#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r4a s GLU 17 N 0.00 3.00 0.62 -0.14 0.41 -1.26 -4.69 118.70 116.64 1r4a s GLU 17 Ca 0.00 -0.99 -0.10 0.00 -0.41 0.00 0.00 54.97 53.47 1r4a s GLU 17 Cb 0.00 -3.89 -0.03 0.00 -1.78 0.00 0.00 34.13 28.43 1r4a s GLU 17 CO 0.00 -0.70 1.01 -1.64 -0.49 0.00 0.00 175.26 173.45 1r4a s MET 18 N 1.65 3.47 -0.06 1.61 -1.94 -1.02 -4.92 119.30 118.10 1r4a s MET 18 Ca 0.04 0.64 0.03 0.00 -1.71 0.00 0.00 55.69 54.70 1r4a s MET 18 Cb -0.19 -2.10 0.00 0.00 2.01 0.00 0.00 34.83 34.55 1r4a s MET 18 CO 0.09 -0.61 -0.17 -0.98 -0.01 0.00 0.00 175.02 173.35 1r4a s ARG 19 N -5.16 1.97 0.13 2.03 1.70 -1.26 -1.41 118.95 116.94 1r4a s ARG 19 Ca 0.55 -0.58 0.10 0.00 -0.47 0.00 0.00 55.73 55.32 1r4a s ARG 19 Cb -0.11 -1.63 -0.04 0.00 -0.57 0.00 0.00 34.95 32.60 1r4a s ARG 19 CO 0.53 0.15 -0.21 0.42 -1.08 0.00 0.00 175.30 175.11 1r4a s ILE 20 N 0.32 2.64 -0.09 4.99 1.01 0.68 -2.59 121.20 128.16 1r4a s ILE 20 Ca -0.10 -1.62 0.03 0.00 0.00 0.00 0.00 60.65 58.96 1r4a s ILE 20 Cb -0.14 -2.20 -0.01 0.00 0.01 0.00 0.00 42.46 40.11 1r4a s ILE 20 CO 0.04 0.08 -0.19 -0.76 0.00 0.00 0.00 174.94 174.11 1r4a s LEU 21 N -2.16 2.42 -0.42 2.97 1.43 -0.89 -1.43 118.68 120.59 1r4a s LEU 21 Ca 0.17 -0.40 -0.08 0.00 -1.03 0.00 0.00 54.13 52.79 1r4a s LEU 21 Cb -0.10 -1.50 0.09 0.00 0.03 0.00 0.00 46.19 44.71 1r4a s LEU 21 CO 0.09 0.22 0.26 -0.63 0.23 0.00 0.00 176.35 176.52 1r4a s ILE 22 N 0.02 4.06 0.45 -0.59 1.01 0.16 -0.92 121.20 125.40 1r4a s ILE 22 Ca -0.07 -1.56 0.07 0.00 0.00 0.00 0.00 60.65 59.09 1r4a s ILE 22 Cb -0.15 -3.56 -0.01 0.00 0.01 0.00 0.00 42.46 38.76 1r4a s ILE 22 CO 0.05 -0.57 0.35 -0.76 0.00 0.00 0.00 174.94 174.01 1r4a s LEU 23 N 1.37 3.15 0.00 2.97 1.43 -0.63 -3.20 118.68 123.77 1r4a s LEU 23 Ca 0.04 -0.95 0.00 0.00 -1.03 0.00 0.00 54.13 52.19 1r4a s LEU 23 Cb -0.24 -1.69 0.00 0.00 0.03 0.00 0.00 46.19 44.29 1r4a s LEU 23 CO 0.01 -0.76 0.00 0.61 0.23 0.00 0.00 176.35 176.43 1r4a n GLY 24 N -1.56 3.30 3.77 -3.19 0.00 -1.26 -1.34 105.19 104.91 1r4a n GLY 24 Ca 0.02 -1.58 -0.31 0.00 0.00 0.00 0.00 46.02 44.15 1r4a n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r4a s LEU 25 N 0.00 2.99 0.34 0.99 1.43 -1.26 -4.24 118.68 118.94 1r4a s LEU 25 Ca 0.00 1.76 -0.29 0.00 -1.03 0.00 0.00 54.13 54.58 1r4a s LEU 25 Cb 0.00 -4.47 -0.12 0.00 0.03 0.00 0.00 46.19 41.63 1r4a s LEU 25 CO 0.00 -1.98 1.46 -0.90 0.23 0.00 0.00 176.35 175.15 1r4a n ASP 26 N -3.49 3.49 0.00 2.29 5.75 -1.14 -2.30 116.55 121.16 1r4a n ASP 26 Ca 0.09 1.20 0.00 0.00 -0.01 0.00 0.00 54.79 56.07 1r4a n ASP 26 Cb 0.53 -1.57 0.00 0.00 -1.03 0.00 0.00 41.12 39.05 1r4a n ASP 26 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1r4a n GLY 27 N 1.02 3.05 0.45 6.12 0.00 -1.26 -4.90 105.19 109.66 1r4a n GLY 27 Ca 0.04 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.32 1r4a n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r4a h ALA 28 N 0.00 2.56 0.00 4.61 0.00 -1.79 -3.45 119.26 121.19 1r4a h ALA 28 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1r4a h ALA 28 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1r4a h ALA 28 CO 0.00 -1.04 0.00 0.41 0.00 0.00 0.00 179.25 178.62 1r4a n GLY 29 N -1.62 1.34 0.18 0.00 0.00 -1.26 -4.50 105.19 99.34 1r4a n GLY 29 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.13 1r4a n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r4a h LYS 30 N 0.04 0.28 -0.28 1.61 1.57 -1.90 -2.02 116.57 115.88 1r4a h LYS 30 Ca 0.00 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1r4a h LYS 30 Cb 0.00 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1r4a h LYS 30 CO 0.00 0.19 -0.04 1.15 -0.57 0.00 0.00 179.45 180.18 1r4a h THR 31 N 0.29 1.27 -0.75 -0.16 2.02 -1.96 -2.04 112.91 111.58 1r4a h THR 31 Ca 0.21 -1.02 0.10 0.00 0.77 0.00 0.00 66.41 66.48 1r4a h THR 31 Cb 0.23 1.38 -0.05 0.00 -1.74 0.00 0.00 68.15 67.96 1r4a h THR 31 CO -0.24 0.32 0.49 0.74 0.37 0.00 0.00 175.52 177.21 1r4a h THR 32 N 0.28 0.92 0.02 3.16 2.02 -1.93 -2.00 112.91 115.39 1r4a h THR 32 Ca 0.07 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 1r4a h THR 32 Cb 0.49 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1r4a h THR 32 CO 0.02 0.12 -0.01 0.40 0.37 0.00 0.00 175.52 176.42 1r4a h ILE 33 N 0.63 1.30 -0.60 3.11 2.04 -1.12 -2.49 117.51 120.38 1r4a h ILE 33 Ca 0.35 -1.01 0.12 0.00 1.00 0.00 0.00 64.86 65.32 1r4a h ILE 33 Cb 0.51 1.97 -0.11 0.00 -0.74 0.00 0.00 36.82 38.45 1r4a h ILE 33 CO -0.13 0.26 -0.12 0.25 0.00 0.00 0.00 178.15 178.41 1r4a h LEU 34 N -0.47 -0.50 -0.06 1.44 5.85 -0.65 -0.02 115.31 120.90 1r4a h LEU 34 Ca -0.00 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1r4a h LEU 34 Cb 0.45 0.35 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1r4a h LEU 34 CO 0.01 -0.18 0.00 -1.22 -0.34 0.00 0.00 178.44 176.70 1r4a n TYR 35 N -5.39 0.97 0.09 1.25 4.02 -0.97 -2.58 117.16 114.56 1r4a n TYR 35 Ca 0.07 0.29 -0.06 0.00 -0.01 0.00 0.00 57.90 58.20 1r4a n TYR 35 Cb 0.32 -0.97 0.09 0.00 -0.02 0.00 0.00 39.34 38.76 1r4a n TYR 35 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1r4a h ARG 36 N 0.00 0.20 -6.43 -0.72 9.65 -0.56 -3.37 114.38 113.14 1r4a h ARG 36 Ca 0.00 -0.16 -0.54 0.00 -1.10 0.00 0.00 59.98 58.18 1r4a h ARG 36 Cb 0.72 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.30 1r4a h ARG 36 CO 0.00 0.81 0.11 -0.51 2.80 0.00 0.00 179.97 183.17 1r4a s LEU 37 N -7.74 4.56 -0.76 3.80 1.43 -0.54 -4.24 118.68 115.19 1r4a s LEU 37 Ca -0.03 1.51 -0.02 0.00 -1.03 0.00 0.00 54.13 54.56 1r4a s LEU 37 Cb 0.11 -3.18 0.00 0.00 0.03 0.00 0.00 46.19 43.16 1r4a s LEU 37 CO 0.80 0.22 0.65 1.67 0.23 0.00 0.00 176.35 179.92 1r4a n GLN 38 N 1.59 -1.50 0.00 1.70 -0.06 -1.26 -4.90 117.38 112.95 1r4a n GLN 38 Ca -0.07 1.17 0.00 0.00 -2.00 0.00 0.00 57.00 56.10 1r4a n GLN 38 Cb 0.49 -3.94 0.00 0.00 -4.06 0.00 0.00 30.24 22.74 1r4a n GLN 38 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 1r4a n VAL 39 N -2.06 0.00 0.00 1.69 0.31 -1.26 -4.93 118.33 112.09 1r4a n VAL 39 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1r4a n VAL 39 Cb 0.60 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.53 1r4a n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1r4a n GLY 40 N -1.91 -2.25 0.00 2.92 0.00 -1.26 -4.57 105.19 98.12 1r4a n GLY 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1r4a n GLY 40 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1r4a n GLU 41 N 0.00 0.00 -3.11 1.61 0.00 -1.26 -4.54 120.64 113.33 1r4a n GLU 41 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.18 1r4a n GLU 41 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 31.44 31.44 1r4a n GLU 41 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1r4a s VAL 42 N -0.47 -0.80 0.00 6.31 1.01 -1.26 -5.03 120.40 120.17 1r4a s VAL 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1r4a s VAL 42 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 36.38 36.14 1r4a s VAL 42 CO 0.00 0.00 0.44 0.52 0.00 0.00 0.00 175.10 176.06 1r4a n VAL 43 N 4.57 0.44 -1.82 2.92 0.31 -1.26 -4.68 118.33 118.82 1r4a n VAL 43 Ca 0.09 -0.08 -0.38 0.00 -0.01 0.00 0.00 64.34 63.96 1r4a n VAL 43 Cb 0.58 -0.91 -0.03 0.00 -0.91 0.00 0.00 33.84 32.57 1r4a n VAL 43 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1r4a s THR 44 N 1.08 3.20 0.01 2.52 2.01 -1.26 -4.85 115.64 118.34 1r4a s THR 44 Ca 0.00 0.12 -0.01 0.00 0.31 0.00 0.00 61.69 62.11 1r4a s THR 44 Cb 0.00 -3.51 -0.01 0.00 0.01 0.00 0.00 72.50 68.99 1r4a s THR 44 CO 0.00 -0.49 -0.01 0.28 -0.69 0.00 0.00 174.62 173.72 1r4a s THR 45 N 10.45 0.07 0.12 -0.82 -1.32 -1.26 -5.08 115.64 117.80 1r4a s THR 45 Ca 0.81 -0.61 0.03 0.00 -1.21 0.00 0.00 61.69 60.72 1r4a s THR 45 Cb -0.15 -0.20 -0.04 0.00 -1.51 0.00 0.00 72.50 70.60 1r4a s THR 45 CO 0.23 -0.34 -0.09 0.27 -2.21 0.00 0.00 174.62 172.49 1r4a s ILE 46 N -1.00 0.96 0.02 5.08 -4.36 -1.26 -5.11 121.20 115.53 1r4a s ILE 46 Ca -0.11 -1.91 -0.36 0.00 -0.26 0.00 0.00 60.65 58.01 1r4a s ILE 46 Cb -0.07 -1.66 -0.15 0.00 1.25 0.00 0.00 42.46 41.83 1r4a s ILE 46 CO -0.01 -0.74 1.57 -2.65 0.24 0.00 0.00 174.94 173.36 1r4a n PRO 47 N 0.05 1.64 -2.60 0.37 -0.02 -1.26 -4.87 135.00 128.31 1r4a n PRO 47 Ca -0.12 0.60 -0.41 0.00 -2.02 0.00 0.00 63.50 61.54 1r4a n PRO 47 Cb 0.60 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 1r4a n PRO 47 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1r4a s THR 48 N 1.72 3.87 -1.11 3.45 2.01 -1.26 -4.93 115.64 119.39 1r4a s THR 48 Ca 0.86 -0.05 -0.12 0.00 0.31 0.00 0.00 61.69 62.69 1r4a s THR 48 Cb -0.84 -4.93 0.23 0.00 0.01 0.00 0.00 72.50 66.97 1r4a s THR 48 CO 0.48 -1.83 1.19 -0.63 -0.69 0.00 0.00 174.62 173.14 1r4a s ILE 49 N 5.25 5.57 0.00 1.82 1.01 -1.26 -4.01 121.20 129.58 1r4a s ILE 49 Ca 0.36 -2.97 0.00 0.00 0.00 0.00 0.00 60.65 58.05 1r4a s ILE 49 Cb -0.07 -4.71 0.00 0.00 0.01 0.00 0.00 42.46 37.69 1r4a s ILE 49 CO 0.07 -1.34 0.00 0.61 0.00 0.00 0.00 174.94 174.28 1r4a n GLY 50 N 3.45 0.63 3.52 6.18 0.00 -1.26 -5.08 105.19 112.63 1r4a n GLY 50 Ca 0.27 -0.51 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 1r4a n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1r4a s PHE 51 N 0.00 -0.33 0.05 1.61 -0.12 -1.26 -2.85 117.98 115.07 1r4a s PHE 51 Ca 0.00 0.19 0.07 0.00 -0.05 0.00 0.00 56.93 57.14 1r4a s PHE 51 Cb 0.00 0.54 -0.03 0.00 -0.63 0.00 0.00 43.02 42.91 1r4a s PHE 51 CO 0.00 -0.56 -0.20 -0.80 -0.05 0.00 0.00 175.22 173.61 1r4a s ASN 52 N -2.51 2.37 -0.02 1.98 0.01 -0.44 -4.97 114.94 111.36 1r4a s ASN 52 Ca 0.05 -0.53 0.00 0.00 -0.71 0.00 0.00 52.86 51.67 1r4a s ASN 52 Cb -0.01 -0.18 0.03 0.00 0.41 0.00 0.00 41.25 41.49 1r4a s ASN 52 CO -0.08 0.13 0.01 -0.69 -1.51 0.00 0.00 177.10 174.96 1r4a s VAL 53 N -0.85 0.07 0.00 1.60 1.01 -1.26 -0.05 120.40 120.92 1r4a s VAL 53 Ca 0.07 0.14 -0.10 0.00 0.00 0.00 0.00 61.98 62.09 1r4a s VAL 53 Cb -0.09 -0.18 0.01 0.00 0.00 0.00 0.00 36.38 36.12 1r4a s VAL 53 CO 0.02 0.11 0.19 -0.70 0.00 0.00 0.00 175.10 174.72 1r4a s GLU 54 N 0.99 0.56 -0.21 2.72 2.56 -0.92 -5.01 118.70 119.39 1r4a s GLU 54 Ca -0.09 -0.38 -0.13 0.00 0.00 0.00 0.00 54.97 54.36 1r4a s GLU 54 Cb -0.13 0.24 -0.05 0.00 2.00 0.00 0.00 34.13 36.20 1r4a s GLU 54 CO -0.02 -0.15 0.27 0.99 -0.56 0.00 0.00 175.26 175.80 1r4a s THR 55 N -1.55 5.29 -0.02 -1.70 2.01 -1.26 -1.88 115.64 116.53 1r4a s THR 55 Ca -0.13 0.45 0.07 0.00 0.31 0.00 0.00 61.69 62.39 1r4a s THR 55 Cb -0.06 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 1r4a s THR 55 CO 0.01 0.32 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.36 1r4a s VAL 56 N 1.00 2.39 -0.18 3.82 1.01 -0.65 -4.97 120.40 122.82 1r4a s VAL 56 Ca 0.14 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 61.10 1r4a s VAL 56 Cb -0.14 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.38 1r4a s VAL 56 CO 0.05 0.55 -0.19 0.42 0.00 0.00 0.00 175.10 175.93 1r4a s THR 57 N -0.68 2.05 0.00 3.92 -4.23 -1.26 -0.87 115.64 114.57 1r4a s THR 57 Ca 0.11 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 1r4a s THR 57 Cb -0.10 -1.87 0.00 0.00 1.34 0.00 0.00 72.50 71.87 1r4a s THR 57 CO 0.00 0.51 0.00 0.00 -0.54 0.00 0.00 174.62 174.59 1r4a n TYR 58 N 4.62 0.00 -1.92 3.99 9.36 -1.21 -4.75 117.16 127.25 1r4a n TYR 58 Ca -0.21 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 60.66 1r4a n TYR 58 Cb 0.50 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 39.16 1r4a n TYR 58 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1r4a n LYS 59 N 0.00 1.93 -1.08 2.98 4.81 -1.26 -4.14 118.16 121.39 1r4a n LYS 59 Ca 0.00 -2.47 -0.07 0.00 -0.87 0.00 0.00 58.31 54.90 1r4a n LYS 59 Cb 0.00 -3.47 -0.03 0.00 0.02 0.00 0.00 35.03 31.55 1r4a n LYS 59 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1r4a n ASN 60 N 11.24 -2.54 -4.72 3.14 0.23 -1.26 -4.92 115.26 116.43 1r4a n ASN 60 Ca 0.47 0.18 -0.18 0.00 -0.53 0.00 0.00 54.58 54.52 1r4a n ASN 60 Cb 0.45 -2.33 0.06 0.00 -2.08 0.00 0.00 39.78 35.87 1r4a n ASN 60 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1r4a n LEU 61 N -1.25 0.00 -3.90 -4.53 4.77 -1.26 -5.09 117.00 105.74 1r4a n LEU 61 Ca -0.07 -2.34 -0.23 0.00 -0.03 0.00 0.00 56.01 53.34 1r4a n LEU 61 Cb 0.29 -0.37 -0.17 0.00 -2.33 0.00 0.00 43.42 40.85 1r4a n LEU 61 CO 0.11 -0.69 -0.42 -0.75 -1.33 0.00 0.00 177.39 174.31 1r4a s LYS 62 N -4.41 1.10 0.00 3.23 2.47 -1.26 -3.31 119.74 117.55 1r4a s LYS 62 Ca 0.55 -0.16 0.06 0.00 -1.56 0.00 0.00 55.97 54.85 1r4a s LYS 62 Cb -0.04 -1.10 -0.02 0.00 -1.46 0.00 0.00 37.83 35.21 1r4a s LYS 62 CO 0.35 -0.12 -0.17 -0.06 0.16 0.00 0.00 175.35 175.50 1r4a s PHE 63 N 1.15 1.55 -0.37 4.03 0.40 -0.05 -2.42 117.98 122.28 1r4a s PHE 63 Ca -0.07 -0.31 -0.13 0.00 -0.60 0.00 0.00 56.93 55.83 1r4a s PHE 63 Cb -0.14 -0.98 0.01 0.00 0.51 0.00 0.00 43.02 42.42 1r4a s PHE 63 CO -0.01 -0.00 0.24 -1.14 0.70 0.00 0.00 175.22 175.00 1r4a s GLN 64 N -0.61 3.09 -0.20 0.44 0.74 -0.50 -1.64 119.66 120.98 1r4a s GLN 64 Ca 0.06 -0.91 -0.06 0.00 0.05 0.00 0.00 55.36 54.50 1r4a s GLN 64 Cb -0.07 -3.81 -0.03 0.00 1.10 0.00 0.00 33.01 30.20 1r4a s GLN 64 CO -0.00 -0.62 0.03 0.08 -0.55 0.00 0.00 175.29 174.23 1r4a s VAL 65 N 1.64 4.27 -0.20 1.34 1.01 -0.79 -0.23 120.40 127.44 1r4a s VAL 65 Ca 0.04 -0.21 -0.07 0.00 0.00 0.00 0.00 61.98 61.75 1r4a s VAL 65 Cb -0.18 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 1r4a s VAL 65 CO 0.09 0.42 0.04 0.26 0.00 0.00 0.00 175.10 175.91 1r4a s TRP 66 N 0.93 3.14 -0.36 5.22 0.52 -0.52 -2.17 118.94 125.70 1r4a s TRP 66 Ca 0.02 -0.17 -0.07 0.00 0.02 0.00 0.00 56.10 55.90 1r4a s TRP 66 Cb -0.14 -2.10 0.05 0.00 -1.15 0.00 0.00 33.47 30.13 1r4a s TRP 66 CO 0.02 -0.06 0.15 0.34 0.02 0.00 0.00 176.95 177.43 1r4a s ASP 67 N 0.77 5.41 -0.17 2.95 2.15 0.93 -0.67 116.67 128.05 1r4a s ASP 67 Ca 0.02 -1.26 -0.12 0.00 0.43 0.00 0.00 52.55 51.62 1r4a s ASP 67 Cb -0.14 -1.90 -0.05 0.00 -0.30 0.00 0.00 42.92 40.53 1r4a s ASP 67 CO 0.02 -0.39 0.22 -0.76 -0.17 0.00 0.00 175.17 174.09 1r4a s LEU 68 N 1.40 4.24 0.49 -1.34 1.43 -1.19 -1.32 118.68 122.38 1r4a s LEU 68 Ca 0.00 0.40 -0.24 0.00 -1.03 0.00 0.00 54.13 53.26 1r4a s LEU 68 Cb -0.20 -2.24 -0.07 0.00 0.03 0.00 0.00 46.19 43.70 1r4a s LEU 68 CO 0.03 0.15 1.36 0.61 0.23 0.00 0.00 176.35 178.72 1r4a n GLY 69 N 3.34 0.78 0.57 -3.19 0.00 -1.13 -4.76 105.19 100.79 1r4a n GLY 69 Ca -0.14 0.12 0.05 0.00 0.00 0.00 0.00 46.02 46.04 1r4a n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r4a n GLY 70 N 0.72 2.84 3.75 -0.02 0.00 -1.26 -4.61 105.19 106.60 1r4a n GLY 70 Ca 0.08 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 1r4a n GLY 70 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1r4a s GLN 71 N -1.05 2.38 0.27 1.61 -2.07 -1.26 -2.88 119.66 116.66 1r4a s GLN 71 Ca 0.21 1.50 -0.09 0.00 -1.82 0.00 0.00 55.36 55.16 1r4a s GLN 71 Cb 0.11 -1.89 0.42 0.00 -1.09 0.00 0.00 33.01 30.57 1r4a s GLN 71 CO 0.14 -1.59 1.57 1.15 -1.32 0.00 0.00 175.29 175.23 1r4a h THR 72 N -0.35 0.07 0.00 3.63 2.02 -2.00 -2.65 112.91 113.63 1r4a h THR 72 Ca -0.46 -0.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.69 1r4a h THR 72 Cb 1.26 0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1r4a h THR 72 CO 0.51 0.00 -0.15 0.77 0.37 0.00 0.00 175.52 177.03 1r4a h SER 73 N 0.00 0.00 -0.00 4.18 4.64 -2.00 -3.20 113.55 117.17 1r4a h SER 73 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 1r4a h SER 73 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1r4a h SER 73 CO -0.96 0.15 -0.53 2.30 -0.87 0.00 0.00 176.83 176.91 1r4a n ILE 74 N -3.64 0.00 -0.02 0.95 -5.35 -1.02 -4.43 119.36 105.85 1r4a n ILE 74 Ca -0.02 -0.23 0.09 0.00 -0.27 0.00 0.00 62.75 62.32 1r4a n ILE 74 Cb 0.27 1.06 0.49 0.00 -1.74 0.00 0.00 39.64 39.73 1r4a n ILE 74 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 1r4a h ARG 75 N 0.58 0.40 -0.02 6.28 2.43 -1.49 -1.22 114.38 121.33 1r4a h ARG 75 Ca 0.00 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1r4a h ARG 75 Cb 0.39 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1r4a h ARG 75 CO 0.00 0.26 0.09 -1.35 -1.51 0.00 0.00 179.97 177.46 1r4a h PRO 76 N 0.41 0.00 -0.42 0.20 0.11 -1.77 -2.03 132.00 128.49 1r4a h PRO 76 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1r4a h PRO 76 Cb 0.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.40 1r4a h PRO 76 CO -0.05 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.40 1r4a n TYR 77 N -3.20 0.56 -0.20 0.65 4.02 -0.46 -4.33 117.16 114.20 1r4a n TYR 77 Ca -0.02 -0.28 -0.07 0.00 -0.01 0.00 0.00 57.90 57.52 1r4a n TYR 77 Cb 0.16 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.51 1r4a n TYR 77 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 176.86 174.36 1r4a h TRP 78 N 3.16 0.75 0.00 -0.72 6.55 -1.49 -2.68 115.95 121.52 1r4a h TRP 78 Ca 0.00 -0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1r4a h TRP 78 Cb 0.71 -0.25 0.00 0.00 -0.86 0.00 0.00 29.16 28.77 1r4a h TRP 78 CO 0.28 0.52 0.17 0.07 -1.05 0.00 0.00 178.44 178.43 1r4a h ARG 79 N 0.76 0.00 0.00 0.49 0.11 -1.82 -0.62 114.38 113.31 1r4a h ARG 79 Ca 0.20 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.28 1r4a h ARG 79 Cb -0.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.07 1r4a h ARG 79 CO -0.04 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.03 1r4a n TYR 81 N -2.52 0.00 0.23 0.00 4.01 -0.24 -4.66 117.16 113.98 1r4a n TYR 81 Ca -0.01 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 57.91 1r4a n TYR 81 Cb 0.12 0.00 0.87 0.00 -0.31 0.00 0.00 39.34 40.01 1r4a n TYR 81 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 1r4a h TYR 82 N 0.40 0.00 -2.04 -0.72 0.05 -1.58 -3.45 116.97 109.63 1r4a h TYR 82 Ca 0.00 0.00 -0.63 0.00 0.05 0.00 0.00 58.73 58.15 1r4a h TYR 82 Cb 0.38 0.00 0.06 0.00 1.01 0.00 0.00 36.73 38.19 1r4a h TYR 82 CO 0.00 0.00 0.52 0.45 -1.05 0.00 0.00 178.16 178.08 1r4a n SER 83 N -3.68 2.11 -3.36 3.88 2.88 -1.26 -2.27 113.62 111.92 1r4a n SER 83 Ca 0.01 1.12 -0.24 0.00 -1.33 0.00 0.00 58.87 58.42 1r4a n SER 83 Cb 0.30 -1.29 0.03 0.00 -0.75 0.00 0.00 64.21 62.49 1r4a n SER 83 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1r4a n ASN 84 N 2.58 -5.29 -4.73 -3.46 3.02 -1.26 -4.97 115.26 101.15 1r4a n ASN 84 Ca 0.16 -0.44 -0.39 0.00 -0.03 0.00 0.00 54.58 53.88 1r4a n ASN 84 Cb 0.25 -4.26 -0.05 0.00 -0.61 0.00 0.00 39.78 35.10 1r4a n ASN 84 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1r4a s THR 85 N -3.15 5.07 -0.14 3.41 2.01 -0.96 -4.71 115.64 117.17 1r4a s THR 85 Ca 0.44 1.19 -0.13 0.00 0.31 0.00 0.00 61.69 63.49 1r4a s THR 85 Cb -0.21 -3.92 -0.25 0.00 0.01 0.00 0.00 72.50 68.14 1r4a s THR 85 CO 0.54 0.33 0.37 0.44 -0.69 0.00 0.00 174.62 175.61 1r4a h ASP 86 N 6.46 0.30 -4.80 3.53 3.32 -1.86 -3.40 116.42 119.96 1r4a h ASP 86 Ca -0.42 -0.81 -0.14 0.00 0.02 0.00 0.00 57.03 55.68 1r4a h ASP 86 Cb 1.19 -0.10 -0.21 0.00 0.22 0.00 0.00 39.33 40.43 1r4a h ASP 86 CO 0.74 1.70 -0.45 0.00 -1.72 0.00 0.00 179.24 179.52 1r4a s ALA 87 N -2.49 -0.44 -0.20 3.45 0.00 -1.25 -1.56 121.76 119.26 1r4a s ALA 87 Ca -0.24 0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.79 1r4a s ALA 87 Cb 0.06 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.23 1r4a s ALA 87 CO 0.72 -0.20 -0.15 0.08 0.00 0.00 0.00 175.76 176.21 1r4a s VAL 88 N -1.14 2.37 -0.46 0.00 1.01 -0.96 -2.10 120.40 119.12 1r4a s VAL 88 Ca -0.12 -0.96 -0.20 0.00 0.00 0.00 0.00 61.98 60.70 1r4a s VAL 88 Cb -0.06 -2.08 0.03 0.00 0.00 0.00 0.00 36.38 34.27 1r4a s VAL 88 CO 0.02 0.42 0.63 -0.63 0.00 0.00 0.00 175.10 175.54 1r4a s ILE 89 N 1.30 4.85 -0.36 2.22 1.01 -0.09 -1.88 121.20 128.25 1r4a s ILE 89 Ca 0.03 -0.08 -0.15 0.00 0.00 0.00 0.00 60.65 60.45 1r4a s ILE 89 Cb -0.14 -4.22 -0.00 0.00 0.01 0.00 0.00 42.46 38.10 1r4a s ILE 89 CO -0.10 -0.65 0.36 -0.47 0.00 0.00 0.00 174.94 174.08 1r4a s TYR 90 N 2.75 3.21 -0.16 3.97 5.04 0.13 -1.60 117.35 130.69 1r4a s TYR 90 Ca 0.20 -0.16 -0.16 0.00 -2.44 0.00 0.00 57.07 54.51 1r4a s TYR 90 Cb -0.16 -2.68 -0.04 0.00 0.35 0.00 0.00 41.96 39.43 1r4a s TYR 90 CO 0.17 -0.49 0.40 0.08 -1.34 0.00 0.00 175.55 174.37 1r4a s VAL 91 N 1.98 5.23 -0.05 3.14 1.01 -0.45 -0.96 120.40 130.30 1r4a s VAL 91 Ca 0.11 0.76 0.03 0.00 0.00 0.00 0.00 61.98 62.87 1r4a s VAL 91 Cb -0.17 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1r4a s VAL 91 CO 0.12 0.32 -0.13 -0.69 0.00 0.00 0.00 175.10 174.72 1r4a s VAL 92 N 0.78 1.15 -0.43 2.92 1.01 -0.94 -4.19 120.40 120.70 1r4a s VAL 92 Ca 0.21 -0.53 -0.28 0.00 0.00 0.00 0.00 61.98 61.37 1r4a s VAL 92 Cb -0.14 -1.02 0.00 0.00 0.00 0.00 0.00 36.38 35.22 1r4a s VAL 92 CO 0.07 0.35 1.52 -0.62 0.00 0.00 0.00 175.10 176.42 1r4a s ASP 93 N 0.33 6.14 0.58 3.32 -1.08 -1.26 -2.09 116.67 122.61 1r4a s ASP 93 Ca -0.08 0.79 0.27 0.00 -0.52 0.00 0.00 52.55 53.02 1r4a s ASP 93 Cb -0.12 -2.54 1.71 0.00 -1.46 0.00 0.00 42.92 40.51 1r4a s ASP 93 CO 0.02 -1.60 2.22 0.28 0.52 0.00 0.00 175.17 176.61 1r4a h SER 94 N 11.46 0.00 0.94 -0.34 0.02 -1.55 -2.34 113.55 121.74 1r4a h SER 94 Ca -0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1r4a h SER 94 Cb 1.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1r4a h SER 94 CO 1.10 0.00 -0.57 0.00 -1.14 0.00 0.00 176.83 176.22 1r4a n ASP 96 N -2.15 4.82 0.19 0.00 -0.08 -0.88 -4.82 116.55 113.63 1r4a n ASP 96 Ca 0.03 -2.99 0.02 0.00 -1.51 0.00 0.00 54.79 50.34 1r4a n ASP 96 Cb 0.44 -1.58 0.36 0.00 2.34 0.00 0.00 41.12 42.68 1r4a n ASP 96 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1r4a h ARG 97 N 6.35 0.00 0.00 -0.67 3.08 -1.83 -3.10 114.38 118.21 1r4a h ARG 97 Ca 0.43 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.45 1r4a h ARG 97 Cb 0.72 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.76 1r4a h ARG 97 CO 1.58 0.37 -0.12 -0.44 -1.07 0.00 0.00 179.97 180.30 1r4a h ASP 98 N 0.00 0.00 -0.23 7.04 3.32 -1.99 -3.19 116.42 121.38 1r4a h ASP 98 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1r4a h ASP 98 Cb 0.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1r4a h ASP 98 CO 0.05 0.12 0.00 0.54 -1.72 0.00 0.00 179.24 178.22 1r4a n ARG 99 N -3.94 2.07 0.31 3.56 1.74 -1.17 -4.64 116.66 114.59 1r4a n ARG 99 Ca -0.02 -1.73 0.18 0.00 -0.77 0.00 0.00 57.85 55.50 1r4a n ARG 99 Cb 0.21 -1.24 1.01 0.00 -1.02 0.00 0.00 32.46 31.42 1r4a n ARG 99 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1r4a h ILE 100 N 2.02 0.35 -0.14 0.55 2.10 -1.55 -1.53 117.51 119.31 1r4a h ILE 100 Ca 0.00 -0.02 -0.16 0.00 1.08 0.00 0.00 64.86 65.76 1r4a h ILE 100 Cb 0.63 1.01 -0.01 0.00 -1.09 0.00 0.00 36.82 37.37 1r4a h ILE 100 CO 0.00 0.00 -0.60 1.23 -1.08 0.00 0.00 178.15 177.70 1r4a h GLY 101 N 0.04 0.52 1.30 8.18 0.00 -1.83 -2.43 103.07 108.84 1r4a h GLY 101 Ca -0.00 -0.63 -0.11 0.00 0.00 0.00 0.00 47.33 46.58 1r4a h GLY 101 CO 0.00 0.57 -0.18 -2.22 0.00 0.00 0.00 176.54 174.71 1r4a h ILE 102 N 0.35 1.27 -0.52 2.60 2.04 -1.62 -1.28 117.51 120.35 1r4a h ILE 102 Ca -0.00 -1.29 -0.05 0.00 1.00 0.00 0.00 64.86 64.52 1r4a h ILE 102 Cb 1.15 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 1r4a h ILE 102 CO 0.11 0.44 0.13 0.28 0.00 0.00 0.00 178.15 179.10 1r4a h SER 103 N 0.72 0.73 -0.21 1.72 0.02 -1.37 -1.34 113.55 113.82 1r4a h SER 103 Ca 0.11 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 1r4a h SER 103 Cb 0.70 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 1r4a h SER 103 CO 0.05 0.72 0.01 0.50 -1.14 0.00 0.00 176.83 176.97 1r4a h LYS 104 N 0.76 0.36 0.08 3.45 3.64 -0.93 -1.40 116.57 122.54 1r4a h LYS 104 Ca 0.17 -0.11 0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1r4a h LYS 104 Cb 0.28 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.01 1r4a h LYS 104 CO -0.00 0.54 -0.50 0.77 -2.27 0.00 0.00 179.45 177.98 1r4a h SER 105 N 0.13 -1.53 -0.54 4.20 0.02 -0.74 0.29 113.55 115.39 1r4a h SER 105 Ca 0.06 0.16 0.09 0.00 -0.84 0.00 0.00 61.79 61.26 1r4a h SER 105 Cb 0.37 0.57 -0.07 0.00 0.14 0.00 0.00 62.40 63.41 1r4a h SER 105 CO 0.01 -0.52 0.14 -0.33 -1.14 0.00 0.00 176.83 174.99 1r4a h GLU 106 N -0.69 0.29 -0.27 3.45 4.39 -1.26 -0.89 114.58 119.59 1r4a h GLU 106 Ca -0.00 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.70 1r4a h GLU 106 Cb 0.71 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.27 1r4a h GLU 106 CO -0.29 0.19 0.14 1.25 -1.16 0.00 0.00 179.01 179.14 1r4a h LEU 107 N 0.30 0.21 -0.45 1.33 5.85 -0.60 -1.41 115.31 120.55 1r4a h LEU 107 Ca 0.27 0.01 0.03 0.00 0.84 0.00 0.00 57.88 59.04 1r4a h LEU 107 Cb 0.35 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1r4a h LEU 107 CO -0.32 0.16 0.23 0.58 -0.34 0.00 0.00 178.44 178.75 1r4a h VAL 108 N 0.29 0.97 -0.24 1.05 2.07 0.29 -2.46 116.25 118.23 1r4a h VAL 108 Ca 0.11 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.49 1r4a h VAL 108 Cb 0.03 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1r4a h VAL 108 CO -0.07 0.08 0.12 0.00 0.02 0.00 0.00 177.57 177.72 1r4a h ALA 109 N 1.23 0.28 -0.37 1.67 0.00 -0.78 -3.02 119.26 118.28 1r4a h ALA 109 Ca 0.19 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1r4a h ALA 109 Cb 0.09 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1r4a h ALA 109 CO -0.13 -0.29 -0.04 0.00 0.00 0.00 0.00 179.25 178.80 1r4a h MET 110 N 0.25 0.59 0.00 0.00 -0.00 -1.09 -2.82 114.93 111.86 1r4a h MET 110 Ca 0.10 -0.15 -0.05 0.00 -0.00 0.00 0.00 59.70 59.60 1r4a h MET 110 Cb 0.02 -0.07 -0.01 0.00 -0.00 0.00 0.00 31.60 31.54 1r4a h MET 110 CO -0.07 0.64 -0.23 -0.07 -0.00 0.00 0.00 176.91 177.19 1r4a h LEU 111 N 0.56 0.00 -1.43 -0.10 3.38 -1.31 -1.96 115.31 114.45 1r4a h LEU 111 Ca 0.11 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1r4a h LEU 111 Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1r4a h LEU 111 CO 0.02 0.23 -0.29 -0.33 0.09 0.00 0.00 178.44 178.16 1r4a h GLU 112 N 0.00 0.00 -6.11 1.13 5.08 -1.45 -3.44 114.58 109.79 1r4a h GLU 112 Ca -0.00 0.00 -0.71 0.00 -1.00 0.00 0.00 59.36 57.65 1r4a h GLU 112 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1r4a h GLU 112 CO 0.03 0.29 1.09 -1.91 -1.00 0.00 0.00 179.01 177.51 1r4a n GLU 113 N -4.00 1.17 -0.20 2.33 4.07 -0.74 -4.85 120.64 118.42 1r4a n GLU 113 Ca -0.02 0.40 0.15 0.00 -0.06 0.00 0.00 57.16 57.63 1r4a n GLU 113 Cb 0.35 -2.22 0.47 0.00 -0.06 0.00 0.00 31.44 29.98 1r4a n GLU 113 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 1r4a h GLU 114 N 8.97 0.48 0.00 5.31 4.57 -1.88 -1.05 114.58 130.97 1r4a h GLU 114 Ca -0.39 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 1r4a h GLU 114 Cb 1.32 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1r4a h GLU 114 CO 0.99 0.31 0.00 0.39 -1.18 0.00 0.00 179.01 179.52 1r4a n GLU 115 N -4.50 0.02 -0.03 1.92 1.02 -1.26 -2.98 120.64 114.83 1r4a n GLU 115 Ca 0.15 0.22 0.07 0.00 -0.02 0.00 0.00 57.16 57.58 1r4a n GLU 115 Cb 0.52 -1.54 0.07 0.00 -0.02 0.00 0.00 31.44 30.47 1r4a n GLU 115 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1r4a n LEU 116 N -1.59 2.24 -0.31 -4.62 4.77 -0.40 -4.56 117.00 112.53 1r4a n LEU 116 Ca 0.04 -1.12 0.10 0.00 -0.03 0.00 0.00 56.01 55.00 1r4a n LEU 116 Cb 0.21 -0.03 0.22 0.00 -2.33 0.00 0.00 43.42 41.49 1r4a n LEU 116 CO 0.17 0.44 0.81 0.03 -1.33 0.00 0.00 177.39 177.50 1r4a h ARG 117 N 2.61 0.06 -0.14 3.23 2.47 -1.52 0.27 114.38 121.36 1r4a h ARG 117 Ca 0.00 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1r4a h ARG 117 Cb 0.59 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.89 1r4a h ARG 117 CO 0.00 0.04 0.00 1.63 0.56 0.00 0.00 179.97 182.20 1r4a n LYS 118 N -5.42 1.90 -2.43 0.04 4.76 -1.26 -4.92 118.16 110.83 1r4a n LYS 118 Ca 0.18 -1.34 -0.37 0.00 -2.87 0.00 0.00 58.31 53.92 1r4a n LYS 118 Cb 0.61 -1.44 -0.03 0.00 -1.84 0.00 0.00 35.03 32.33 1r4a n LYS 118 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1r4a s ALA 119 N -1.83 3.09 0.01 7.82 0.00 0.08 -4.98 121.76 125.94 1r4a s ALA 119 Ca 0.34 0.81 -0.12 0.00 0.00 0.00 0.00 51.96 52.99 1r4a s ALA 119 Cb 0.20 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.94 1r4a s ALA 119 CO 0.30 -0.37 0.37 0.96 0.00 0.00 0.00 175.76 177.01 1r4a s ILE 120 N -1.57 5.12 -0.13 0.00 -4.36 -0.60 -4.75 121.20 114.90 1r4a s ILE 120 Ca 0.58 0.62 -0.06 0.00 -0.26 0.00 0.00 60.65 61.54 1r4a s ILE 120 Cb -0.25 -3.65 -0.04 0.00 1.25 0.00 0.00 42.46 39.77 1r4a s ILE 120 CO 0.32 0.49 0.07 -0.22 0.24 0.00 0.00 174.94 175.84 1r4a s LEU 121 N -1.35 3.94 -0.11 0.37 2.96 -0.61 -2.26 118.68 121.61 1r4a s LEU 121 Ca 0.26 0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 54.39 1r4a s LEU 121 Cb -0.15 -1.95 0.03 0.00 0.50 0.00 0.00 46.19 44.62 1r4a s LEU 121 CO 0.14 0.32 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.76 1r4a s VAL 122 N -0.50 0.74 -0.18 1.68 1.01 -0.79 -2.93 120.40 119.44 1r4a s VAL 122 Ca 0.10 -0.22 -0.11 0.00 0.00 0.00 0.00 61.98 61.76 1r4a s VAL 122 Cb -0.12 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.32 1r4a s VAL 122 CO 0.02 0.23 0.18 -0.69 0.00 0.00 0.00 175.10 174.84 1r4a s VAL 123 N 1.81 5.38 -0.38 2.92 1.01 -0.44 -0.69 120.40 130.01 1r4a s VAL 123 Ca 0.04 0.30 -0.10 0.00 0.00 0.00 0.00 61.98 62.22 1r4a s VAL 123 Cb -0.13 -3.52 0.04 0.00 0.00 0.00 0.00 36.38 32.77 1r4a s VAL 123 CO -0.07 0.44 0.20 -0.36 0.00 0.00 0.00 175.10 175.30 1r4a s PHE 124 N 0.31 3.27 -1.05 5.22 2.99 -0.13 -1.23 117.98 127.36 1r4a s PHE 124 Ca 0.11 -1.20 -0.20 0.00 0.00 0.00 0.00 56.93 55.64 1r4a s PHE 124 Cb -0.12 -2.53 0.09 0.00 0.00 0.00 0.00 43.02 40.47 1r4a s PHE 124 CO 0.00 -0.72 1.39 0.00 -0.00 0.00 0.00 175.22 175.90 1r4a s ALA 125 N 1.49 3.11 0.52 5.36 0.00 0.91 -2.22 121.76 130.93 1r4a s ALA 125 Ca 0.01 -2.61 -0.06 0.00 0.00 0.00 0.00 51.96 49.31 1r4a s ALA 125 Cb -0.20 -4.37 -0.02 0.00 0.00 0.00 0.00 23.12 18.53 1r4a s ALA 125 CO 0.05 -3.31 0.83 1.21 0.00 0.00 0.00 175.76 174.54 1r4a s ASN 126 N 4.28 6.08 -0.30 0.00 2.47 -0.89 -0.87 114.94 125.71 1r4a s ASN 126 Ca 0.43 0.90 -0.00 0.00 0.42 0.00 0.00 52.86 54.60 1r4a s ASN 126 Cb -0.01 -2.11 0.00 0.00 -1.45 0.00 0.00 41.25 37.68 1r4a s ASN 126 CO -0.06 -0.73 0.04 0.29 -3.72 0.00 0.00 177.10 172.92 1r4a n LYS 127 N -2.38 -0.50 0.00 0.43 5.02 -0.60 -1.40 118.16 118.74 1r4a n LYS 127 Ca 0.02 0.17 0.09 0.00 -2.02 0.00 0.00 58.31 56.57 1r4a n LYS 127 Cb 0.56 -3.73 0.46 0.00 -0.02 0.00 0.00 35.03 32.29 1r4a n LYS 127 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1r4a n GLN 128 N -1.34 0.29 0.00 1.97 1.13 -0.49 -2.03 117.38 116.92 1r4a n GLN 128 Ca -0.03 0.11 0.13 0.00 -1.94 0.00 0.00 57.00 55.26 1r4a n GLN 128 Cb 0.53 -1.50 0.58 0.00 0.11 0.00 0.00 30.24 29.96 1r4a n GLN 128 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1r4a n ASP 129 N -1.25 0.00 -4.71 1.08 5.75 -1.26 -4.74 116.55 111.41 1r4a n ASP 129 Ca 0.09 0.38 -0.39 0.00 -0.01 0.00 0.00 54.79 54.86 1r4a n ASP 129 Cb 0.13 -0.46 -0.06 0.00 -1.03 0.00 0.00 41.12 39.71 1r4a n ASP 129 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1r4a s MET 130 N -2.91 4.35 0.25 0.11 -1.94 -0.86 -4.98 119.30 113.32 1r4a s MET 130 Ca 0.15 0.57 -0.04 0.00 -1.71 0.00 0.00 55.69 54.66 1r4a s MET 130 Cb 0.17 -3.46 0.49 0.00 2.01 0.00 0.00 34.83 34.05 1r4a s MET 130 CO 0.46 0.09 1.68 0.93 -0.01 0.00 0.00 175.02 178.17 1r4a h GLU 131 N 6.83 0.26 0.00 2.03 5.08 -1.89 -1.76 114.58 125.12 1r4a h GLU 131 Ca -0.40 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1r4a h GLU 131 Cb 1.18 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1r4a h GLU 131 CO 0.76 0.17 0.00 1.04 -1.00 0.00 0.00 179.01 179.98 1r4a n GLN 132 N -5.16 0.95 -2.31 2.33 1.13 -1.26 -4.90 117.38 108.16 1r4a n GLN 132 Ca 0.15 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.79 1r4a n GLN 132 Cb 0.49 -1.06 -0.03 0.00 0.11 0.00 0.00 30.24 29.75 1r4a n GLN 132 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1r4a s ALA 133 N -2.00 3.50 0.73 -1.58 0.00 -0.67 -4.68 121.76 117.06 1r4a s ALA 133 Ca 0.05 0.92 -0.13 0.00 0.00 0.00 0.00 51.96 52.80 1r4a s ALA 133 Cb 0.02 -3.51 0.04 0.00 0.00 0.00 0.00 23.12 19.67 1r4a s ALA 133 CO 0.04 -0.60 1.13 0.00 0.00 0.00 0.00 175.76 176.32 1r4a s MET 134 N 1.41 2.35 0.59 0.00 0.23 -0.85 -4.95 119.30 118.08 1r4a s MET 134 Ca 0.61 1.42 -0.16 0.00 -1.03 0.00 0.00 55.69 56.54 1r4a s MET 134 Cb -0.32 -1.89 -0.04 0.00 -1.53 0.00 0.00 34.83 31.05 1r4a s MET 134 CO 0.28 -1.60 1.05 0.95 -2.03 0.00 0.00 175.02 173.67 1r4a s THR 135 N -2.45 3.93 0.45 3.16 -4.23 -1.26 -4.92 115.64 110.32 1r4a s THR 135 Ca 0.67 0.90 0.17 0.00 -1.18 0.00 0.00 61.69 62.25 1r4a s THR 135 Cb -0.21 -3.44 0.36 0.00 1.34 0.00 0.00 72.50 70.54 1r4a s THR 135 CO 0.48 -0.55 1.95 -0.65 -0.54 0.00 0.00 174.62 175.30 1r4a h PRO 136 N 0.45 0.33 -0.08 3.99 0.11 -1.96 -2.06 132.00 132.78 1r4a h PRO 136 Ca -0.47 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 1r4a h PRO 136 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1r4a h PRO 136 CO 0.58 0.22 -0.30 0.77 -0.21 0.00 0.00 178.00 179.06 1r4a h SER 137 N 0.34 0.40 -0.28 -2.05 0.02 -1.99 -2.21 113.55 107.78 1r4a h SER 137 Ca 0.33 -0.62 0.03 0.00 -0.84 0.00 0.00 61.79 60.68 1r4a h SER 137 Cb 0.80 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.20 1r4a h SER 137 CO -0.09 0.96 0.10 -0.33 -1.14 0.00 0.00 176.83 176.33 1r4a h GLU 138 N -0.13 0.22 0.03 3.45 5.08 -1.82 -2.33 114.58 119.09 1r4a h GLU 138 Ca -0.01 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1r4a h GLU 138 Cb 0.93 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1r4a h GLU 138 CO 0.06 0.15 -0.02 1.98 -1.00 0.00 0.00 179.01 180.18 1r4a h MET 139 N 0.23 -0.04 -0.69 2.33 4.05 -1.44 0.79 114.93 120.16 1r4a h MET 139 Ca 0.12 0.00 0.12 0.00 -0.28 0.00 0.00 59.70 59.66 1r4a h MET 139 Cb 0.08 0.01 -0.08 0.00 -0.80 0.00 0.00 31.60 30.81 1r4a h MET 139 CO -0.12 -0.02 0.27 0.00 0.23 0.00 0.00 176.91 177.28 1r4a h ALA 140 N 0.91 0.93 -0.39 0.39 0.00 -1.27 0.21 119.26 120.03 1r4a h ALA 140 Ca -0.00 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1r4a h ALA 140 Cb 0.05 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1r4a h ALA 140 CO 0.01 -0.19 -0.27 -0.91 0.00 0.00 0.00 179.25 177.89 1r4a h ASN 141 N 0.44 0.92 0.63 0.00 2.35 -1.20 -0.82 115.58 117.90 1r4a h ASN 141 Ca 0.36 -0.43 -0.04 0.00 -0.55 0.00 0.00 56.30 55.64 1r4a h ASN 141 Cb 0.50 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1r4a h ASN 141 CO -0.35 1.15 -0.17 0.00 -1.65 0.00 0.00 177.43 176.41 1r4a h ALA 142 N 0.79 1.15 -0.01 -0.83 0.00 0.35 -2.50 119.26 118.21 1r4a h ALA 142 Ca 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1r4a h ALA 142 Cb 0.85 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1r4a h ALA 142 CO 0.07 0.21 -0.56 1.28 0.00 0.00 0.00 179.25 180.26 1r4a n LEU 143 N -3.51 1.26 -0.00 0.00 4.77 0.61 -4.92 117.00 115.22 1r4a n LEU 143 Ca -0.01 -0.44 -0.00 0.00 -0.03 0.00 0.00 56.01 55.53 1r4a n LEU 143 Cb 0.33 -0.07 -0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1r4a n LEU 143 CO 0.31 0.26 -0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1r4a n GLY 144 N 1.43 0.46 0.32 -0.72 0.00 -0.82 -4.93 105.19 100.93 1r4a n GLY 144 Ca 0.08 -0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.20 1r4a n GLY 144 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1r4a h LEU 145 N 0.00 0.44 -2.10 0.99 3.38 -1.44 -0.94 115.31 115.64 1r4a h LEU 145 Ca -0.00 0.14 0.08 0.00 0.09 0.00 0.00 57.88 58.19 1r4a h LEU 145 Cb 0.07 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1r4a h LEU 145 CO 0.00 0.05 0.32 -0.65 0.09 0.00 0.00 178.44 178.25 1r4a h PRO 146 N 0.47 0.00 0.00 1.13 0.11 -1.92 -1.50 132.00 130.29 1r4a h PRO 146 Ca 0.57 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.55 1r4a h PRO 146 Cb 1.06 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1r4a h PRO 146 CO -0.50 0.00 -0.78 0.00 -0.21 0.00 0.00 178.00 176.51 1r4a h ALA 147 N 1.62 0.65 -0.81 -0.75 0.00 -1.54 -3.46 119.26 114.96 1r4a h ALA 147 Ca 0.13 -0.58 -0.78 0.00 0.00 0.00 0.00 54.91 53.68 1r4a h ALA 147 Cb 0.77 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1r4a h ALA 147 CO -0.00 0.73 1.06 1.28 0.00 0.00 0.00 179.25 182.31 1r4a n LEU 148 N -3.13 1.48 -4.85 0.00 7.99 -0.57 -4.94 117.00 112.97 1r4a n LEU 148 Ca -0.01 0.88 -0.28 0.00 -0.01 0.00 0.00 56.01 56.58 1r4a n LEU 148 Cb 0.77 -1.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.03 1r4a n LEU 148 CO 0.42 -0.70 -0.19 -1.59 -1.51 0.00 0.00 177.39 173.81 1r4a s LYS 149 N 4.60 3.13 -1.56 3.23 0.00 -1.26 -4.38 119.74 123.50 1r4a s LYS 149 Ca 1.09 -0.67 0.00 0.00 0.00 0.00 0.00 55.97 56.39 1r4a s LYS 149 Cb -1.30 -2.82 0.00 0.00 0.00 0.00 0.00 37.83 33.70 1r4a s LYS 149 CO 0.68 0.54 0.00 -0.25 0.00 0.00 0.00 175.35 176.32 1r4a n ASP 150 N -0.02 -4.32 -4.16 0.03 8.00 -1.26 -4.93 116.55 109.89 1r4a n ASP 150 Ca -0.07 0.30 -0.33 0.00 0.71 0.00 0.00 54.79 55.40 1r4a n ASP 150 Cb 0.53 -3.83 -0.16 0.00 -0.02 0.00 0.00 41.12 37.64 1r4a n ASP 150 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1r4a s ARG 151 N -3.88 3.04 -0.49 -1.24 1.81 -1.26 -5.02 118.95 111.91 1r4a s ARG 151 Ca 0.00 -0.82 -0.23 0.00 -1.72 0.00 0.00 55.73 52.96 1r4a s ARG 151 Cb 0.00 -2.56 0.03 0.00 -0.45 0.00 0.00 34.95 31.98 1r4a s ARG 151 CO 0.00 -0.13 0.82 0.15 -0.68 0.00 0.00 175.30 175.46 1r4a s LYS 152 N 1.11 3.36 0.31 3.54 1.02 -1.26 -5.00 119.74 122.82 1r4a s LYS 152 Ca 0.00 -0.21 0.06 0.00 0.02 0.00 0.00 55.97 55.84 1r4a s LYS 152 Cb -0.14 -3.99 -0.03 0.00 -0.52 0.00 0.00 37.83 33.15 1r4a s LYS 152 CO -0.08 -1.24 0.25 1.67 -0.92 0.00 0.00 175.35 175.03 1r4a s TRP 153 N 3.45 1.65 -0.23 3.18 1.48 -1.26 -1.58 118.94 125.64 1r4a s TRP 153 Ca 0.29 -1.61 -0.29 0.00 -1.06 0.00 0.00 56.10 53.43 1r4a s TRP 153 Cb -0.13 -0.68 0.15 0.00 -1.16 0.00 0.00 33.47 31.65 1r4a s TRP 153 CO 0.21 -0.83 1.15 -1.14 -4.06 0.00 0.00 176.95 172.27 1r4a s GLN 154 N -3.58 0.38 -0.06 3.25 2.00 -1.15 -5.01 119.66 115.50 1r4a s GLN 154 Ca 0.40 0.17 0.05 0.00 -2.00 0.00 0.00 55.36 53.98 1r4a s GLN 154 Cb 0.03 0.18 -0.02 0.00 0.80 0.00 0.00 33.01 34.01 1r4a s GLN 154 CO 0.25 -0.10 -0.22 -1.50 -0.50 0.00 0.00 175.29 173.22 1r4a s ILE 155 N -0.77 2.37 0.01 -2.34 2.07 -1.26 -1.32 121.20 119.96 1r4a s ILE 155 Ca 0.03 -0.96 0.05 0.00 -1.41 0.00 0.00 60.65 58.36 1r4a s ILE 155 Cb -0.02 -1.89 -0.02 0.00 0.13 0.00 0.00 42.46 40.67 1r4a s ILE 155 CO -0.04 0.57 -0.14 -0.36 -1.91 0.00 0.00 174.94 173.06 1r4a s PHE 156 N -0.29 1.25 -0.06 3.50 0.40 -0.37 -4.98 117.98 117.44 1r4a s PHE 156 Ca 0.01 -0.29 -0.17 0.00 -0.60 0.00 0.00 56.93 55.87 1r4a s PHE 156 Cb -0.13 -0.78 -0.05 0.00 0.51 0.00 0.00 43.02 42.57 1r4a s PHE 156 CO 0.03 0.01 0.47 -1.59 0.70 0.00 0.00 175.22 174.84 1r4a s LYS 157 N -0.68 4.22 0.24 0.44 -2.85 -1.26 -0.06 119.74 119.77 1r4a s LYS 157 Ca 0.04 0.48 0.01 0.00 -1.00 0.00 0.00 55.97 55.50 1r4a s LYS 157 Cb -0.06 -3.36 -0.05 0.00 -2.06 0.00 0.00 37.83 32.30 1r4a s LYS 157 CO 0.00 0.36 0.09 0.95 0.10 0.00 0.00 175.35 176.85 1r4a s THR 158 N -0.04 0.44 -0.21 3.79 -4.23 -0.05 -4.41 115.64 110.93 1r4a s THR 158 Ca 0.26 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.74 1r4a s THR 158 Cb -0.16 -2.55 0.10 0.00 1.34 0.00 0.00 72.50 71.23 1r4a s THR 158 CO 0.12 -0.05 0.27 -0.55 -0.54 0.00 0.00 174.62 173.87 1r4a s SER 159 N -3.26 0.93 0.20 3.99 0.15 -0.25 -1.39 113.70 114.06 1r4a s SER 159 Ca 0.36 -0.01 -0.02 0.00 0.70 0.00 0.00 55.95 56.99 1r4a s SER 159 Cb 0.07 0.64 0.13 0.00 -1.71 0.00 0.00 66.02 65.16 1r4a s SER 159 CO 0.12 -0.31 1.51 0.00 1.20 0.00 0.00 173.24 175.76 1r4a h ALA 160 N 8.27 0.72 0.06 5.45 0.00 -1.94 0.53 119.26 132.35 1r4a h ALA 160 Ca -0.18 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.22 1r4a h ALA 160 Cb 1.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1r4a h ALA 160 CO 0.27 0.69 -0.03 1.79 0.00 0.00 0.00 179.25 181.97 1r4a h THR 161 N 0.39 1.23 0.00 0.00 1.35 -1.96 -3.27 112.91 110.65 1r4a h THR 161 Ca 0.01 -1.49 0.00 0.00 -0.55 0.00 0.00 66.41 64.38 1r4a h THR 161 Cb 1.09 2.14 0.00 0.00 -1.73 0.00 0.00 68.15 69.65 1r4a h THR 161 CO 0.10 0.34 0.00 0.11 -0.25 0.00 0.00 175.52 175.83 1r4a h LYS 162 N -0.81 0.00 -0.78 4.72 1.79 -1.99 -3.47 116.57 116.03 1r4a h LYS 162 Ca -0.01 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.34 1r4a h LYS 162 Cb 0.63 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.26 1r4a h LYS 162 CO 0.01 0.00 -0.15 0.41 -1.08 0.00 0.00 179.45 178.64 1r4a n GLY 163 N 0.72 0.26 3.89 3.86 0.00 0.18 -5.04 105.19 109.05 1r4a n GLY 163 Ca 0.03 -0.65 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 1r4a n GLY 163 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r4a s THR 164 N -2.30 5.31 0.00 2.61 -4.23 -0.70 -4.41 115.64 111.93 1r4a s THR 164 Ca 0.00 -0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.27 1r4a s THR 164 Cb 0.00 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.35 1r4a s THR 164 CO 0.00 0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.99 1r4a n GLY 165 N 0.87 1.88 0.08 3.99 0.00 -1.26 -1.09 105.19 109.65 1r4a n GLY 165 Ca -0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 1r4a n GLY 165 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1r4a h LEU 166 N 0.00 0.11 -1.11 0.99 3.38 -1.87 -2.93 115.31 113.89 1r4a h LEU 166 Ca 0.00 -0.67 0.07 0.00 0.09 0.00 0.00 57.88 57.37 1r4a h LEU 166 Cb 0.00 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.66 1r4a h LEU 166 CO 0.00 0.76 0.61 0.44 0.09 0.00 0.00 178.44 180.34 1r4a h ASP 167 N -0.54 0.94 -0.04 -0.43 3.32 -1.91 -0.19 116.42 117.56 1r4a h ASP 167 Ca -0.01 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1r4a h ASP 167 Cb 0.76 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 1r4a h ASP 167 CO 0.02 0.59 0.02 -0.33 -1.72 0.00 0.00 179.24 177.82 1r4a h GLU 168 N 1.06 0.07 -0.56 3.56 3.07 -1.99 -1.48 114.58 118.31 1r4a h GLU 168 Ca 0.41 -0.01 0.02 0.00 -0.50 0.00 0.00 59.36 59.27 1r4a h GLU 168 Cb 0.21 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.08 1r4a h GLU 168 CO -0.16 0.22 0.35 0.00 -1.40 0.00 0.00 179.01 178.02 1r4a h ALA 169 N 0.84 0.72 -0.43 3.43 0.00 -1.21 -1.70 119.26 120.91 1r4a h ALA 169 Ca 0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1r4a h ALA 169 Cb 0.18 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1r4a h ALA 169 CO -0.00 0.09 0.16 0.52 0.00 0.00 0.00 179.25 180.02 1r4a h MET 170 N 0.70 0.62 -0.15 0.00 2.86 -0.94 -0.78 114.93 117.24 1r4a h MET 170 Ca 0.22 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 1r4a h MET 170 Cb -0.01 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 1r4a h MET 170 CO -0.08 0.52 0.06 0.93 1.06 0.00 0.00 176.91 179.40 1r4a h GLU 171 N 0.61 0.22 -0.66 1.72 4.39 -0.50 -0.05 114.58 120.31 1r4a h GLU 171 Ca 0.15 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.74 1r4a h GLU 171 Cb 0.14 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.73 1r4a h GLU 171 CO -0.01 0.31 0.13 2.35 -1.16 0.00 0.00 179.01 180.62 1r4a h TRP 172 N 0.08 1.14 -0.05 4.33 7.01 -0.90 -1.84 115.95 125.72 1r4a h TRP 172 Ca 0.05 -0.14 -0.01 0.00 2.11 0.00 0.00 58.89 60.89 1r4a h TRP 172 Cb 0.17 -0.32 -0.00 0.00 -2.10 0.00 0.00 29.16 26.91 1r4a h TRP 172 CO -0.01 0.94 -0.02 1.25 -2.79 0.00 0.00 178.44 177.81 1r4a h LEU 173 N 1.02 0.11 -0.49 0.65 5.85 -1.04 -1.24 115.31 120.16 1r4a h LEU 173 Ca 0.21 -0.40 0.03 0.00 0.84 0.00 0.00 57.88 58.56 1r4a h LEU 173 Cb 0.41 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 1r4a h LEU 173 CO 0.01 0.48 0.27 0.58 -0.34 0.00 0.00 178.44 179.45 1r4a h VAL 174 N -0.26 1.01 -0.18 1.05 2.07 -0.93 -2.52 116.25 116.49 1r4a h VAL 174 Ca 0.01 -0.19 -0.22 0.00 0.82 0.00 0.00 66.70 67.13 1r4a h VAL 174 Cb 0.44 0.42 0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1r4a h VAL 174 CO 0.01 0.10 -0.75 -0.33 0.02 0.00 0.00 177.57 176.62 1r4a h GLU 175 N 0.54 0.82 -0.05 1.57 5.08 -1.37 -2.39 114.58 118.78 1r4a h GLU 175 Ca 0.21 -0.64 0.01 0.00 -1.00 0.00 0.00 59.36 57.93 1r4a h GLU 175 Cb 0.07 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1r4a h GLU 175 CO -0.12 1.25 -0.02 1.15 -1.00 0.00 0.00 179.01 180.28 1r4a h THR 176 N 0.57 0.94 0.00 1.13 2.02 -1.12 -2.73 112.91 113.71 1r4a h THR 176 Ca -0.04 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.10 1r4a h THR 176 Cb 1.38 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.72 1r4a h THR 176 CO 0.16 0.00 -0.19 0.17 0.37 0.00 0.00 175.52 176.02 1r4a h LEU 177 N -0.00 0.00 -1.94 2.58 8.10 -1.52 -2.30 115.31 120.23 1r4a h LEU 177 Ca 0.03 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.00 1r4a h LEU 177 Cb 0.04 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.26 1r4a h LEU 177 CO -0.06 0.19 -0.06 0.11 -4.11 0.00 0.00 178.44 174.51 1r4a h LYS 178 N 0.00 0.00 0.00 0.17 1.57 -1.12 -3.29 116.57 113.89 1r4a h LYS 178 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1r4a h LYS 178 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1r4a h LYS 178 CO 0.02 0.06 0.00 0.43 -0.57 0.00 0.00 179.45 179.39 1r4a n SER 179 N -3.30 0.00 0.00 0.86 7.64 -0.87 -5.10 113.62 112.85 1r4a n SER 179 Ca -0.01 0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1r4a n SER 179 Cb 0.24 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 1r4a n SER 179 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89