#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 0.42 -0.14 0.41 -1.26 -4.77 118.70 116.36 1r4a s GLU 17 Ca 0.00 -0.99 -0.12 0.00 -0.41 0.00 0.00 54.97 53.45 1r4a s GLU 17 Cb 0.00 -3.93 -0.07 0.00 -1.78 0.00 0.00 34.13 28.35 1r4a s GLU 17 CO 0.00 -0.71 0.81 -1.64 -0.49 0.00 0.00 175.26 173.23 1r4a s MET 18 N 1.67 3.84 -0.09 1.61 -1.94 -1.18 -4.89 119.30 118.31 1r4a s MET 18 Ca 0.05 0.59 0.03 0.00 -1.71 0.00 0.00 55.69 54.65 1r4a s MET 18 Cb -0.19 -2.34 -0.01 0.00 2.01 0.00 0.00 34.83 34.30 1r4a s MET 18 CO 0.10 -0.06 -0.19 -0.98 -0.01 0.00 0.00 175.02 173.87 1r4a s ARG 19 N -3.79 2.95 0.00 2.03 1.70 -1.26 -1.22 118.95 119.37 1r4a s ARG 19 Ca 0.53 -0.80 0.08 0.00 -0.47 0.00 0.00 55.73 55.07 1r4a s ARG 19 Cb -0.10 -2.38 -0.02 0.00 -0.57 0.00 0.00 34.95 31.87 1r4a s ARG 19 CO 0.29 0.31 -0.25 0.42 -1.08 0.00 0.00 175.30 175.00 1r4a s ILE 20 N 0.06 2.22 -0.10 4.99 1.01 0.53 -1.51 121.20 128.41 1r4a s ILE 20 Ca -0.08 -1.17 0.00 0.00 0.00 0.00 0.00 60.65 59.40 1r4a s ILE 20 Cb -0.15 -1.82 -0.02 0.00 0.01 0.00 0.00 42.46 40.47 1r4a s ILE 20 CO 0.05 0.49 -0.10 -0.76 0.00 0.00 0.00 174.94 174.63 1r4a s LEU 21 N -0.88 2.92 -0.39 2.97 1.43 -0.73 -0.97 118.68 123.03 1r4a s LEU 21 Ca 0.11 -0.19 -0.07 0.00 -1.03 0.00 0.00 54.13 52.95 1r4a s LEU 21 Cb -0.10 -1.65 0.08 0.00 0.03 0.00 0.00 46.19 44.55 1r4a s LEU 21 CO 0.01 0.26 0.20 -0.63 0.23 0.00 0.00 176.35 176.41 1r4a s ILE 22 N -0.18 3.87 0.40 -0.59 1.01 0.09 -1.09 121.20 124.70 1r4a s ILE 22 Ca 0.01 -1.48 0.08 0.00 0.00 0.00 0.00 60.65 59.26 1r4a s ILE 22 Cb -0.13 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 1r4a s ILE 22 CO 0.03 -0.46 0.21 -0.76 0.00 0.00 0.00 174.94 173.96 1r4a s LEU 23 N 1.35 3.20 0.00 2.97 1.43 -0.85 -3.11 118.68 123.68 1r4a s LEU 23 Ca 0.03 -0.95 0.00 0.00 -1.03 0.00 0.00 54.13 52.18 1r4a s LEU 23 Cb -0.22 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.38 1r4a s LEU 23 CO 0.01 -0.51 0.00 0.61 0.23 0.00 0.00 176.35 176.69 1r4a n GLY 24 N -1.28 3.83 3.64 -3.19 0.00 -1.26 -1.27 105.19 105.66 1r4a n GLY 24 Ca -0.01 -1.46 -0.31 0.00 0.00 0.00 0.00 46.02 44.25 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 2.50 0.38 0.99 1.43 -1.26 -4.24 118.68 118.47 1r4a s LEU 25 Ca 0.00 2.10 -0.28 0.00 -1.03 0.00 0.00 54.13 54.92 1r4a s LEU 25 Cb 0.00 -4.38 -0.10 0.00 0.03 0.00 0.00 46.19 41.73 1r4a s LEU 25 CO 0.00 -3.34 1.44 1.51 0.23 0.00 0.00 176.35 176.19 1r4a s ASP 26 N -2.61 6.36 0.00 2.29 -4.77 -1.06 -2.70 116.67 114.18 1r4a s ASP 26 Ca 0.67 2.95 0.00 0.00 -3.30 0.00 0.00 52.55 52.87 1r4a s ASP 26 Cb -0.23 -2.66 0.00 0.00 -1.09 0.00 0.00 42.92 38.93 1r4a s ASP 26 CO 0.59 -0.85 0.00 0.61 0.70 0.00 0.00 175.17 176.22 1r4a n GLY 27 N 0.54 0.68 0.13 2.12 0.00 -1.26 -4.93 105.19 102.46 1r4a n GLY 27 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 0.86 0.00 4.61 0.00 -1.85 -3.47 119.26 119.42 1r4a h ALA 28 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1r4a h ALA 28 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1r4a h ALA 28 CO 0.00 0.84 0.00 0.41 0.00 0.00 0.00 179.25 180.50 1r4a n GLY 29 N 0.45 1.59 0.12 0.00 0.00 -1.26 -4.53 105.19 101.56 1r4a n GLY 29 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 0.14 0.11 -0.56 1.61 1.57 -1.91 -1.98 116.57 115.55 1r4a h LYS 30 Ca 0.00 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1r4a h LYS 30 Cb 0.00 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1r4a h LYS 30 CO 0.00 0.07 -0.04 1.15 -0.57 0.00 0.00 179.45 180.06 1r4a h THR 31 N 0.11 1.26 -0.54 -0.16 2.02 -1.96 -2.08 112.91 111.57 1r4a h THR 31 Ca 0.11 -1.17 -0.02 0.00 0.77 0.00 0.00 66.41 66.10 1r4a h THR 31 Cb 0.12 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 1r4a h THR 31 CO -0.16 0.42 0.23 0.74 0.37 0.00 0.00 175.52 177.12 1r4a h THR 32 N 0.90 1.19 -0.33 3.16 2.02 -1.91 -2.56 112.91 115.37 1r4a h THR 32 Ca 0.16 -0.57 -0.08 0.00 0.77 0.00 0.00 66.41 66.69 1r4a h THR 32 Cb 0.58 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 1r4a h THR 32 CO 0.03 0.23 -0.10 0.40 0.37 0.00 0.00 175.52 176.45 1r4a h ILE 33 N 0.76 1.28 -0.17 3.11 2.04 -1.02 -1.97 117.51 121.54 1r4a h ILE 33 Ca 0.19 -1.17 0.05 0.00 1.00 0.00 0.00 64.86 64.92 1r4a h ILE 33 Cb 0.12 1.37 -0.06 0.00 -0.74 0.00 0.00 36.82 37.51 1r4a h ILE 33 CO -0.02 0.38 -0.18 0.25 0.00 0.00 0.00 178.15 178.58 1r4a h LEU 34 N 0.42 -0.57 -0.55 1.44 5.85 -0.99 -1.19 115.31 119.72 1r4a h LEU 34 Ca 0.08 0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 1r4a h LEU 34 Cb 0.61 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 1r4a h LEU 34 CO 0.04 -0.23 -0.25 1.88 -0.34 0.00 0.00 178.44 179.54 1r4a h TYR 35 N -0.21 0.00 -0.46 1.25 -1.99 -1.54 -2.43 116.97 111.59 1r4a h TYR 35 Ca 0.11 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.79 1r4a h TYR 35 Cb 0.38 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.08 1r4a h TYR 35 CO -0.31 0.25 0.08 -0.09 -0.00 0.00 0.00 178.16 178.08 1r4a h ARG 36 N 0.00 0.71 -6.23 4.88 9.65 -0.80 -3.34 114.38 119.24 1r4a h ARG 36 Ca -0.00 -0.15 -0.56 0.00 -1.10 0.00 0.00 59.98 58.17 1r4a h ARG 36 Cb 0.98 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 29.42 1r4a h ARG 36 CO 0.03 0.67 0.52 -0.51 2.80 0.00 0.00 179.97 183.48 1r4a s LEU 37 N -9.23 4.25 -0.58 3.80 1.43 -0.50 -3.95 118.68 113.90 1r4a s LEU 37 Ca -0.09 1.50 -0.03 0.00 -1.03 0.00 0.00 54.13 54.48 1r4a s LEU 37 Cb 0.15 -3.51 -0.04 0.00 0.03 0.00 0.00 46.19 42.83 1r4a s LEU 37 CO 0.79 -0.42 0.51 1.67 0.23 0.00 0.00 176.35 179.13 1r4a n GLN 38 N 4.90 -1.23 0.00 1.70 -0.06 -1.26 -4.89 117.38 116.54 1r4a n GLN 38 Ca 0.08 0.57 0.00 0.00 -2.00 0.00 0.00 57.00 55.65 1r4a n GLN 38 Cb 0.49 -3.99 0.00 0.00 -4.06 0.00 0.00 30.24 22.68 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 -2.36 0.00 0.00 1.69 0.31 -1.25 -4.98 118.33 111.74 1r4a n VAL 39 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1r4a n VAL 39 Cb 0.56 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 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 -1.64 -0.55 0.00 2.92 0.00 -1.26 -4.68 105.19 99.98 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 -3.34 1.61 0.00 -1.26 -4.44 120.64 113.21 1r4a n GLU 41 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 57.03 1r4a n GLU 41 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.37 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 0.00 -0.48 -1.28 6.31 1.01 -1.26 -5.01 120.40 119.70 1r4a s VAL 42 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1r4a s VAL 42 Cb 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.67 1r4a s VAL 42 CO 0.00 -0.44 0.12 0.52 0.00 0.00 0.00 175.10 175.30 1r4a n VAL 43 N 4.63 0.00 -1.55 2.92 0.31 -1.26 -4.63 118.33 118.76 1r4a n VAL 43 Ca 0.07 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.11 1r4a n VAL 43 Cb 0.47 -0.18 -0.06 0.00 -0.91 0.00 0.00 33.84 33.16 1r4a n VAL 43 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1r4a n THR 44 N 0.15 -0.05 -4.04 2.52 -1.04 -1.26 -4.77 114.28 105.79 1r4a n THR 44 Ca 0.00 -0.64 -0.10 0.00 -2.04 0.00 0.00 64.05 61.27 1r4a n THR 44 Cb 0.03 -2.26 -0.11 0.00 -1.82 0.00 0.00 70.33 66.17 1r4a n THR 44 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1r4a s THR 45 N 12.23 0.32 0.10 12.58 -1.32 -1.26 -5.10 115.64 133.18 1r4a s THR 45 Ca 1.01 -1.18 0.02 0.00 -1.21 0.00 0.00 61.69 60.33 1r4a s THR 45 Cb -0.28 -0.67 -0.04 0.00 -1.51 0.00 0.00 72.50 69.99 1r4a s THR 45 CO 0.24 -0.56 -0.07 0.27 -2.21 0.00 0.00 174.62 172.29 1r4a s ILE 46 N -1.96 0.71 0.13 5.08 -4.36 -1.26 -5.11 121.20 114.43 1r4a s ILE 46 Ca -0.08 -1.85 -0.35 0.00 -0.26 0.00 0.00 60.65 58.10 1r4a s ILE 46 Cb -0.06 -1.58 -0.16 0.00 1.25 0.00 0.00 42.46 41.91 1r4a s ILE 46 CO -0.02 -0.81 1.37 -2.65 0.24 0.00 0.00 174.94 173.07 1r4a n PRO 47 N 0.11 1.43 -2.78 0.37 -0.02 -1.26 -4.87 135.00 127.98 1r4a n PRO 47 Ca -0.13 0.51 -0.43 0.00 -2.02 0.00 0.00 63.50 61.44 1r4a n PRO 47 Cb 0.60 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.89 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 0.43 4.29 -1.27 3.45 2.01 -1.26 -4.91 115.64 118.38 1r4a s THR 48 Ca 0.80 -0.73 -0.09 0.00 0.31 0.00 0.00 61.69 61.99 1r4a s THR 48 Cb -0.86 -4.82 0.18 0.00 0.01 0.00 0.00 72.50 67.01 1r4a s THR 48 CO 0.46 -1.63 1.89 -0.38 -0.69 0.00 0.00 174.62 174.27 1r4a n ILE 49 N 6.04 4.50 0.00 1.82 5.41 -1.26 -3.97 119.36 131.90 1r4a n ILE 49 Ca 0.13 -4.51 0.00 0.00 1.00 0.00 0.00 62.75 59.37 1r4a n ILE 49 Cb 0.48 -2.31 0.00 0.00 -0.71 0.00 0.00 39.64 37.10 1r4a n ILE 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1r4a n GLY 50 N 2.58 -0.28 3.76 7.39 0.00 -1.26 -5.07 105.19 112.31 1r4a n GLY 50 Ca 0.40 0.01 -0.04 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.15 0.03 1.61 -0.12 -1.26 -2.32 117.98 115.76 1r4a s PHE 51 Ca 0.00 -0.18 0.01 0.00 -0.05 0.00 0.00 56.93 56.72 1r4a s PHE 51 Cb 0.00 0.65 -0.02 0.00 -0.63 0.00 0.00 43.02 43.02 1r4a s PHE 51 CO 0.00 -0.89 -0.06 -0.80 -0.05 0.00 0.00 175.22 173.43 1r4a s ASN 52 N -2.92 0.63 0.01 1.98 0.01 -0.75 -5.00 114.94 108.89 1r4a s ASN 52 Ca 0.12 -0.46 0.01 0.00 -0.71 0.00 0.00 52.86 51.82 1r4a s ASN 52 Cb -0.02 0.04 -0.01 0.00 0.41 0.00 0.00 41.25 41.67 1r4a s ASN 52 CO 0.03 -0.19 -0.03 -0.69 -1.51 0.00 0.00 177.10 174.71 1r4a s VAL 53 N -1.19 0.21 -0.04 1.60 1.01 -1.26 -0.63 120.40 120.10 1r4a s VAL 53 Ca -0.10 -0.37 -0.21 0.00 0.00 0.00 0.00 61.98 61.30 1r4a s VAL 53 Cb -0.09 -0.24 0.04 0.00 0.00 0.00 0.00 36.38 36.10 1r4a s VAL 53 CO -0.00 -0.11 0.45 -0.70 0.00 0.00 0.00 175.10 174.74 1r4a s GLU 54 N -0.51 0.80 -0.13 2.72 2.56 -0.78 -5.01 118.70 118.34 1r4a s GLU 54 Ca -0.04 0.02 -0.17 0.00 0.00 0.00 0.00 54.97 54.78 1r4a s GLU 54 Cb -0.04 0.37 -0.04 0.00 2.00 0.00 0.00 34.13 36.42 1r4a s GLU 54 CO -0.00 -0.23 0.43 0.99 -0.56 0.00 0.00 175.26 175.89 1r4a s THR 55 N -1.18 5.22 0.00 -1.70 2.01 -1.26 -1.58 115.64 117.15 1r4a s THR 55 Ca -0.12 0.84 0.05 0.00 0.31 0.00 0.00 61.69 62.77 1r4a s THR 55 Cb -0.03 -3.77 -0.01 0.00 0.01 0.00 0.00 72.50 68.70 1r4a s THR 55 CO 0.06 0.34 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.49 1r4a s VAL 56 N 0.62 1.15 -0.12 3.82 1.01 0.16 -4.97 120.40 122.07 1r4a s VAL 56 Ca 0.23 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.50 1r4a s VAL 56 Cb -0.15 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.26 1r4a s VAL 56 CO 0.08 0.23 -0.21 0.42 0.00 0.00 0.00 175.10 175.63 1r4a s THR 57 N -0.49 1.89 0.00 3.92 -4.23 -1.24 0.08 115.64 115.57 1r4a s THR 57 Ca 0.05 -0.89 0.00 0.00 -1.18 0.00 0.00 61.69 59.67 1r4a s THR 57 Cb -0.06 -1.67 0.00 0.00 1.34 0.00 0.00 72.50 72.10 1r4a s THR 57 CO 0.00 0.52 0.00 0.00 -0.54 0.00 0.00 174.62 174.60 1r4a n TYR 58 N 3.96 0.00 -1.69 3.99 9.36 -1.05 -4.77 117.16 126.96 1r4a n TYR 58 Ca -0.20 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.61 1r4a n TYR 58 Cb 0.52 0.00 -0.00 0.00 -0.63 0.00 0.00 39.34 39.22 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 2.91 -1.21 2.98 4.81 -1.26 -4.35 118.16 122.04 1r4a n LYS 59 Ca 0.00 -2.56 -0.10 0.00 -0.87 0.00 0.00 58.31 54.78 1r4a n LYS 59 Cb 0.00 -3.25 -0.04 0.00 0.02 0.00 0.00 35.03 31.76 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 5.90 -4.37 -4.97 3.14 0.23 -1.26 -4.95 115.26 108.98 1r4a n ASN 60 Ca 0.54 0.25 -0.21 0.00 -0.53 0.00 0.00 54.58 54.63 1r4a n ASN 60 Cb 0.38 -3.46 -0.02 0.00 -2.08 0.00 0.00 39.78 34.59 1r4a n ASN 60 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1r4a s LEU 61 N -2.59 4.30 -0.17 -4.53 1.43 -1.26 -5.07 118.68 110.78 1r4a s LEU 61 Ca 0.00 0.06 -0.05 0.00 -1.03 0.00 0.00 54.13 53.11 1r4a s LEU 61 Cb 0.00 -2.86 -0.03 0.00 0.03 0.00 0.00 46.19 43.33 1r4a s LEU 61 CO 0.00 -0.09 -0.01 -0.75 0.23 0.00 0.00 176.35 175.72 1r4a s LYS 62 N -4.00 3.71 -0.02 1.70 2.47 -1.26 -2.53 119.74 119.82 1r4a s LYS 62 Ca 0.35 -0.49 0.02 0.00 -1.56 0.00 0.00 55.97 54.28 1r4a s LYS 62 Cb -0.09 -3.00 0.01 0.00 -1.46 0.00 0.00 37.83 33.28 1r4a s LYS 62 CO 0.29 0.20 -0.06 -0.06 0.16 0.00 0.00 175.35 175.88 1r4a s PHE 63 N 0.50 0.70 -0.36 4.03 0.40 0.11 -3.13 117.98 120.23 1r4a s PHE 63 Ca -0.02 -0.16 -0.16 0.00 -0.60 0.00 0.00 56.93 55.99 1r4a s PHE 63 Cb -0.14 -0.53 -0.00 0.00 0.51 0.00 0.00 43.02 42.86 1r4a s PHE 63 CO 0.02 -0.09 0.40 -1.14 0.70 0.00 0.00 175.22 175.11 1r4a s GLN 64 N 0.33 3.44 -0.18 0.44 0.74 -0.35 -0.67 119.66 123.41 1r4a s GLN 64 Ca -0.04 -0.47 -0.01 0.00 0.05 0.00 0.00 55.36 54.89 1r4a s GLN 64 Cb -0.08 -3.85 0.00 0.00 1.10 0.00 0.00 33.01 30.18 1r4a s GLN 64 CO 0.00 -0.63 -0.13 0.08 -0.55 0.00 0.00 175.29 174.05 1r4a s VAL 65 N 2.10 2.71 -0.03 1.34 1.01 -0.61 -0.35 120.40 126.58 1r4a s VAL 65 Ca 0.13 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 1r4a s VAL 65 Cb -0.17 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1r4a s VAL 65 CO 0.12 0.50 0.16 0.26 0.00 0.00 0.00 175.10 176.14 1r4a s TRP 66 N 1.11 3.52 -0.30 5.22 0.52 -0.14 -1.87 118.94 126.99 1r4a s TRP 66 Ca 0.00 0.36 0.01 0.00 0.02 0.00 0.00 56.10 56.50 1r4a s TRP 66 Cb -0.14 -1.83 0.09 0.00 -1.15 0.00 0.00 33.47 30.43 1r4a s TRP 66 CO -0.04 0.65 0.04 0.34 0.02 0.00 0.00 176.95 177.96 1r4a s ASP 67 N -1.75 4.24 -0.11 2.95 2.15 0.19 -0.73 116.67 123.61 1r4a s ASP 67 Ca 0.24 -1.71 -0.15 0.00 0.43 0.00 0.00 52.55 51.37 1r4a s ASP 67 Cb -0.12 -1.22 -0.05 0.00 -0.30 0.00 0.00 42.92 41.23 1r4a s ASP 67 CO 0.15 -0.36 0.37 -0.76 -0.17 0.00 0.00 175.17 174.41 1r4a s LEU 68 N 1.31 4.30 0.40 -1.34 1.43 -1.18 -1.82 118.68 121.78 1r4a s LEU 68 Ca 0.06 0.70 -0.27 0.00 -1.03 0.00 0.00 54.13 53.59 1r4a s LEU 68 Cb -0.18 -2.52 -0.10 0.00 0.03 0.00 0.00 46.19 43.42 1r4a s LEU 68 CO -0.14 0.12 1.47 0.61 0.23 0.00 0.00 176.35 178.64 1r4a n GLY 69 N 2.99 1.14 0.72 -3.19 0.00 -0.98 -4.76 105.19 101.11 1r4a n GLY 69 Ca -0.11 0.28 0.06 0.00 0.00 0.00 0.00 46.02 46.25 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 0.49 2.87 3.74 -0.02 0.00 -1.26 -4.69 105.19 106.31 1r4a n GLY 70 Ca 0.02 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.19 1.74 0.09 1.61 -2.07 -1.26 -2.57 119.66 116.01 1r4a s GLN 71 Ca 0.27 1.08 -0.19 0.00 -1.82 0.00 0.00 55.36 54.70 1r4a s GLN 71 Cb 0.15 -1.84 -0.05 0.00 -1.09 0.00 0.00 33.01 30.18 1r4a s GLN 71 CO 0.16 -1.98 1.33 1.15 -1.32 0.00 0.00 175.29 174.63 1r4a h THR 72 N -1.37 0.00 0.00 3.63 2.02 -2.01 -2.96 112.91 112.22 1r4a h THR 72 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.72 1r4a h THR 72 Cb 1.25 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1r4a h THR 72 CO 0.51 0.00 0.05 0.77 0.37 0.00 0.00 175.52 177.23 1r4a h SER 73 N -0.10 0.00 -0.01 4.18 4.64 -2.01 -2.33 113.55 117.91 1r4a h SER 73 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1r4a h SER 73 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1r4a h SER 73 CO -0.48 0.00 -0.00 2.30 -0.87 0.00 0.00 176.83 177.77 1r4a n ILE 74 N -2.32 0.00 -0.34 0.95 -5.35 -1.13 -4.55 119.36 106.63 1r4a n ILE 74 Ca -0.02 -0.50 -0.02 0.00 -0.27 0.00 0.00 62.75 61.94 1r4a n ILE 74 Cb 0.09 1.23 0.10 0.00 -1.74 0.00 0.00 39.64 39.32 1r4a n ILE 74 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 1r4a h ARG 75 N 2.15 1.16 0.00 6.28 3.08 -1.34 -2.38 114.38 123.32 1r4a h ARG 75 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1r4a h ARG 75 Cb 0.46 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1r4a h ARG 75 CO 0.00 0.77 0.11 -1.35 -1.07 0.00 0.00 179.97 178.43 1r4a h PRO 76 N 1.19 0.00 -0.02 0.04 0.11 -1.80 -1.88 132.00 129.65 1r4a h PRO 76 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 1r4a h PRO 76 Cb -0.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.03 1r4a h PRO 76 CO -0.09 0.00 -0.14 0.66 -0.21 0.00 0.00 178.00 178.22 1r4a n TYR 77 N -2.36 0.00 -0.36 0.65 0.53 -0.90 -4.28 117.16 110.44 1r4a n TYR 77 Ca -0.02 0.00 0.04 0.00 -1.02 0.00 0.00 57.90 56.90 1r4a n TYR 77 Cb 0.15 -0.03 0.19 0.00 -1.03 0.00 0.00 39.34 38.62 1r4a n TYR 77 CO 0.00 0.00 0.00 -1.49 -1.02 0.00 0.00 176.86 174.35 1r4a h TRP 78 N 2.79 1.15 0.00 -0.72 6.55 -1.47 -1.09 115.95 123.16 1r4a h TRP 78 Ca 0.00 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.87 1r4a h TRP 78 Cb 0.69 -0.37 0.00 0.00 -0.86 0.00 0.00 29.16 28.62 1r4a h TRP 78 CO 0.00 0.54 0.00 0.07 -1.05 0.00 0.00 178.44 178.00 1r4a h ARG 79 N 1.08 0.00 0.00 0.49 0.11 -1.81 -1.33 114.38 112.93 1r4a h ARG 79 Ca 0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.53 1r4a h ARG 79 Cb 0.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.36 1r4a h ARG 79 CO -0.21 0.00 0.00 0.00 0.10 0.00 0.00 179.97 179.86 1r4a n TYR 81 N -2.95 0.00 0.27 0.00 4.01 -0.50 -4.70 117.16 113.29 1r4a n TYR 81 Ca -0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.86 1r4a n TYR 81 Cb 0.24 0.00 0.76 0.00 -0.31 0.00 0.00 39.34 40.03 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 3.55 0.00 -3.04 -0.72 0.05 -1.60 -3.46 116.97 111.75 1r4a h TYR 82 Ca 0.00 0.00 -0.55 0.00 0.05 0.00 0.00 58.73 58.23 1r4a h TYR 82 Cb 0.77 0.00 0.08 0.00 1.01 0.00 0.00 36.73 38.60 1r4a h TYR 82 CO 0.00 0.09 0.83 0.45 -1.05 0.00 0.00 178.16 178.48 1r4a n SER 83 N -3.80 3.59 -3.71 3.88 2.88 -1.26 -3.13 113.62 112.07 1r4a n SER 83 Ca -0.02 1.13 -0.26 0.00 -1.33 0.00 0.00 58.87 58.39 1r4a n SER 83 Cb 0.19 -1.55 0.06 0.00 -0.75 0.00 0.00 64.21 62.16 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 2.39 -5.84 -4.69 -3.46 3.02 -1.26 -4.98 115.26 100.43 1r4a n ASN 84 Ca 0.10 -0.62 -0.38 0.00 -0.03 0.00 0.00 54.58 53.65 1r4a n ASN 84 Cb 0.35 -4.64 -0.06 0.00 -0.61 0.00 0.00 39.78 34.81 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 -3.31 5.16 -0.07 3.41 2.01 -1.18 -4.68 115.64 116.97 1r4a s THR 85 Ca 0.61 0.94 -0.07 0.00 0.31 0.00 0.00 61.69 63.48 1r4a s THR 85 Cb -0.28 -3.82 -0.28 0.00 0.01 0.00 0.00 72.50 68.12 1r4a s THR 85 CO 0.76 0.26 0.58 0.44 -0.69 0.00 0.00 174.62 175.97 1r4a h ASP 86 N 7.07 0.49 -5.06 3.53 3.32 -1.64 -3.40 116.42 120.73 1r4a h ASP 86 Ca -0.38 -0.86 -0.10 0.00 0.02 0.00 0.00 57.03 55.71 1r4a h ASP 86 Cb 1.17 -0.16 -0.17 0.00 0.22 0.00 0.00 39.33 40.39 1r4a h ASP 86 CO 0.75 1.74 -0.34 0.00 -1.72 0.00 0.00 179.24 179.67 1r4a s ALA 87 N -2.58 -0.49 -0.18 3.45 0.00 -1.21 -2.42 121.76 118.34 1r4a s ALA 87 Ca -0.17 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.63 1r4a s ALA 87 Cb 0.06 0.29 0.04 0.00 0.00 0.00 0.00 23.12 23.51 1r4a s ALA 87 CO 0.82 -0.38 -0.10 0.08 0.00 0.00 0.00 175.76 176.19 1r4a s VAL 88 N -2.55 1.48 -0.49 0.00 1.01 -0.78 -1.77 120.40 117.30 1r4a s VAL 88 Ca -0.05 -0.83 -0.18 0.00 0.00 0.00 0.00 61.98 60.91 1r4a s VAL 88 Cb -0.01 -1.55 0.06 0.00 0.00 0.00 0.00 36.38 34.88 1r4a s VAL 88 CO -0.04 0.21 0.58 -0.63 0.00 0.00 0.00 175.10 175.22 1r4a s ILE 89 N 1.48 4.95 -0.32 2.22 1.01 -0.25 -1.71 121.20 128.57 1r4a s ILE 89 Ca 0.00 -0.57 -0.18 0.00 0.00 0.00 0.00 60.65 59.90 1r4a s ILE 89 Cb -0.15 -4.25 -0.01 0.00 0.01 0.00 0.00 42.46 38.05 1r4a s ILE 89 CO -0.08 -0.74 0.54 -0.47 0.00 0.00 0.00 174.94 174.18 1r4a s TYR 90 N 2.43 3.21 -0.19 3.97 5.04 -0.45 -2.00 117.35 129.35 1r4a s TYR 90 Ca 0.13 0.39 -0.11 0.00 -2.44 0.00 0.00 57.07 55.05 1r4a s TYR 90 Cb -0.20 -2.88 -0.05 0.00 0.35 0.00 0.00 41.96 39.18 1r4a s TYR 90 CO 0.11 -0.45 0.16 0.08 -1.34 0.00 0.00 175.55 174.11 1r4a s VAL 91 N 2.42 5.39 -0.02 3.14 1.01 -0.40 -0.56 120.40 131.38 1r4a s VAL 91 Ca 0.21 0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.47 1r4a s VAL 91 Cb -0.15 -3.50 -0.00 0.00 0.00 0.00 0.00 36.38 32.73 1r4a s VAL 91 CO 0.12 0.43 -0.12 -0.69 0.00 0.00 0.00 175.10 174.84 1r4a s VAL 92 N 0.39 0.98 -0.42 2.92 1.01 -0.77 -4.30 120.40 120.21 1r4a s VAL 92 Ca 0.09 -0.50 -0.29 0.00 0.00 0.00 0.00 61.98 61.29 1r4a s VAL 92 Cb -0.11 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.44 1r4a s VAL 92 CO -0.01 0.29 1.41 -0.62 0.00 0.00 0.00 175.10 176.17 1r4a s ASP 93 N -0.08 6.33 0.62 3.32 -1.08 -1.26 -1.98 116.67 122.54 1r4a s ASP 93 Ca 0.01 0.82 0.39 0.00 -0.52 0.00 0.00 52.55 53.24 1r4a s ASP 93 Cb -0.07 -2.54 2.07 0.00 -1.46 0.00 0.00 42.92 40.92 1r4a s ASP 93 CO 0.00 -1.44 2.26 0.28 0.52 0.00 0.00 175.17 176.79 1r4a h SER 94 N 10.74 0.00 0.36 -0.34 0.02 -1.75 -2.62 113.55 119.96 1r4a h SER 94 Ca -0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1r4a h SER 94 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1r4a h SER 94 CO 1.09 0.02 -0.73 0.00 -1.14 0.00 0.00 176.83 176.06 1r4a s ASP 96 N -3.20 6.95 0.32 0.00 -1.08 -0.99 -4.81 116.67 113.86 1r4a s ASP 96 Ca 0.09 -2.69 0.14 0.00 -0.52 0.00 0.00 52.55 49.56 1r4a s ASP 96 Cb 0.16 -2.49 0.50 0.00 -1.46 0.00 0.00 42.92 39.64 1r4a s ASP 96 CO 0.76 -0.97 1.67 0.03 0.52 0.00 0.00 175.17 177.19 1r4a h ARG 97 N 7.43 0.00 -0.13 4.34 3.08 -1.86 -3.08 114.38 124.17 1r4a h ARG 97 Ca 0.37 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.34 1r4a h ARG 97 Cb 0.88 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 1r4a h ARG 97 CO 1.35 0.51 -0.28 -0.44 -1.07 0.00 0.00 179.97 180.04 1r4a h ASP 98 N 0.00 0.23 -0.54 7.04 3.32 -2.00 -3.28 116.42 121.19 1r4a h ASP 98 Ca -0.01 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1r4a h ASP 98 Cb 1.00 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.48 1r4a h ASP 98 CO 0.07 0.52 0.00 0.54 -1.72 0.00 0.00 179.24 178.64 1r4a n ARG 99 N -4.14 3.16 0.00 3.56 1.74 -1.17 -4.54 116.66 115.27 1r4a n ARG 99 Ca -0.01 -2.59 0.01 0.00 -0.77 0.00 0.00 57.85 54.49 1r4a n ARG 99 Cb 0.38 -1.63 0.32 0.00 -1.02 0.00 0.00 32.46 30.52 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 3.30 1.18 -0.22 0.55 2.10 -1.61 -2.03 117.51 120.78 1r4a h ILE 100 Ca 0.00 -0.68 -0.04 0.00 1.08 0.00 0.00 64.86 65.22 1r4a h ILE 100 Cb 1.13 0.88 -0.01 0.00 -1.09 0.00 0.00 36.82 37.73 1r4a h ILE 100 CO 0.11 0.24 -0.05 1.23 -1.08 0.00 0.00 178.15 178.59 1r4a h GLY 101 N 0.78 0.36 1.91 8.18 0.00 -1.85 -1.75 103.07 110.70 1r4a h GLY 101 Ca 0.11 -0.20 -0.17 0.00 0.00 0.00 0.00 47.33 47.07 1r4a h GLY 101 CO 0.00 0.19 -0.76 -2.22 0.00 0.00 0.00 176.54 173.76 1r4a h ILE 102 N 0.32 1.51 0.00 2.60 2.04 -1.70 -1.96 117.51 120.32 1r4a h ILE 102 Ca 0.07 -2.49 -0.06 0.00 1.00 0.00 0.00 64.86 63.37 1r4a h ILE 102 Cb 0.31 2.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.73 1r4a h ILE 102 CO 0.01 0.72 -0.30 0.28 0.00 0.00 0.00 178.15 178.86 1r4a h SER 103 N 0.05 0.00 -0.02 1.72 0.02 -0.74 -2.56 113.55 112.02 1r4a h SER 103 Ca -0.02 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 1r4a h SER 103 Cb 1.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.88 1r4a h SER 103 CO 0.11 0.30 -0.16 0.50 -1.14 0.00 0.00 176.83 176.44 1r4a h LYS 104 N 0.00 0.15 -0.37 3.45 3.64 -0.97 -2.53 116.57 119.94 1r4a h LYS 104 Ca -0.00 -0.13 0.07 0.00 -1.27 0.00 0.00 60.65 59.32 1r4a h LYS 104 Cb 0.68 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.44 1r4a h LYS 104 CO 0.04 0.81 -0.34 0.77 -2.27 0.00 0.00 179.45 178.46 1r4a h SER 105 N -0.46 -1.12 -0.62 4.20 0.02 -1.18 0.20 113.55 114.59 1r4a h SER 105 Ca -0.01 0.19 0.01 0.00 -0.84 0.00 0.00 61.79 61.14 1r4a h SER 105 Cb 0.85 0.51 -0.03 0.00 0.14 0.00 0.00 62.40 63.87 1r4a h SER 105 CO 0.03 -0.33 0.41 -0.33 -1.14 0.00 0.00 176.83 175.47 1r4a h GLU 106 N -0.28 0.81 -0.57 3.45 4.39 -1.55 -1.04 114.58 119.78 1r4a h GLU 106 Ca 0.16 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.76 1r4a h GLU 106 Cb 0.55 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1r4a h GLU 106 CO -0.52 0.53 0.16 1.25 -1.16 0.00 0.00 179.01 179.27 1r4a h LEU 107 N 0.83 0.85 -0.88 1.33 5.85 -0.83 -1.42 115.31 121.04 1r4a h LEU 107 Ca 0.23 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 1r4a h LEU 107 Cb -0.08 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.69 1r4a h LEU 107 CO -0.06 0.85 0.24 0.58 -0.34 0.00 0.00 178.44 179.72 1r4a h VAL 108 N 0.81 1.25 0.05 1.05 2.07 -0.40 -2.22 116.25 118.86 1r4a h VAL 108 Ca 0.18 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 1r4a h VAL 108 Cb 0.32 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1r4a h VAL 108 CO -0.00 0.33 -0.02 0.00 0.02 0.00 0.00 177.57 177.89 1r4a h ALA 109 N 1.23 -0.07 0.00 1.67 0.00 -0.83 -3.15 119.26 118.10 1r4a h ALA 109 Ca 0.23 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1r4a h ALA 109 Cb 0.25 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1r4a h ALA 109 CO -0.01 -0.43 -0.30 0.00 0.00 0.00 0.00 179.25 178.51 1r4a h MET 110 N -0.29 0.00 0.00 0.00 -0.00 -1.21 -2.73 114.93 110.70 1r4a h MET 110 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 1r4a h MET 110 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.86 1r4a h MET 110 CO 0.01 0.30 0.00 1.28 -0.00 0.00 0.00 176.91 178.50 1r4a n LEU 111 N -4.09 0.23 0.08 -0.10 4.77 -0.84 -2.00 117.00 115.05 1r4a n LEU 111 Ca -0.02 0.55 0.13 0.00 -0.03 0.00 0.00 56.01 56.63 1r4a n LEU 111 Cb 0.35 -0.50 0.29 0.00 -2.33 0.00 0.00 43.42 41.24 1r4a n LEU 111 CO 0.37 -0.26 0.62 -0.62 -1.33 0.00 0.00 177.39 176.18 1r4a n GLU 112 N -1.74 0.27 -2.02 3.23 1.02 -1.03 -4.85 120.64 115.53 1r4a n GLU 112 Ca 0.04 0.15 -0.42 0.00 -0.02 0.00 0.00 57.16 56.91 1r4a n GLU 112 Cb 0.24 -1.74 -0.03 0.00 -0.02 0.00 0.00 31.44 29.89 1r4a n GLU 112 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1r4a s GLU 113 N -3.13 4.20 0.57 3.49 2.56 -0.85 -4.89 118.70 120.65 1r4a s GLU 113 Ca 0.09 2.19 0.27 0.00 0.00 0.00 0.00 54.97 57.51 1r4a s GLU 113 Cb 0.13 -3.87 1.61 0.00 2.00 0.00 0.00 34.13 33.99 1r4a s GLU 113 CO 0.66 -0.80 2.12 1.49 -0.56 0.00 0.00 175.26 178.17 1r4a h GLU 114 N 9.14 0.00 0.00 4.30 4.57 -1.89 -1.86 114.58 128.84 1r4a h GLU 114 Ca -0.40 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 1r4a h GLU 114 Cb 1.18 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 1r4a h GLU 114 CO 0.94 0.00 0.00 0.39 -1.18 0.00 0.00 179.01 179.16 1r4a n GLU 115 N -3.96 0.45 -0.06 1.92 1.02 -1.26 -3.13 120.64 115.62 1r4a n GLU 115 Ca 0.01 0.02 0.04 0.00 -0.02 0.00 0.00 57.16 57.21 1r4a n GLU 115 Cb 0.29 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.28 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 -1.26 2.16 -0.27 -4.62 4.77 -0.70 -4.57 117.00 112.51 1r4a n LEU 116 Ca 0.14 -1.52 -0.03 0.00 -0.03 0.00 0.00 56.01 54.57 1r4a n LEU 116 Cb 0.22 -0.08 0.03 0.00 -2.33 0.00 0.00 43.42 41.25 1r4a n LEU 116 CO 0.21 0.50 0.62 0.03 -1.33 0.00 0.00 177.39 177.43 1r4a h ARG 117 N 1.44 -0.09 -0.65 3.23 2.47 -1.58 -0.97 114.38 118.23 1r4a h ARG 117 Ca 0.00 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1r4a h ARG 117 Cb 0.50 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.84 1r4a h ARG 117 CO 0.00 -0.06 0.00 1.63 0.56 0.00 0.00 179.97 182.10 1r4a n LYS 118 N -5.46 2.68 -3.45 0.04 4.76 -1.26 -4.89 118.16 110.57 1r4a n LYS 118 Ca 0.07 -1.57 -0.36 0.00 -2.87 0.00 0.00 58.31 53.58 1r4a n LYS 118 Cb 0.38 -1.71 -0.06 0.00 -1.84 0.00 0.00 35.03 31.80 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 -1.78 3.65 0.30 7.82 0.00 -0.37 -4.95 121.76 126.42 1r4a s ALA 119 Ca 0.28 -0.21 -0.07 0.00 0.00 0.00 0.00 51.96 51.96 1r4a s ALA 119 Cb 0.19 -2.43 -0.06 0.00 0.00 0.00 0.00 23.12 20.83 1r4a s ALA 119 CO 0.11 0.49 0.59 0.96 0.00 0.00 0.00 175.76 177.91 1r4a s ILE 120 N -1.33 4.97 -0.10 0.00 -4.36 -1.01 -4.78 121.20 114.57 1r4a s ILE 120 Ca 0.33 0.23 0.01 0.00 -0.26 0.00 0.00 60.65 60.95 1r4a s ILE 120 Cb -0.15 -3.71 -0.02 0.00 1.25 0.00 0.00 42.46 39.83 1r4a s ILE 120 CO 0.18 -0.30 -0.12 -0.22 0.24 0.00 0.00 174.94 174.71 1r4a s LEU 121 N -3.45 2.80 -0.25 0.37 2.96 -0.70 -1.86 118.68 118.57 1r4a s LEU 121 Ca 0.46 -0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 54.10 1r4a s LEU 121 Cb -0.11 -1.62 0.08 0.00 0.50 0.00 0.00 46.19 45.04 1r4a s LEU 121 CO 0.28 0.23 0.05 -0.69 -1.32 0.00 0.00 176.35 174.90 1r4a s VAL 122 N -0.04 0.81 0.06 1.68 1.01 -0.70 -2.37 120.40 120.86 1r4a s VAL 122 Ca -0.02 -0.98 -0.21 0.00 0.00 0.00 0.00 61.98 60.76 1r4a s VAL 122 Cb -0.14 -1.39 -0.06 0.00 0.00 0.00 0.00 36.38 34.79 1r4a s VAL 122 CO 0.04 -0.37 0.62 -0.69 0.00 0.00 0.00 175.10 174.69 1r4a s VAL 123 N 1.70 4.74 -0.30 2.92 1.01 -0.69 -1.35 120.40 128.44 1r4a s VAL 123 Ca 0.02 1.32 -0.03 0.00 0.00 0.00 0.00 61.98 63.29 1r4a s VAL 123 Cb -0.17 -3.96 0.04 0.00 0.00 0.00 0.00 36.38 32.29 1r4a s VAL 123 CO -0.14 0.50 0.01 -0.36 0.00 0.00 0.00 175.10 175.10 1r4a s PHE 124 N -0.76 3.21 -1.06 5.22 2.99 0.27 -1.81 117.98 126.04 1r4a s PHE 124 Ca 0.31 -1.66 -0.21 0.00 0.00 0.00 0.00 56.93 55.38 1r4a s PHE 124 Cb -0.20 -2.14 0.08 0.00 0.00 0.00 0.00 43.02 40.77 1r4a s PHE 124 CO 0.20 -0.76 1.43 0.00 -0.00 0.00 0.00 175.22 176.09 1r4a s ALA 125 N 1.31 3.05 0.60 5.36 0.00 0.33 -1.84 121.76 130.57 1r4a s ALA 125 Ca -0.03 -2.57 -0.09 0.00 0.00 0.00 0.00 51.96 49.27 1r4a s ALA 125 Cb -0.19 -4.42 -0.02 0.00 0.00 0.00 0.00 23.12 18.49 1r4a s ALA 125 CO -0.01 -3.36 0.97 1.21 0.00 0.00 0.00 175.76 174.57 1r4a s ASN 126 N 4.40 6.02 -0.53 0.00 2.47 -0.84 -0.98 114.94 125.49 1r4a s ASN 126 Ca 0.44 1.16 -0.01 0.00 0.42 0.00 0.00 52.86 54.88 1r4a s ASN 126 Cb -0.01 -2.23 0.00 0.00 -1.45 0.00 0.00 41.25 37.57 1r4a s ASN 126 CO -0.06 -0.91 0.08 0.29 -3.72 0.00 0.00 177.10 172.78 1r4a n LYS 127 N -2.66 -0.96 0.00 0.43 5.02 -0.83 -2.09 118.16 117.07 1r4a n LYS 127 Ca 0.05 0.30 0.06 0.00 -2.02 0.00 0.00 58.31 56.70 1r4a n LYS 127 Cb 0.55 -4.04 0.34 0.00 -0.02 0.00 0.00 35.03 31.86 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 -1.69 0.48 0.05 1.97 1.13 -0.37 -1.84 117.38 117.12 1r4a n GLN 128 Ca -0.06 0.00 0.13 0.00 -1.94 0.00 0.00 57.00 55.13 1r4a n GLN 128 Cb 0.55 -1.37 0.31 0.00 0.11 0.00 0.00 30.24 29.84 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 -0.87 0.59 -4.77 1.08 5.75 -1.26 -4.82 116.55 112.25 1r4a n ASP 129 Ca 0.08 0.22 -0.39 0.00 -0.01 0.00 0.00 54.79 54.69 1r4a n ASP 129 Cb 0.04 -0.15 -0.06 0.00 -1.03 0.00 0.00 41.12 39.92 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 -3.10 4.30 0.35 0.11 -1.94 -0.76 -4.98 119.30 113.27 1r4a s MET 130 Ca 0.09 0.71 0.05 0.00 -1.71 0.00 0.00 55.69 54.84 1r4a s MET 130 Cb 0.15 -3.33 0.70 0.00 2.01 0.00 0.00 34.83 34.36 1r4a s MET 130 CO 0.66 0.39 1.93 1.49 -0.01 0.00 0.00 175.02 179.48 1r4a h GLU 131 N 5.57 0.79 -0.79 2.03 4.81 -1.89 -1.16 114.58 123.94 1r4a h GLU 131 Ca -0.46 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1r4a h GLU 131 Cb 1.20 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.40 1r4a h GLU 131 CO 0.69 0.52 0.00 1.04 -0.73 0.00 0.00 179.01 180.53 1r4a n GLN 132 N -4.50 1.36 -2.57 1.92 1.13 -1.26 -4.86 117.38 108.61 1r4a n GLN 132 Ca 0.13 -0.31 -0.43 0.00 -1.94 0.00 0.00 57.00 54.45 1r4a n GLN 132 Cb 0.27 -1.48 -0.02 0.00 0.11 0.00 0.00 30.24 29.12 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 -1.32 3.66 0.61 -1.58 0.00 -0.44 -4.42 121.76 118.27 1r4a s ALA 133 Ca 0.05 0.31 -0.17 0.00 0.00 0.00 0.00 51.96 52.15 1r4a s ALA 133 Cb 0.04 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 1r4a s ALA 133 CO 0.02 -1.07 1.14 0.00 0.00 0.00 0.00 175.76 175.85 1r4a s MET 134 N 3.23 2.99 0.67 0.00 0.23 -0.96 -4.98 119.30 120.48 1r4a s MET 134 Ca 0.49 1.56 -0.16 0.00 -1.03 0.00 0.00 55.69 56.55 1r4a s MET 134 Cb -0.18 -1.96 0.01 0.00 -1.53 0.00 0.00 34.83 31.16 1r4a s MET 134 CO 0.10 -1.13 1.15 0.95 -2.03 0.00 0.00 175.02 174.07 1r4a s THR 135 N -2.00 2.85 0.55 3.16 -4.23 -1.26 -4.89 115.64 109.82 1r4a s THR 135 Ca 0.71 0.42 0.34 0.00 -1.18 0.00 0.00 61.69 61.98 1r4a s THR 135 Cb -0.24 -2.99 0.37 0.00 1.34 0.00 0.00 72.50 70.99 1r4a s THR 135 CO 0.35 -0.21 2.24 -0.65 -0.54 0.00 0.00 174.62 175.80 1r4a h PRO 136 N 0.10 0.00 0.10 3.99 0.11 -1.97 -2.36 132.00 131.97 1r4a h PRO 136 Ca -0.48 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.39 1r4a h PRO 136 Cb 1.27 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.40 1r4a h PRO 136 CO 0.53 0.03 -0.99 0.77 -0.21 0.00 0.00 178.00 178.12 1r4a h SER 137 N 0.00 0.71 -0.40 -2.05 0.02 -1.99 -1.84 113.55 107.99 1r4a h SER 137 Ca -0.00 -0.84 -0.01 0.00 -0.84 0.00 0.00 61.79 60.10 1r4a h SER 137 Cb 0.10 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1r4a h SER 137 CO 0.00 1.47 0.20 -0.33 -1.14 0.00 0.00 176.83 177.04 1r4a h GLU 138 N 0.04 0.58 0.07 3.45 5.08 -1.82 -2.28 114.58 119.69 1r4a h GLU 138 Ca -0.15 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1r4a h GLU 138 Cb 1.71 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.84 1r4a h GLU 138 CO 0.19 0.49 -0.08 1.98 -1.00 0.00 0.00 179.01 180.59 1r4a h MET 139 N 0.52 -0.17 -0.99 2.33 4.05 -1.49 -0.43 114.93 118.74 1r4a h MET 139 Ca 0.14 0.01 0.13 0.00 -0.28 0.00 0.00 59.70 59.70 1r4a h MET 139 Cb 0.10 0.04 -0.09 0.00 -0.80 0.00 0.00 31.60 30.85 1r4a h MET 139 CO -0.02 -0.11 0.62 0.00 0.23 0.00 0.00 176.91 177.63 1r4a h ALA 140 N 0.74 1.58 -0.14 0.39 0.00 -1.18 -0.81 119.26 119.83 1r4a h ALA 140 Ca 0.01 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1r4a h ALA 140 Cb 0.17 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1r4a h ALA 140 CO -0.03 0.16 -0.24 -0.91 0.00 0.00 0.00 179.25 178.24 1r4a h ASN 141 N 0.94 0.46 0.41 0.00 2.35 -0.99 -1.84 115.58 116.91 1r4a h ASN 141 Ca 0.50 -0.54 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 1r4a h ASN 141 Cb 0.56 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.80 1r4a h ASN 141 CO -0.27 0.90 -0.10 0.00 -1.65 0.00 0.00 177.43 176.32 1r4a h ALA 142 N 0.56 1.22 0.00 -0.83 0.00 -0.56 -2.62 119.26 117.03 1r4a h ALA 142 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1r4a h ALA 142 Cb 0.81 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1r4a h ALA 142 CO 0.05 0.12 -1.03 1.28 0.00 0.00 0.00 179.25 179.68 1r4a n LEU 143 N -3.52 0.61 0.00 0.00 4.77 -0.36 -4.89 117.00 113.61 1r4a n LEU 143 Ca -0.02 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1r4a n LEU 143 Cb 0.23 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1r4a n LEU 143 CO 0.29 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1r4a n GLY 144 N 1.35 0.49 0.20 -0.72 0.00 -0.80 -4.93 105.19 100.78 1r4a n GLY 144 Ca 0.02 -0.58 -0.02 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.28 -1.86 0.99 3.38 -1.64 -1.13 115.31 114.78 1r4a h LEU 145 Ca 0.00 0.13 0.22 0.00 0.09 0.00 0.00 57.88 58.32 1r4a h LEU 145 Cb 0.00 0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1r4a h LEU 145 CO 0.00 -0.10 0.68 -0.65 0.09 0.00 0.00 178.44 178.46 1r4a h PRO 146 N 0.08 0.00 -0.01 1.13 0.11 -1.94 0.43 132.00 131.80 1r4a h PRO 146 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 1r4a h PRO 146 Cb 0.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.49 1r4a h PRO 146 CO -0.44 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.35 1r4a n ALA 147 N -2.49 2.64 -2.15 -0.75 0.00 -0.43 -4.88 120.51 112.45 1r4a n ALA 147 Ca 0.16 -0.30 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 1r4a n ALA 147 Cb 0.95 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 19.01 1r4a n ALA 147 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1r4a s LEU 148 N -1.96 4.30 -0.07 0.00 2.01 0.15 -5.01 118.68 118.09 1r4a s LEU 148 Ca 0.43 2.11 0.03 0.00 0.01 0.00 0.00 54.13 56.71 1r4a s LEU 148 Cb 0.21 -3.55 -0.02 0.00 0.01 0.00 0.00 46.19 42.84 1r4a s LEU 148 CO 0.35 -0.82 -0.14 -1.59 1.01 0.00 0.00 176.35 175.15 1r4a s LYS 149 N 3.27 2.71 -1.07 1.70 0.00 -1.26 -4.54 119.74 120.56 1r4a s LYS 149 Ca 0.67 -0.69 -0.01 0.00 0.00 0.00 0.00 55.97 55.94 1r4a s LYS 149 Cb -0.31 -2.44 0.00 0.00 0.00 0.00 0.00 37.83 35.08 1r4a s LYS 149 CO 0.26 0.53 0.14 -0.25 0.00 0.00 0.00 175.35 176.03 1r4a n ASP 150 N 2.59 -4.20 -3.80 0.03 8.00 -1.26 -5.01 116.55 112.90 1r4a n ASP 150 Ca -0.17 -0.07 -0.25 0.00 0.71 0.00 0.00 54.79 55.00 1r4a n ASP 150 Cb 0.52 -3.27 -0.17 0.00 -0.02 0.00 0.00 41.12 38.18 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 -4.87 0.85 -0.25 -1.24 1.81 -1.26 -5.03 118.95 108.96 1r4a s ARG 151 Ca 0.07 -0.11 -0.27 0.00 -1.72 0.00 0.00 55.73 53.70 1r4a s ARG 151 Cb -0.03 -1.38 0.00 0.00 -0.45 0.00 0.00 34.95 33.09 1r4a s ARG 151 CO 0.08 -0.37 0.93 0.15 -0.68 0.00 0.00 175.30 175.42 1r4a s LYS 152 N 1.88 4.17 0.09 3.54 1.02 -1.26 -4.99 119.74 124.19 1r4a s LYS 152 Ca 0.04 1.07 -0.13 0.00 0.02 0.00 0.00 55.97 56.97 1r4a s LYS 152 Cb -0.13 -3.66 0.02 0.00 -0.52 0.00 0.00 37.83 33.53 1r4a s LYS 152 CO -0.07 -0.62 0.31 1.67 -0.92 0.00 0.00 175.35 175.72 1r4a s TRP 153 N 3.08 -0.06 0.04 3.18 1.48 -1.26 -1.71 118.94 123.69 1r4a s TRP 153 Ca 0.39 -0.25 -0.22 0.00 -1.06 0.00 0.00 56.10 54.96 1r4a s TRP 153 Cb -0.15 0.11 0.05 0.00 -1.16 0.00 0.00 33.47 32.33 1r4a s TRP 153 CO 0.08 -0.60 0.50 -1.14 -4.06 0.00 0.00 176.95 171.73 1r4a s GLN 154 N -3.53 1.00 -0.01 3.25 2.00 -1.00 -5.01 119.66 116.36 1r4a s GLN 154 Ca 0.02 -0.22 0.07 0.00 -2.00 0.00 0.00 55.36 53.22 1r4a s GLN 154 Cb 0.02 0.46 -0.02 0.00 0.80 0.00 0.00 33.01 34.27 1r4a s GLN 154 CO -0.10 -0.35 -0.21 -1.50 -0.50 0.00 0.00 175.29 172.63 1r4a s ILE 155 N -2.32 1.69 0.02 -2.34 2.07 -1.26 -1.70 121.20 117.36 1r4a s ILE 155 Ca -0.06 -0.94 0.02 0.00 -1.41 0.00 0.00 60.65 58.26 1r4a s ILE 155 Cb -0.01 -1.41 -0.01 0.00 0.13 0.00 0.00 42.46 41.16 1r4a s ILE 155 CO -0.01 0.46 -0.06 -0.36 -1.91 0.00 0.00 174.94 173.06 1r4a s PHE 156 N -0.53 0.55 0.12 3.50 0.40 -0.75 -4.99 117.98 116.29 1r4a s PHE 156 Ca 0.08 -0.27 -0.18 0.00 -0.60 0.00 0.00 56.93 55.96 1r4a s PHE 156 Cb -0.08 -0.34 -0.07 0.00 0.51 0.00 0.00 43.02 43.04 1r4a s PHE 156 CO -0.01 -0.04 0.59 -1.59 0.70 0.00 0.00 175.22 174.87 1r4a s LYS 157 N -0.77 4.15 0.24 0.44 -2.85 -1.26 -0.51 119.74 119.18 1r4a s LYS 157 Ca -0.03 0.69 -0.00 0.00 -1.00 0.00 0.00 55.97 55.62 1r4a s LYS 157 Cb -0.06 -3.08 -0.03 0.00 -2.06 0.00 0.00 37.83 32.60 1r4a s LYS 157 CO 0.00 0.55 0.22 0.95 0.10 0.00 0.00 175.35 177.17 1r4a s THR 158 N -1.29 0.00 -0.33 3.79 -4.23 -0.15 -4.45 115.64 108.98 1r4a s THR 158 Ca 0.34 -1.93 0.02 0.00 -1.18 0.00 0.00 61.69 58.94 1r4a s THR 158 Cb -0.18 -2.48 0.15 0.00 1.34 0.00 0.00 72.50 71.33 1r4a s THR 158 CO 0.20 0.00 0.36 -0.55 -0.54 0.00 0.00 174.62 174.09 1r4a s SER 159 N -3.21 1.11 0.24 3.99 0.15 0.30 -1.24 113.70 115.05 1r4a s SER 159 Ca 0.38 -1.02 -0.05 0.00 0.70 0.00 0.00 55.95 55.95 1r4a s SER 159 Cb 0.05 0.70 0.36 0.00 -1.71 0.00 0.00 66.02 65.42 1r4a s SER 159 CO 0.16 -0.32 1.82 0.00 1.20 0.00 0.00 173.24 176.10 1r4a h ALA 160 N 7.71 1.14 0.03 5.45 0.00 -1.93 0.92 119.26 132.57 1r4a h ALA 160 Ca -0.04 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1r4a h ALA 160 Cb 1.08 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1r4a h ALA 160 CO 0.26 0.14 -0.01 1.79 0.00 0.00 0.00 179.25 181.42 1r4a h THR 161 N 0.82 1.14 -0.00 0.00 1.35 -1.95 -3.01 112.91 111.26 1r4a h THR 161 Ca 0.38 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 1r4a h THR 161 Cb 0.29 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 1r4a h THR 161 CO -0.22 0.14 -0.11 0.29 -0.25 0.00 0.00 175.52 175.37 1r4a n LYS 162 N -5.00 0.41 -1.17 4.72 4.76 -1.08 -4.92 118.16 115.89 1r4a n LYS 162 Ca -0.08 -0.11 -0.06 0.00 -2.87 0.00 0.00 58.31 55.19 1r4a n LYS 162 Cb 0.15 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.81 1r4a n LYS 162 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1r4a n GLY 163 N 1.35 0.74 3.82 0.72 0.00 0.31 -4.99 105.19 107.14 1r4a n GLY 163 Ca 0.12 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.91 4.62 0.00 2.61 -4.23 -0.87 -4.25 115.64 111.61 1r4a s THR 164 Ca 0.00 1.20 0.00 0.00 -1.18 0.00 0.00 61.69 61.71 1r4a s THR 164 Cb 0.00 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 70.01 1r4a s THR 164 CO 0.00 0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.90 1r4a n GLY 165 N 0.73 2.92 0.28 3.99 0.00 -1.26 -0.53 105.19 111.32 1r4a n GLY 165 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 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 0.96 -0.19 0.99 3.38 -1.85 -2.79 115.31 115.80 1r4a h LEU 166 Ca 0.00 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1r4a h LEU 166 Cb 0.00 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1r4a h LEU 166 CO 0.00 1.04 0.13 0.44 0.09 0.00 0.00 178.44 180.14 1r4a h ASP 167 N 0.85 0.22 -0.23 -0.43 3.32 -1.91 0.11 116.42 118.35 1r4a h ASP 167 Ca 0.15 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.23 1r4a h ASP 167 Cb 0.57 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 1r4a h ASP 167 CO 0.03 0.17 0.02 -0.33 -1.72 0.00 0.00 179.24 177.40 1r4a h GLU 168 N 0.26 0.09 -0.07 3.56 3.07 -1.99 -0.68 114.58 118.83 1r4a h GLU 168 Ca 0.07 -0.01 0.04 0.00 -0.50 0.00 0.00 59.36 58.96 1r4a h GLU 168 Cb -0.03 -0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 27.81 1r4a h GLU 168 CO -0.02 0.06 -0.23 0.00 -1.40 0.00 0.00 179.01 177.42 1r4a h ALA 169 N 1.18 -0.25 -0.88 3.43 0.00 -1.16 -2.36 119.26 119.22 1r4a h ALA 169 Ca 0.11 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1r4a h ALA 169 Cb 0.12 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1r4a h ALA 169 CO -0.17 -0.71 0.58 0.52 0.00 0.00 0.00 179.25 179.48 1r4a h MET 170 N -0.33 1.13 0.15 0.00 2.86 -0.44 -1.88 114.93 116.41 1r4a h MET 170 Ca 0.08 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1r4a h MET 170 Cb 0.44 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 1r4a h MET 170 CO -0.26 0.75 -0.17 0.93 1.06 0.00 0.00 176.91 179.22 1r4a h GLU 171 N 1.16 -0.35 -0.15 1.72 4.39 -0.71 0.11 114.58 120.75 1r4a h GLU 171 Ca 0.33 0.02 0.04 0.00 0.34 0.00 0.00 59.36 60.09 1r4a h GLU 171 Cb -0.08 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.62 1r4a h GLU 171 CO -0.08 -0.23 -0.08 2.35 -1.16 0.00 0.00 179.01 179.80 1r4a h TRP 172 N -0.36 -0.20 0.25 4.33 7.01 -1.13 -0.39 115.95 125.45 1r4a h TRP 172 Ca 0.01 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.03 1r4a h TRP 172 Cb 0.36 0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.50 1r4a h TRP 172 CO -0.15 -0.13 -0.34 1.25 -2.79 0.00 0.00 178.44 176.28 1r4a h LEU 173 N -0.08 -0.94 -0.58 0.65 5.85 -1.10 0.13 115.31 119.25 1r4a h LEU 173 Ca 0.09 0.09 0.10 0.00 0.84 0.00 0.00 57.88 59.00 1r4a h LEU 173 Cb 0.20 0.33 -0.08 0.00 0.37 0.00 0.00 40.66 41.49 1r4a h LEU 173 CO -0.20 -0.45 0.16 0.58 -0.34 0.00 0.00 178.44 178.19 1r4a h VAL 174 N -0.64 0.71 -0.03 1.05 2.07 -0.53 -2.09 116.25 116.78 1r4a h VAL 174 Ca 0.00 -0.11 -0.15 0.00 0.82 0.00 0.00 66.70 67.27 1r4a h VAL 174 Cb 0.62 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1r4a h VAL 174 CO -0.12 0.06 -0.65 -0.33 0.02 0.00 0.00 177.57 176.55 1r4a h GLU 175 N 0.31 0.13 -0.50 1.57 5.08 -0.78 -2.11 114.58 118.28 1r4a h GLU 175 Ca 0.30 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 58.45 1r4a h GLU 175 Cb 0.41 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1r4a h GLU 175 CO -0.35 0.74 -0.13 1.15 -1.00 0.00 0.00 179.01 179.42 1r4a h THR 176 N 0.09 1.27 0.00 1.13 2.02 -0.25 -3.08 112.91 114.09 1r4a h THR 176 Ca -0.01 -1.27 -0.20 0.00 0.77 0.00 0.00 66.41 65.70 1r4a h THR 176 Cb 1.17 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 68.61 1r4a h THR 176 CO 0.09 0.44 -0.96 0.17 0.37 0.00 0.00 175.52 175.64 1r4a h LEU 177 N 0.83 0.00 -2.01 2.58 8.10 -1.39 -3.04 115.31 120.38 1r4a h LEU 177 Ca 0.13 0.00 0.11 0.00 0.11 0.00 0.00 57.88 58.22 1r4a h LEU 177 Cb 0.69 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.89 1r4a h LEU 177 CO 0.05 0.95 0.27 0.11 -4.11 0.00 0.00 178.44 175.71 1r4a h LYS 178 N 0.00 0.00 0.00 0.17 1.57 -1.35 -3.29 116.57 113.67 1r4a h LYS 178 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1r4a h LYS 178 Cb 1.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.04 1r4a h LYS 178 CO 0.12 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.43 1r4a n SER 179 N -4.40 0.00 0.00 0.86 7.64 -1.15 -5.11 113.62 111.46 1r4a n SER 179 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1r4a n SER 179 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1r4a n SER 179 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89