0.07 0.28 -0.05 0.00 -1.51 0.00 0.00 37.83 36.49 2fe4 s LYS 53 CO 0.06 -0.08 0.20 0.99 -0.36 0.00 0.00 175.35 176.16 2fe4 s THR 54 N 0.15 5.38 0.04 3.43 2.01 -1.26 0.63 115.64 126.02 2fe4 s THR 54 Ca 0.02 0.34 0.03 0.00 0.31 0.00 0.00 61.69 62.39 2fe4 s THR 54 Cb -0.05 -3.51 -0.02 0.00 0.01 0.00 0.00 72.50 68.94 2fe4 s THR 54 CO -0.04 0.50 -0.09 -0.32 -0.69 0.00 0.00 174.62 173.99 2fe4 s MET 55 N -0.24 0.58 0.29 4.92 1.75 -0.41 -4.96 119.30 121.23 2fe4 s MET 55 Ca 0.14 -0.71 -0.18 0.00 -1.25 0.00 0.00 55.69 53.69 2fe4 s MET 55 Cb -0.12 -0.41 -0.09 0.00 2.84 0.00 0.00 34.83 37.05 2fe4 s MET 55 CO 0.03 0.09 0.76 -0.47 -0.65 0.00 0.00 175.02 174.78 2fe4 s TYR 56 N -1.18 3.49 0.00 4.11 5.04 -1.26 -1.56 117.35 125.98 2fe4 s TYR 56 Ca -0.07 1.35 0.00 0.00 -2.44 0.00 0.00 57.07 55.91 2fe4 s TYR 56 Cb -0.09 -2.61 0.00 0.00 0.35 0.00 0.00 41.96 39.61 2fe4 s TYR 56 CO 0.01 0.17 0.00 1.47 -1.34 0.00 0.00 175.55 175.86 2fe4 n LEU 57 N 0.07 0.00 -4.06 6.97 -0.00 -0.28 -4.97 117.00 114.74 2fe4 n LEU 57 Ca 0.02 0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 55.69 2fe4 n LEU 57 Cb 0.52 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.92 2fe4 n LEU 57 CO 0.42 0.00 -0.27 -0.62 -0.00 0.00 0.00 177.39 176.92 2fe4 n GLU 58 N -0.22 -1.48 -2.70 1.47 1.02 -1.26 -1.17 120.64 116.31 2fe4 n GLU 58 Ca 0.00 0.23 -0.22 0.00 -0.02 0.00 0.00 57.16 57.15 2fe4 n GLU 58 Cb 0.00 -3.67 0.01 0.00 -0.02 0.00 0.00 31.44 27.77 2fe4 n GLU 58 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2fe4 n ASP 59 N -2.70 -6.06 -2.84 1.62 10.43 -1.26 -4.94 116.55 110.81 2fe4 n ASP 59 Ca -0.23 -0.15 -0.04 0.00 2.57 0.00 0.00 54.79 56.94 2fe4 n ASP 59 Cb 0.64 -4.97 0.02 0.00 1.84 0.00 0.00 41.12 38.66 2fe4 n ASP 59 CO 0.00 0.00 0.00 -2.11 -1.07 0.00 0.00 177.20 174.02 2fe4 n ARG 60 N -3.51 0.67 -4.87 -1.24 1.85 -0.31 -5.17 116.66 104.09 2fe4 n ARG 60 Ca -0.19 -1.45 -0.29 0.00 -1.00 0.00 0.00 57.85 54.92 2fe4 n ARG 60 Cb 0.66 1.90 -0.15 0.00 -1.05 0.00 0.00 32.46 33.83 2fe4 n ARG 60 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2fe4 s THR 61 N -2.16 2.06 -0.02 8.89 -4.23 -1.26 -1.13 115.64 117.79 2fe4 s THR 61 Ca 0.18 -1.36 -0.00 0.00 -1.18 0.00 0.00 61.69 59.33 2fe4 s THR 61 Cb -0.03 -1.77 0.03 0.00 1.34 0.00 0.00 72.50 72.08 2fe4 s THR 61 CO 0.06 0.34 0.04 0.68 -0.54 0.00 0.00 174.62 175.20 2fe4 s VAL 62 N -0.80 -0.06 -0.18 2.29 -7.23 -0.60 -4.97 120.40 108.85 2fe4 s VAL 62 Ca 0.11 0.22 -0.15 0.00 -1.81 0.00 0.00 61.98 60.35 2fe4 s VAL 62 Cb -0.10 -0.09 -0.04 0.00 0.56 0.00 0.00 36.38 36.71 2fe4 s VAL 62 CO 0.02 0.09 0.36 0.00 -0.31 0.00 0.00 175.10 175.26 2fe4 s ARG 63 N 1.09 4.22 0.11 4.82 3.03 -1.26 -1.29 118.95 129.67 2fe4 s ARG 63 Ca -0.09 0.17 0.02 0.00 2.03 0.00 0.00 55.73 57.86 2fe4 s ARG 63 Cb -0.13 -3.49 -0.04 0.00 -1.03 0.00 0.00 34.95 30.27 2fe4 s ARG 63 CO -0.03 0.09 0.21 -0.51 -1.13 0.00 0.00 175.30 173.93 2fe4 s LEU 64 N 0.92 4.22 -0.22 -1.89 1.43 0.20 -4.62 118.68 118.72 2fe4 s LEU 64 Ca 0.18 0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.45 2fe4 s LEU 64 Cb -0.14 -2.82 0.04 0.00 0.03 0.00 0.00 46.19 43.31 2fe4 s LEU 64 CO 0.07 0.11 -0.14 -1.58 0.23 0.00 0.00 176.35 175.03 2fe4 s GLN 65 N -2.86 2.49 -0.24 1.70 0.74 -0.73 -1.54 119.66 119.22 2fe4 s GLN 65 Ca 0.34 -1.04 -0.09 0.00 0.05 0.00 0.00 55.36 54.61 2fe4 s GLN 65 Cb -0.12 -2.66 -0.04 0.00 1.10 0.00 0.00 33.01 31.29 2fe4 s GLN 65 CO 0.27 -0.40 0.13 -0.51 -0.55 0.00 0.00 175.29 174.23 2fe4 s LEU 66 N 1.24 3.87 -0.19 3.68 1.43 0.23 -0.36 118.68 128.57 2fe4 s LEU 66 Ca -0.02 -0.00 -0.04 0.00 -1.03 0.00 0.00 54.13 53.04 2fe4 s LEU 66 Cb -0.16 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 2fe4 s LEU 66 CO -0.09 0.03 -0.03 0.26 0.23 0.00 0.00 176.35 176.75 2fe4 s TRP 67 N 1.24 2.99 -0.22 0.29 0.52 0.14 -0.91 118.94 122.99 2fe4 s TRP 67 Ca 0.06 -0.55 -0.09 0.00 0.02 0.00 0.00 56.10 55.55 2fe4 s TRP 67 Cb -0.14 -2.04 -0.04 0.00 -1.15 0.00 0.00 33.47 30.10 2fe4 s TRP 67 CO 0.05 -0.26 0.11 0.34 0.02 0.00 0.00 176.95 177.21 2fe4 s ASP 68 N 0.91 5.73 0.38 2.95 3.68 -1.24 -0.76 116.67 128.33 2fe4 s ASP 68 Ca -0.00 0.03 0.07 0.00 2.13 0.00 0.00 52.55 54.78 2fe4 s ASP 68 Cb -0.14 -2.02 -0.07 0.00 -1.45 0.00 0.00 42.92 39.24 2fe4 s ASP 68 CO 0.01 0.09 0.01 0.42 0.13 0.00 0.00 175.17 175.83 2fe4 s THR 69 N 0.91 1.85 -0.29 1.71 -4.23 -1.22 -4.87 115.64 109.50 2fe4 s THR 69 Ca 0.05 -2.02 -0.16 0.00 -1.18 0.00 0.00 61.69 58.38 2fe4 s THR 69 Cb -0.13 -2.91 -0.03 0.00 1.34 0.00 0.00 72.50 70.77 2fe4 s THR 69 CO 0.03 -0.03 0.41 0.00 -0.54 0.00 0.00 174.62 174.49 2fe4 s ALA 70 N -2.83 3.55 0.02 3.99 0.00 -1.17 -4.85 121.76 120.46 2fe4 s ALA 70 Ca 0.35 -0.88 -0.04 0.00 0.00 0.00 0.00 51.96 51.39 2fe4 s ALA 70 Cb 0.09 -2.79 -0.28 0.00 0.00 0.00 0.00 23.12 20.14 2fe4 s ALA 70 CO 0.17 -0.80 0.91 0.78 0.00 0.00 0.00 175.76 176.82 2fe4 h GLY 71 N 8.71 0.31 -5.64 0.00 0.00 -1.83 -3.43 103.07 101.19 2fe4 h GLY 71 Ca -0.31 -0.79 -0.59 0.00 0.00 0.00 0.00 47.33 45.64 2fe4 h GLY 71 CO 0.68 0.69 0.48 1.20 0.00 0.00 0.00 176.54 179.59 2fe4 s GLN 72 N -2.62 4.21 -0.36 4.80 -0.21 -1.26 -4.51 119.66 119.71 2fe4 s GLN 72 Ca -0.08 0.99 -0.32 0.00 0.02 0.00 0.00 55.36 55.97 2fe4 s GLN 72 Cb 0.07 -3.63 -0.14 0.00 1.00 0.00 0.00 33.01 30.31 2fe4 s GLN 72 CO 0.86 -0.49 1.42 0.39 -2.12 0.00 0.00 175.29 175.36 2fe4 n GLU 73 N 5.87 0.00 0.00 2.91 1.02 -1.26 -4.00 120.64 125.18 2fe4 n GLU 73 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 2fe4 n GLU 73 Cb 0.48 -1.07 0.00 0.00 -0.02 0.00 0.00 31.44 30.82 2fe4 n GLU 73 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2fe4 n ARG 74 N 4.65 0.00 -0.59 3.49 1.85 -1.26 -4.97 116.66 119.82 2fe4 n ARG 74 Ca 0.34 0.00 0.03 0.00 -1.00 0.00 0.00 57.85 57.23 2fe4 n ARG 74 Cb -0.03 0.00 0.20 0.00 -1.05 0.00 0.00 32.46 31.58 2fe4 n ARG 74 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2fe4 n PHE 75 N 0.00 0.38 0.82 2.89 3.01 -1.26 -4.57 117.46 118.73 2fe4 n PHE 75 Ca 0.00 -1.44 0.09 0.00 1.01 0.00 0.00 57.45 57.11 2fe4 n PHE 75 Cb 0.00 -0.32 -0.01 0.00 -0.01 0.00 0.00 39.48 39.15 2fe4 n PHE 75 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2fe4 n ARG 76 N -1.13 1.49 0.27 -1.08 1.74 -1.26 -4.32 116.66 112.36 2fe4 n ARG 76 Ca 0.23 -0.82 0.13 0.00 -0.77 0.00 0.00 57.85 56.62 2fe4 n ARG 76 Cb 0.80 -1.35 0.74 0.00 -1.02 0.00 0.00 32.46 31.63 2fe4 n ARG 76 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2fe4 h SER 77 N 1.90 0.00 0.00 0.55 0.87 -1.98 -3.26 113.55 111.64 2fe4 h SER 77 Ca 0.00 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.28 2fe4 h SER 77 Cb 0.61 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.52 2fe4 h SER 77 CO 0.00 0.11 -2.05 -0.11 -0.53 0.00 0.00 176.83 174.25 2fe4 n LEU 78 N -3.56 1.57 -0.29 2.23 7.94 -1.26 -4.66 117.00 118.96 2fe4 n LEU 78 Ca -0.02 -0.05 0.24 0.00 -1.11 0.00 0.00 56.01 55.07 2fe4 n LEU 78 Cb 0.24 -0.17 0.45 0.00 0.53 0.00 0.00 43.42 44.47 2fe4 n LEU 78 CO 0.29 0.60 0.87 -0.38 -1.11 0.00 0.00 177.39 177.67 2fe4 n ILE 79 N -2.81 -0.37 -0.34 1.96 2.08 -1.23 -2.07 119.36 116.58 2fe4 n ILE 79 Ca -0.29 1.84 0.07 0.00 0.56 0.00 0.00 62.75 64.93 2fe4 n ILE 79 Cb 0.92 -2.90 0.16 0.00 -0.75 0.00 0.00 39.64 37.06 2fe4 n ILE 79 CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 2fe4 h PRO 80 N 0.00 0.00 -0.13 0.38 0.11 -1.83 -0.91 132.00 129.62 2fe4 h PRO 80 Ca 0.69 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.82 2fe4 h PRO 80 Cb 1.74 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.83 2fe4 h PRO 80 CO -0.72 0.00 -0.01 0.77 -0.21 0.00 0.00 178.00 177.83 2fe4 h SER 81 N 0.00 -0.06 -0.93 -2.05 0.02 -1.78 -1.22 113.55 107.54 2fe4 h SER 81 Ca 0.48 0.03 0.14 0.00 -0.84 0.00 0.00 61.79 61.60 2fe4 h SER 81 Cb 0.79 0.05 -0.08 0.00 0.14 0.00 0.00 62.40 63.31 2fe4 h SER 81 CO -0.97 -0.01 0.59 1.88 -1.14 0.00 0.00 176.83 177.19 2fe4 h TYR 82 N 0.04 0.92 -0.48 3.45 0.05 -1.35 -0.46 116.97 119.13 2fe4 h TYR 82 Ca 0.06 0.03 -0.11 0.00 0.05 0.00 0.00 58.73 58.76 2fe4 h TYR 82 Cb 0.07 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.51 2fe4 h TYR 82 CO -0.15 0.33 -0.12 0.82 -1.05 0.00 0.00 178.16 177.99 2fe4 h ILE 83 N 0.77 1.27 -0.82 -2.88 2.04 -0.85 -3.28 117.51 113.76 2fe4 h ILE 83 Ca 0.47 -1.26 0.06 0.00 1.00 0.00 0.00 64.86 65.13 2fe4 h ILE 83 Cb 0.68 1.08 -0.06 0.00 -0.74 0.00 0.00 36.82 37.79 2fe4 h ILE 83 CO -0.23 0.44 0.50 -0.09 0.00 0.00 0.00 178.15 178.77 2fe4 h ARG 84 N 0.79 0.90 -1.68 2.37 1.12 0.10 -2.98 114.38 114.99 2fe4 h ARG 84 Ca 0.12 -0.05 -0.66 0.00 -1.11 0.00 0.00 59.98 58.27 2fe4 h ARG 84 Cb 0.68 -0.20 -0.36 0.00 -0.01 0.00 0.00 29.97 30.08 2fe4 h ARG 84 CO 0.05 0.60 0.03 -0.25 -3.11 0.00 0.00 179.97 177.29 2fe4 n ASP 85 N -4.64 5.93 -4.26 -3.80 8.00 -1.14 -4.86 116.55 111.78 2fe4 n ASP 85 Ca 0.11 -3.77 -0.29 0.00 0.71 0.00 0.00 54.79 51.55 2fe4 n ASP 85 Cb 0.17 -0.72 -0.16 0.00 -0.02 0.00 0.00 41.12 40.39 2fe4 n ASP 85 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2fe4 s SER 86 N -2.51 2.71 0.24 -2.24 0.15 -1.13 -4.96 113.70 105.96 2fe4 s SER 86 Ca 0.50 -0.42 0.23 0.00 0.70 0.00 0.00 55.95 56.96 2fe4 s SER 86 Cb 0.42 -0.35 0.15 0.00 -1.71 0.00 0.00 66.02 64.52 2fe4 s SER 86 CO -0.27 0.28 1.22 0.71 1.20 0.00 0.00 173.24 176.37 2fe4 h THR 87 N 4.63 0.00 -3.44 6.45 1.35 -1.54 -3.46 112.91 116.89 2fe4 h THR 87 Ca -0.40 -0.90 -0.29 0.00 -0.55 0.00 0.00 66.41 64.28 2fe4 h THR 87 Cb 1.13 1.52 -0.33 0.00 -1.73 0.00 0.00 68.15 68.75 2fe4 h THR 87 CO 0.47 0.00 -0.69 -0.69 -0.25 0.00 0.00 175.52 174.36 2fe4 s VAL 88 N -3.29 -0.06 -0.21 6.82 1.01 -0.26 -3.18 120.40 121.23 2fe4 s VAL 88 Ca 0.02 0.21 -0.04 0.00 0.00 0.00 0.00 61.98 62.18 2fe4 s VAL 88 Cb 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 36.38 36.34 2fe4 s VAL 88 CO 0.75 0.09 -0.05 0.00 0.00 0.00 0.00 175.10 175.89 2fe4 s ALA 89 N 1.12 2.83 -0.39 5.51 0.00 -0.45 -0.72 121.76 129.65 2fe4 s ALA 89 Ca -0.09 -1.10 -0.11 0.00 0.00 0.00 0.00 51.96 50.66 2fe4 s ALA 89 Cb -0.13 -1.65 0.04 0.00 0.00 0.00 0.00 23.12 21.38 2fe4 s ALA 89 CO -0.04 -0.30 0.23 0.08 0.00 0.00 0.00 175.76 175.74 2fe4 s VAL 90 N 1.25 4.56 -0.40 0.00 1.01 0.86 -1.36 120.40 126.33 2fe4 s VAL 90 Ca 0.03 -1.00 -0.16 0.00 0.00 0.00 0.00 61.98 60.85 2fe4 s VAL 90 Cb -0.14 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.63 2fe4 s VAL 90 CO -0.01 -0.33 0.40 -0.69 0.00 0.00 0.00 175.10 174.47 2fe4 s VAL 91 N 1.53 5.13 -0.06 2.92 1.01 -0.21 -0.05 120.40 130.68 2fe4 s VAL 91 Ca 0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 2fe4 s VAL 91 Cb -0.20 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 2fe4 s VAL 91 CO 0.06 -0.33 0.01 -0.69 0.00 0.00 0.00 175.10 174.15 2fe4 s VAL 92 N 2.05 4.30 0.29 2.92 1.01 0.98 -0.31 120.40 131.65 2fe4 s VAL 92 Ca 0.11 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.76 2fe4 s VAL 92 Cb -0.17 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 2fe4 s VAL 92 CO 0.13 0.52 0.13 -0.72 0.00 0.00 0.00 175.10 175.16 2fe4 s TYR 93 N -0.97 1.58 -0.26 5.22 1.13 -0.33 -4.09 117.35 119.63 2fe4 s TYR 93 Ca 0.16 -1.28 -0.04 0.00 -1.41 0.00 0.00 57.07 54.49 2fe4 s TYR 93 Cb -0.11 -0.89 0.01 0.00 -1.10 0.00 0.00 41.96 39.87 2fe4 s TYR 93 CO 0.05 -0.43 0.01 0.34 -2.51 0.00 0.00 175.55 173.01 2fe4 s ASP 94 N -3.36 4.69 0.30 -0.18 3.68 -1.26 -1.46 116.67 119.08 2fe4 s ASP 94 Ca 0.36 -0.71 0.14 0.00 2.13 0.00 0.00 52.55 54.48 2fe4 s ASP 94 Cb 0.06 -1.78 0.79 0.00 -1.45 0.00 0.00 42.92 40.54 2fe4 s ASP 94 CO 0.16 -0.14 1.36 2.30 0.13 0.00 0.00 175.17 178.98 2fe4 n ILE 95 N 4.78 0.79 0.68 4.11 -6.64 -0.89 0.31 119.36 122.50 2fe4 n ILE 95 Ca -0.16 0.72 0.10 0.00 -1.77 0.00 0.00 62.75 61.65 2fe4 n ILE 95 Cb 0.48 -1.72 0.11 0.00 -1.44 0.00 0.00 39.64 37.06 2fe4 n ILE 95 CO 0.00 0.00 0.00 0.35 -1.77 0.00 0.00 176.55 175.13 2fe4 n THR 96 N -2.06 0.13 -3.96 7.28 -2.24 -1.26 0.38 114.28 112.55 2fe4 n THR 96 Ca -0.01 -0.56 -0.31 0.00 -2.27 0.00 0.00 64.05 60.90 2fe4 n THR 96 Cb 0.23 1.30 -0.15 0.00 -2.10 0.00 0.00 70.33 69.61 2fe4 n THR 96 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2fe4 s ASN 97 N -1.57 4.58 0.25 3.42 3.84 0.15 -4.64 114.94 120.97 2fe4 s ASN 97 Ca 0.25 -2.00 -0.04 0.00 0.21 0.00 0.00 52.86 51.29 2fe4 s ASN 97 Cb 0.17 -1.46 0.42 0.00 -0.55 0.00 0.00 41.25 39.84 2fe4 s ASN 97 CO 0.25 -0.38 1.80 0.25 -2.79 0.00 0.00 177.10 176.24 2fe4 h LEU 98 N 7.72 0.66 -1.21 3.21 7.12 -1.88 -1.87 115.31 129.07 2fe4 h LEU 98 Ca -0.07 0.05 -0.02 0.00 0.13 0.00 0.00 57.88 57.97 2fe4 h LEU 98 Cb 1.02 -0.07 -0.03 0.00 -0.53 0.00 0.00 40.66 41.05 2fe4 h LEU 98 CO 0.51 0.36 0.27 -1.13 -0.13 0.00 0.00 178.44 178.32 2fe4 h ASN 99 N 0.77 0.74 0.15 1.25 -0.73 -1.94 -2.07 115.58 113.76 2fe4 h ASN 99 Ca 0.41 -0.08 -0.07 0.00 1.87 0.00 0.00 56.30 58.44 2fe4 h ASN 99 Cb 0.41 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.80 2fe4 h ASN 99 CO -0.27 0.64 -0.25 0.77 -0.37 0.00 0.00 177.43 177.95 2fe4 h SER 100 N 0.82 0.17 0.09 1.15 4.64 -1.66 -1.77 113.55 116.98 2fe4 h SER 100 Ca 0.20 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2fe4 h SER 100 Cb 0.10 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2fe4 h SER 100 CO -0.03 0.43 -0.04 0.15 -0.87 0.00 0.00 176.83 176.47 2fe4 h PHE 101 N 0.16 -0.11 -0.92 4.77 3.57 -1.23 -3.27 116.94 119.91 2fe4 h PHE 101 Ca 0.03 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.62 2fe4 h PHE 101 Cb 0.53 0.04 -0.08 0.00 2.79 0.00 0.00 35.95 39.23 2fe4 h PHE 101 CO 0.01 0.43 0.56 1.96 -2.23 0.00 0.00 178.31 179.03 2fe4 h GLN 102 N -0.80 0.90 0.00 1.11 4.20 -1.33 -0.76 115.11 118.43 2fe4 h GLN 102 Ca -0.01 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.64 2fe4 h GLN 102 Cb 0.59 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.16 2fe4 h GLN 102 CO 0.02 0.60 0.00 1.04 -0.67 0.00 0.00 178.83 179.82 2fe4 n GLN 103 N -4.66 0.05 0.24 1.46 6.02 -0.67 -2.33 117.38 117.49 2fe4 n GLN 103 Ca 0.16 0.29 0.12 0.00 -0.01 0.00 0.00 57.00 57.56 2fe4 n GLN 103 Cb 0.29 -1.50 0.53 0.00 1.02 0.00 0.00 30.24 30.59 2fe4 n GLN 103 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 2fe4 h THR 104 N 0.00 0.44 -0.42 5.09 1.35 -1.18 -2.56 112.91 115.63 2fe4 h THR 104 Ca 0.00 -0.93 -0.06 0.00 -0.55 0.00 0.00 66.41 64.87 2fe4 h THR 104 Cb 0.07 1.67 -0.02 0.00 -1.73 0.00 0.00 68.15 68.14 2fe4 h THR 104 CO 0.00 0.16 0.04 0.28 -0.25 0.00 0.00 175.52 175.75 2fe4 h SER 105 N 0.00 0.70 -0.11 5.36 0.02 -1.65 0.22 113.55 118.08 2fe4 h SER 105 Ca -0.00 -0.28 0.02 0.00 -0.84 0.00 0.00 61.79 60.69 2fe4 h SER 105 Cb 0.66 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 2fe4 h SER 105 CO 0.02 0.80 -0.02 0.50 -1.14 0.00 0.00 176.83 177.00 2fe4 h LYS 106 N 0.56 0.02 -0.67 3.45 3.64 -1.66 0.22 116.57 122.13 2fe4 h LYS 106 Ca 0.12 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.42 2fe4 h LYS 106 Cb 0.42 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 2fe4 h LYS 106 CO 0.01 0.01 0.10 -1.49 -2.27 0.00 0.00 179.45 175.81 2fe4 h TRP 107 N 0.02 1.19 -0.39 1.91 4.06 -1.34 -1.04 115.95 120.35 2fe4 h TRP 107 Ca 0.05 -0.17 -0.07 0.00 2.06 0.00 0.00 58.89 60.76 2fe4 h TRP 107 Cb 0.07 -0.32 -0.01 0.00 -1.00 0.00 0.00 29.16 27.90 2fe4 h TRP 107 CO -0.15 1.00 -0.04 0.82 -3.56 0.00 0.00 178.44 176.51 2fe4 h ILE 108 N 1.04 1.27 -0.44 1.49 2.04 -0.73 -1.78 117.51 120.39 2fe4 h ILE 108 Ca 0.20 -1.09 0.07 0.00 1.00 0.00 0.00 64.86 65.05 2fe4 h ILE 108 Cb 0.46 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.67 2fe4 h ILE 108 CO 0.02 0.36 0.09 -0.78 0.00 0.00 0.00 178.15 177.84 2fe4 h ASP 109 N 0.53 0.00 -0.31 1.72 3.58 -0.29 -2.20 116.42 119.46 2fe4 h ASP 109 Ca 0.10 0.08 0.05 0.00 0.42 0.00 0.00 57.03 57.69 2fe4 h ASP 109 Cb 0.54 0.11 -0.05 0.00 1.72 0.00 0.00 39.33 41.65 2fe4 h ASP 109 CO 0.03 0.03 -0.00 0.44 -2.88 0.00 0.00 179.24 176.86 2fe4 h ASP 110 N 0.22 -0.13 0.45 2.28 3.32 -0.86 -1.77 116.42 119.94 2fe4 h ASP 110 Ca 0.22 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 2fe4 h ASP 110 Cb 0.28 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 2fe4 h ASP 110 CO -0.29 -0.03 -0.45 0.58 -1.72 0.00 0.00 179.24 177.33 2fe4 h VAL 111 N 0.09 0.11 -0.37 -1.35 2.07 -0.71 -1.37 116.25 114.71 2fe4 h VAL 111 Ca 0.15 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.67 2fe4 h VAL 111 Cb 0.20 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 2fe4 h VAL 111 CO -0.25 0.00 0.25 0.03 0.02 0.00 0.00 177.57 177.61 2fe4 h ARG 112 N -0.91 0.48 -0.35 1.57 3.08 -1.43 -2.30 114.38 114.53 2fe4 h ARG 112 Ca -0.05 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 59.84 2fe4 h ARG 112 Cb 0.80 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 2fe4 h ARG 112 CO -0.06 0.32 -0.31 1.15 -1.07 0.00 0.00 179.97 179.99 2fe4 h THR 113 N 0.50 1.29 -2.02 2.04 2.02 -1.11 0.34 112.91 115.96 2fe4 h THR 113 Ca 0.14 -1.48 -0.66 0.00 0.77 0.00 0.00 66.41 65.18 2fe4 h THR 113 Cb -0.05 1.45 -0.37 0.00 -1.74 0.00 0.00 68.15 67.44 2fe4 h THR 113 CO -0.03 0.49 -0.10 -0.62 0.37 0.00 0.00 175.52 175.63 2fe4 n GLU 114 N -4.17 3.65 0.00 6.66 1.02 -0.54 -4.55 120.64 122.71 2fe4 n GLU 114 Ca -0.03 -4.53 0.00 0.00 -0.02 0.00 0.00 57.16 52.58 2fe4 n GLU 114 Cb 0.50 -2.29 0.00 0.00 -0.02 0.00 0.00 31.44 29.63 2fe4 n GLU 114 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2fe4 n ARG 115 N -0.32 0.00 0.00 3.49 5.12 -0.89 -3.45 116.66 120.61 2fe4 n ARG 115 Ca 0.40 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.32 2fe4 n ARG 115 Cb 0.42 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.72 2fe4 n ARG 115 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2fe4 n GLY 116 N 0.00 0.57 0.00 -0.13 0.00 0.12 -3.76 105.19 101.99 2fe4 n GLY 116 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.14 2fe4 n GLY 116 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2fe4 n SER 117 N 3.83 1.07 -3.56 1.61 7.64 -1.26 -4.40 113.62 118.54 2fe4 n SER 117 Ca 0.00 -1.43 -0.41 0.00 1.01 0.00 0.00 58.87 58.04 2fe4 n SER 117 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2fe4 n SER 117 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2fe4 n ASP 118 N -0.22 7.38 -3.48 6.43 2.03 -1.25 -4.84 116.55 122.61 2fe4 n ASP 118 Ca 0.00 -3.11 -0.13 0.00 0.52 0.00 0.00 54.79 52.07 2fe4 n ASP 118 Cb 0.26 -1.40 -0.04 0.00 -0.72 0.00 0.00 41.12 39.23 2fe4 n ASP 118 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2fe4 s VAL 119 N -0.62 0.00 -0.15 5.18 0.11 -1.26 -5.02 120.40 118.64 2fe4 s VAL 119 Ca 0.51 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.53 2fe4 s VAL 119 Cb 0.16 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.99 2fe4 s VAL 119 CO -0.07 0.00 -0.04 -0.63 -3.33 0.00 0.00 175.10 171.03 2fe4 s ILE 120 N -2.55 3.85 -0.10 7.04 1.01 -1.19 -5.05 121.20 124.20 2fe4 s ILE 120 Ca -0.03 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.28 2fe4 s ILE 120 Cb -0.01 -2.68 0.00 0.00 0.01 0.00 0.00 42.46 39.79 2fe4 s ILE 120 CO -0.03 0.50 -0.22 -0.63 0.00 0.00 0.00 174.94 174.55 2fe4 s ILE 121 N 0.33 1.95 -0.21 2.92 1.01 -1.26 -1.34 121.20 124.61 2fe4 s ILE 121 Ca -0.04 -0.95 -0.00 0.00 0.00 0.00 0.00 60.65 59.65 2fe4 s ILE 121 Cb -0.14 -1.70 0.02 0.00 0.01 0.00 0.00 42.46 40.65 2fe4 s ILE 121 CO 0.03 0.53 -0.14 -0.32 0.00 0.00 0.00 174.94 175.05 2fe4 s MET 122 N 0.45 2.99 -0.11 2.79 -2.45 -0.47 -0.45 119.30 122.05 2fe4 s MET 122 Ca -0.17 -0.85 -0.21 0.00 -1.25 0.00 0.00 55.69 53.21 2fe4 s MET 122 Cb -0.17 -2.76 -0.04 0.00 1.25 0.00 0.00 34.83 33.11 2fe4 s MET 122 CO 0.07 -0.27 0.60 -1.17 1.05 0.00 0.00 175.02 175.30 2fe4 s LEU 123 N 1.32 4.27 -0.15 4.11 2.96 0.18 -1.05 118.68 130.32 2fe4 s LEU 123 Ca 0.03 0.98 0.01 0.00 -0.22 0.00 0.00 54.13 54.93 2fe4 s LEU 123 Cb -0.14 -2.90 0.02 0.00 0.50 0.00 0.00 46.19 43.67 2fe4 s LEU 123 CO -0.09 -0.10 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.99 2fe4 s VAL 124 N 0.93 1.70 -0.59 1.68 1.01 0.58 -1.89 120.40 123.81 2fe4 s VAL 124 Ca 0.32 -0.72 -0.19 0.00 0.00 0.00 0.00 61.98 61.39 2fe4 s VAL 124 Cb -0.16 -1.57 0.10 0.00 0.00 0.00 0.00 36.38 34.75 2fe4 s VAL 124 CO 0.14 0.48 0.71 -0.83 0.00 0.00 0.00 175.10 175.60 2fe4 s GLY 125 N 1.39 1.76 0.50 4.51 0.00 -0.55 -1.18 107.32 113.75 2fe4 s GLY 125 Ca 0.04 -2.21 -0.01 0.00 0.00 0.00 0.00 44.72 42.54 2fe4 s GLY 125 CO -0.10 1.59 0.74 0.21 0.00 0.00 0.00 173.10 175.54 2fe4 s ASN 126 N 3.62 5.63 -0.56 1.64 2.47 -0.54 -0.23 114.94 126.97 2fe4 s ASN 126 Ca 0.12 0.28 -0.01 0.00 0.42 0.00 0.00 52.86 53.67 2fe4 s ASN 126 Cb -0.24 -1.39 0.00 0.00 -1.45 0.00 0.00 41.25 38.17 2fe4 s ASN 126 CO 0.06 -0.89 0.14 0.29 -3.72 0.00 0.00 177.10 172.98 2fe4 n LYS 127 N -2.24 -1.29 0.32 0.43 5.02 -0.70 -2.10 118.16 117.60 2fe4 n LYS 127 Ca 0.04 0.33 0.20 0.00 -2.02 0.00 0.00 58.31 56.85 2fe4 n LYS 127 Cb 0.58 -4.05 1.08 0.00 -0.02 0.00 0.00 35.03 32.62 2fe4 n LYS 127 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2fe4 h THR 128 N -0.31 0.00 0.00 -0.18 1.35 -1.46 -1.54 112.91 110.77 2fe4 h THR 128 Ca -0.18 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.64 2fe4 h THR 128 Cb 1.13 0.87 -0.01 0.00 -1.73 0.00 0.00 68.15 68.41 2fe4 h THR 128 CO 0.20 0.00 -0.19 -2.24 -0.25 0.00 0.00 175.52 173.04 2fe4 h ASP 129 N 0.00 0.00 -0.75 5.36 2.03 -1.92 -3.24 116.42 117.91 2fe4 h ASP 129 Ca 0.00 0.00 -0.72 0.00 -0.73 0.00 0.00 57.03 55.58 2fe4 h ASP 129 Cb 0.13 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 38.56 2fe4 h ASP 129 CO 0.00 0.19 2.92 0.18 -1.03 0.00 0.00 179.24 181.50 2fe4 n LEU 130 N -3.71 8.26 -0.34 0.15 4.32 -0.58 -4.76 117.00 120.33 2fe4 n LEU 130 Ca -0.01 -4.69 -0.03 0.00 -0.02 0.00 0.00 56.01 51.25 2fe4 n LEU 130 Cb 0.31 -1.44 0.11 0.00 -1.62 0.00 0.00 43.42 40.78 2fe4 n LEU 130 CO 0.33 2.04 1.23 0.00 -1.22 0.00 0.00 177.39 179.76 2fe4 h ALA 131 N 4.79 1.24 0.00 -1.18 0.00 -1.81 -2.70 119.26 119.60 2fe4 h ALA 131 Ca 0.75 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.56 2fe4 h ALA 131 Cb 0.31 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2fe4 h ALA 131 CO 1.60 0.66 0.00 -3.47 0.00 0.00 0.00 179.25 178.03 2fe4 n ASP 132 N -4.36 0.00 -0.20 0.00 2.03 -1.26 -2.23 116.55 110.54 2fe4 n ASP 132 Ca 0.10 -0.04 0.02 0.00 0.52 0.00 0.00 54.79 55.40 2fe4 n ASP 132 Cb 0.06 -0.25 0.04 0.00 -0.72 0.00 0.00 41.12 40.24 2fe4 n ASP 132 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2fe4 n LYS 133 N -1.25 1.39 -1.67 -0.67 4.76 -1.03 -5.05 118.16 114.64 2fe4 n LYS 133 Ca 0.09 -1.26 -0.45 0.00 -2.87 0.00 0.00 58.31 53.83 2fe4 n LYS 133 Cb 0.13 -1.09 -0.03 0.00 -1.84 0.00 0.00 35.03 32.21 2fe4 n LYS 133 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 2fe4 n ARG 134 N 0.03 2.06 -0.00 1.97 0.63 -0.95 -4.37 116.66 116.03 2fe4 n ARG 134 Ca 0.03 0.73 0.01 0.00 -0.92 0.00 0.00 57.85 57.71 2fe4 n ARG 134 Cb 0.21 -2.40 -0.02 0.00 0.45 0.00 0.00 32.46 30.71 2fe4 n ARG 134 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2fe4 n GLN 135 N 2.04 0.51 -4.03 -0.14 1.13 0.16 -4.92 117.38 112.12 2fe4 n GLN 135 Ca 0.11 -0.02 -0.31 0.00 -1.94 0.00 0.00 57.00 54.85 2fe4 n GLN 135 Cb 0.32 -1.06 -0.16 0.00 0.11 0.00 0.00 30.24 29.45 2fe4 n GLN 135 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2fe4 s ILE 136 N -2.15 1.70 0.92 5.09 1.01 -0.78 -4.96 121.20 122.03 2fe4 s ILE 136 Ca -0.01 -0.83 -0.11 0.00 0.00 0.00 0.00 60.65 59.70 2fe4 s ILE 136 Cb 0.01 -1.64 0.14 0.00 0.01 0.00 0.00 42.46 40.99 2fe4 s ILE 136 CO 0.10 0.37 1.09 0.42 0.00 0.00 0.00 174.94 176.92 2fe4 s THR 137 N 1.41 2.55 0.24 2.92 -4.23 -1.26 -4.91 115.64 112.37 2fe4 s THR 137 Ca 0.03 0.18 0.02 0.00 -1.18 0.00 0.00 61.69 60.74 2fe4 s THR 137 Cb -0.14 -2.56 -0.01 0.00 1.34 0.00 0.00 72.50 71.13 2fe4 s THR 137 CO -0.10 -0.23 1.61 -0.29 -0.54 0.00 0.00 174.62 175.06 2fe4 h ILE 138 N -1.69 1.33 -0.66 2.99 2.10 -2.00 -2.88 117.51 116.70 2fe4 h ILE 138 Ca -0.50 -1.69 -0.03 0.00 1.08 0.00 0.00 64.86 63.72 2fe4 h ILE 138 Cb 1.28 1.74 -0.03 0.00 -1.09 0.00 0.00 36.82 38.73 2fe4 h ILE 138 CO 0.52 0.51 0.30 -0.33 -1.08 0.00 0.00 178.15 178.07 2fe4 h GLU 139 N 0.30 0.97 -0.32 2.19 3.07 -1.99 -0.90 114.58 117.90 2fe4 h GLU 139 Ca 0.02 -0.16 -0.05 0.00 -0.50 0.00 0.00 59.36 58.67 2fe4 h GLU 139 Cb 0.96 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.68 2fe4 h GLU 139 CO 0.08 0.79 -0.01 0.93 -1.40 0.00 0.00 179.01 179.40 2fe4 h GLU 140 N 0.92 0.49 -0.07 2.33 5.08 -1.90 0.21 114.58 121.63 2fe4 h GLU 140 Ca 0.22 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 2fe4 h GLU 140 Cb 0.16 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2fe4 h GLU 140 CO -0.02 0.52 -0.13 0.78 -1.00 0.00 0.00 179.01 179.16 2fe4 h GLY 141 N 0.81 0.23 1.02 -3.84 0.00 -1.25 -2.05 103.07 98.00 2fe4 h GLY 141 Ca 0.10 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 2fe4 h GLY 141 CO 0.01 0.25 0.57 0.83 0.00 0.00 0.00 176.54 178.19 2fe4 h GLU 142 N -0.26 1.28 -0.44 4.80 5.08 -0.89 -0.94 114.58 123.20 2fe4 h GLU 142 Ca 0.00 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 2fe4 h GLU 142 Cb 0.70 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2fe4 h GLU 142 CO 0.03 0.89 0.02 0.37 -1.00 0.00 0.00 179.01 179.32 2fe4 h GLN 143 N 1.30 0.77 -0.57 2.33 5.75 -0.62 -1.52 115.11 122.54 2fe4 h GLN 143 Ca 0.34 -0.23 -0.08 0.00 -0.15 0.00 0.00 58.65 58.52 2fe4 h GLN 143 Cb -0.06 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.40 2fe4 h GLN 143 CO -0.06 0.82 0.03 -0.09 -2.65 0.00 0.00 178.83 176.88 2fe4 h ARG 144 N 0.61 0.96 -0.51 1.69 9.65 -0.97 -1.63 114.38 124.18 2fe4 h ARG 144 Ca 0.13 -0.27 -0.09 0.00 -1.10 0.00 0.00 59.98 58.65 2fe4 h ARG 144 Cb 0.46 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.92 2fe4 h ARG 144 CO 0.02 0.92 -0.04 0.00 2.80 0.00 0.00 179.97 183.67 2fe4 h ALA 145 N 1.14 0.69 -0.31 2.80 0.00 -1.03 -2.31 119.26 120.25 2fe4 h ALA 145 Ca 0.17 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 2fe4 h ALA 145 Cb 0.47 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2fe4 h ALA 145 CO 0.02 0.55 -0.26 -0.22 0.00 0.00 0.00 179.25 179.33 2fe4 h LYS 146 N 0.80 0.62 -0.19 0.00 3.64 -1.11 0.35 116.57 120.67 2fe4 h LYS 146 Ca 0.14 -0.25 -0.10 0.00 -1.27 0.00 0.00 60.65 59.17 2fe4 h LYS 146 Cb 0.58 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 2fe4 h LYS 146 CO 0.03 0.82 -0.30 0.93 -2.27 0.00 0.00 179.45 178.66 2fe4 h GLU 147 N 0.54 0.37 -0.41 1.90 5.08 -1.14 -2.54 114.58 118.38 2fe4 h GLU 147 Ca 0.07 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2fe4 h GLU 147 Cb 0.73 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2fe4 h GLU 147 CO 0.06 0.64 0.00 1.28 -1.00 0.00 0.00 179.01 179.99 2fe4 n LEU 148 N -4.10 2.89 -3.53 1.33 4.77 -0.88 -4.96 117.00 112.51 2fe4 n LEU 148 Ca -0.01 -1.32 -0.25 0.00 -0.03 0.00 0.00 56.01 54.40 2fe4 n LEU 148 Cb 0.42 -0.27 0.06 0.00 -2.33 0.00 0.00 43.42 41.30 2fe4 n LEU 148 CO 0.42 0.66 0.16 -1.20 -1.33 0.00 0.00 177.39 176.10 2fe4 n SER 149 N 1.10 -5.95 -4.59 -1.43 7.64 -0.51 -5.01 113.62 104.87 2fe4 n SER 149 Ca 0.19 -0.53 -0.27 0.00 1.01 0.00 0.00 58.87 59.27 2fe4 n SER 149 Cb 0.49 -4.72 -0.11 0.00 -1.01 0.00 0.00 64.21 58.87 2fe4 n SER 149 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2fe4 s VAL 150 N -3.27 1.85 0.63 0.44 -7.23 -0.00 -4.94 120.40 107.87 2fe4 s VAL 150 Ca 0.54 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.61 2fe4 s VAL 150 Cb -0.25 -2.95 -0.02 0.00 0.56 0.00 0.00 36.38 33.73 2fe4 s VAL 150 CO 0.67 0.00 1.01 -0.04 -0.31 0.00 0.00 175.10 176.43 2fe4 s MET 151 N -3.74 3.28 -0.02 4.82 -1.94 0.40 -4.29 119.30 117.81 2fe4 s MET 151 Ca 0.35 0.51 -0.06 0.00 -1.71 0.00 0.00 55.69 54.77 2fe4 s MET 151 Cb 0.10 -2.11 0.01 0.00 2.01 0.00 0.00 34.83 34.83 2fe4 s MET 151 CO 0.17 -0.70 0.14 0.12 -0.01 0.00 0.00 175.02 174.75 2fe4 s PHE 152 N -3.17 -0.03 -0.20 -0.03 5.36 -1.26 0.48 117.98 119.13 2fe4 s PHE 152 Ca 0.55 0.07 -0.28 0.00 -0.96 0.00 0.00 56.93 56.31 2fe4 s PHE 152 Cb -0.11 -0.01 0.10 0.00 -0.34 0.00 0.00 43.02 42.66 2fe4 s PHE 152 CO 0.51 -0.21 0.89 -1.50 -1.46 0.00 0.00 175.22 173.46 2fe4 s ILE 153 N -0.84 0.00 -0.02 3.12 2.07 -0.79 -4.94 121.20 119.80 2fe4 s ILE 153 Ca -0.09 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.14 2fe4 s ILE 153 Cb -0.05 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.50 2fe4 s ILE 153 CO 0.01 0.00 0.05 -1.61 -1.91 0.00 0.00 174.94 171.48 2fe4 s GLU 154 N -0.43 2.99 0.32 3.50 2.02 -1.26 -1.49 118.70 124.35 2fe4 s GLU 154 Ca -0.02 -0.50 0.07 0.00 0.02 0.00 0.00 54.97 54.54 2fe4 s GLU 154 Cb -0.03 -2.81 -0.02 0.00 0.10 0.00 0.00 34.13 31.37 2fe4 s GLU 154 CO 0.01 0.65 0.24 0.25 0.02 0.00 0.00 175.26 176.43 2fe4 n THR 155 N 1.40 0.00 -3.24 3.63 -2.24 0.68 -4.67 114.28 109.83 2fe4 n THR 155 Ca -0.14 -2.22 -0.02 0.00 -2.27 0.00 0.00 64.05 59.40 2fe4 n THR 155 Cb 0.53 1.05 -0.04 0.00 -2.10 0.00 0.00 70.33 69.77 2fe4 n THR 155 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2fe4 s SER 156 N -3.16 -0.64 0.34 3.42 0.15 -0.86 -1.34 113.70 111.62 2fe4 s SER 156 Ca 0.33 0.56 0.17 0.00 0.70 0.00 0.00 55.95 57.71 2fe4 s SER 156 Cb 0.02 1.68 0.54 0.00 -1.71 0.00 0.00 66.02 66.54 2fe4 s SER 156 CO 0.24 -0.28 1.67 0.00 1.20 0.00 0.00 173.24 176.06 2fe4 h ALA 157 N 8.08 0.93 -0.16 5.45 0.00 -1.90 0.15 119.26 131.81 2fe4 h ALA 157 Ca -0.21 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.24 2fe4 h ALA 157 Cb 1.16 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2fe4 h ALA 157 CO 0.26 0.55 -0.14 -0.22 0.00 0.00 0.00 179.25 179.70 2fe4 h LYS 158 N 0.00 0.39 0.00 0.00 3.64 -1.94 -3.30 116.57 115.36 2fe4 h LYS 158 Ca -0.00 -0.20 -0.03 0.00 -1.27 0.00 0.00 60.65 59.15 2fe4 h LYS 158 Cb 1.01 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.83 2fe4 h LYS 158 CO 0.06 0.75 -1.34 0.25 -2.27 0.00 0.00 179.45 176.89 2fe4 n THR 159 N -4.54 0.54 -0.18 1.00 -2.24 -1.23 -4.93 114.28 102.70 2fe4 n THR 159 Ca -0.06 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 2fe4 n THR 159 Cb 0.36 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 2fe4 n THR 159 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fe4 n GLY 160 N 1.24 0.67 3.69 3.38 0.00 0.49 -5.02 105.19 109.64 2fe4 n GLY 160 Ca -0.03 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.46 2fe4 n GLY 160 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2fe4 n TYR 161 N -2.00 2.16 -0.85 1.61 4.19 -0.90 -2.20 117.16 119.17 2fe4 n TYR 161 Ca 0.00 0.29 0.00 0.00 3.31 0.00 0.00 57.90 61.50 2fe4 n TYR 161 Cb 0.00 -2.55 0.00 0.00 0.49 0.00 0.00 39.34 37.28 2fe4 n TYR 161 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 2fe4 n ASN 162 N 5.74 -4.96 -0.26 2.98 3.02 -1.26 -2.02 115.26 118.50 2fe4 n ASN 162 Ca 0.24 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.73 2fe4 n ASN 162 Cb 0.21 -3.07 0.05 0.00 -0.61 0.00 0.00 39.78 36.36 2fe4 n ASN 162 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2fe4 h VAL 163 N 0.00 1.23 -0.14 2.41 2.07 -1.73 -1.73 116.25 118.36 2fe4 h VAL 163 Ca 0.00 -0.65 -0.15 0.00 0.82 0.00 0.00 66.70 66.72 2fe4 h VAL 163 Cb 0.83 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2fe4 h VAL 163 CO 0.00 0.27 -0.56 0.50 0.02 0.00 0.00 177.57 177.80 2fe4 h LYS 164 N 1.01 0.43 -0.09 1.57 3.64 -1.89 -3.01 116.57 118.23 2fe4 h LYS 164 Ca 0.25 -0.27 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 2fe4 h LYS 164 Cb 0.11 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2fe4 h LYS 164 CO -0.03 0.87 -0.23 0.37 -2.27 0.00 0.00 179.45 178.17 2fe4 h GLN 165 N 0.33 0.16 0.54 1.90 5.75 -1.87 -1.20 115.11 120.72 2fe4 h GLN 165 Ca 0.00 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.43 2fe4 h GLN 165 Cb 1.08 -0.02 0.01 0.00 1.07 0.00 0.00 27.48 29.62 2fe4 h GLN 165 CO 0.10 0.38 -0.26 1.25 -2.65 0.00 0.00 178.83 177.65 2fe4 h LEU 166 N 0.15 -0.62 -0.62 -2.39 5.85 -1.18 -1.04 115.31 115.45 2fe4 h LEU 166 Ca 0.03 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.66 2fe4 h LEU 166 Cb 0.49 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 2fe4 h LEU 166 CO 0.03 -0.41 0.04 -0.26 -0.34 0.00 0.00 178.44 177.51 2fe4 h PHE 167 N -0.78 1.15 -0.36 1.25 0.04 -1.53 -1.75 116.94 114.97 2fe4 h PHE 167 Ca -0.07 -0.18 -0.01 0.00 2.80 0.00 0.00 57.97 60.51 2fe4 h PHE 167 Cb 0.58 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 2fe4 h PHE 167 CO -0.03 1.00 0.20 -0.09 -0.60 0.00 0.00 178.31 178.79 2fe4 h ARG 168 N 0.98 0.50 0.17 1.51 1.12 -1.20 0.12 114.38 117.58 2fe4 h ARG 168 Ca 0.18 -0.06 -0.01 0.00 -1.11 0.00 0.00 59.98 58.99 2fe4 h ARG 168 Cb 0.51 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 30.37 2fe4 h ARG 168 CO 0.02 0.41 -0.08 0.00 -3.11 0.00 0.00 179.97 177.22 2fe4 h ARG 169 N 0.46 -0.22 -0.65 0.20 3.08 -1.08 0.32 114.38 116.49 2fe4 h ARG 169 Ca 0.13 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 2fe4 h ARG 169 Cb 0.06 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 2fe4 h ARG 169 CO -0.02 -0.07 0.29 -0.39 -1.07 0.00 0.00 179.97 178.71 2fe4 h VAL 170 N -0.32 1.22 -0.70 2.04 -1.51 -1.19 0.43 116.25 116.22 2fe4 h VAL 170 Ca -0.02 -0.63 -0.07 0.00 -1.23 0.00 0.00 66.70 64.74 2fe4 h VAL 170 Cb 0.25 0.40 -0.03 0.00 -2.13 0.00 0.00 31.29 29.79 2fe4 h VAL 170 CO 0.04 0.26 0.14 0.00 -1.23 0.00 0.00 177.57 176.78 2fe4 h ALA 171 N 1.40 0.92 -0.40 5.19 0.00 -0.53 -1.98 119.26 123.86 2fe4 h ALA 171 Ca 0.22 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2fe4 h ALA 171 Cb 0.12 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2fe4 h ALA 171 CO -0.03 0.67 -0.03 1.03 0.00 0.00 0.00 179.25 180.89 2fe4 h SER 172 N 1.06 0.63 0.05 0.00 0.87 0.47 -2.16 113.55 114.48 2fe4 h SER 172 Ca 0.22 -0.15 -0.06 0.00 -1.23 0.00 0.00 61.79 60.56 2fe4 h SER 172 Cb 0.41 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 2fe4 h SER 172 CO 0.01 0.73 -0.18 0.00 -0.53 0.00 0.00 176.83 176.85 2fe4 h ALA 173 N 1.34 1.41 -0.27 6.23 0.00 -0.33 -2.23 119.26 125.42 2fe4 h ALA 173 Ca 0.12 -0.25 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 2fe4 h ALA 173 Cb 0.44 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2fe4 h ALA 173 CO 0.02 0.41 -0.53 -0.07 0.00 0.00 0.00 179.25 179.07 2fe4 h LEU 174 N 0.24 0.87 -0.80 0.00 3.38 -0.74 -3.11 115.31 115.14 2fe4 h LEU 174 Ca 0.04 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.51 2fe4 h LEU 174 Cb 0.47 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2fe4 h LEU 174 CO 0.03 1.23 -0.20 -0.07 0.09 0.00 0.00 178.44 179.52 2fe4 h LEU 175 N 0.60 0.00 -1.04 1.67 -0.00 -1.22 -3.52 115.31 111.80 2fe4 h LEU 175 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 2fe4 h LEU 175 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.78 2fe4 h LEU 175 CO 0.11 0.20 0.00 1.21 -0.00 0.00 0.00 178.44 179.97