#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 3.04 0.38 -0.14 0.41 -1.26 -4.79 118.70 116.34 1r4a s GLU 17 Ca 0.00 -1.22 -0.19 0.00 -0.41 0.00 0.00 54.97 53.15 1r4a s GLU 17 Cb 0.00 -4.16 -0.10 0.00 -1.78 0.00 0.00 34.13 28.09 1r4a s GLU 17 CO 0.00 -1.22 0.87 -1.64 -0.49 0.00 0.00 175.26 172.78 1r4a s MET 18 N 2.16 4.17 -0.14 1.61 -1.94 -1.23 -4.90 119.30 119.04 1r4a s MET 18 Ca 0.09 0.96 0.01 0.00 -1.71 0.00 0.00 55.69 55.05 1r4a s MET 18 Cb -0.23 -2.32 -0.00 0.00 2.01 0.00 0.00 34.83 34.28 1r4a s MET 18 CO 0.08 0.07 -0.17 -0.98 -0.01 0.00 0.00 175.02 174.01 1r4a s ARG 19 N -3.01 3.21 -0.03 2.03 1.70 -1.26 -2.02 118.95 119.57 1r4a s ARG 19 Ca 0.58 -0.77 0.04 0.00 -0.47 0.00 0.00 55.73 55.11 1r4a s ARG 19 Cb -0.10 -2.54 -0.03 0.00 -0.57 0.00 0.00 34.95 31.71 1r4a s ARG 19 CO 0.15 0.10 -0.12 0.42 -1.08 0.00 0.00 175.30 174.77 1r4a s ILE 20 N 0.60 3.23 -0.18 4.99 1.01 -0.97 -1.93 121.20 127.95 1r4a s ILE 20 Ca -0.10 -0.76 -0.04 0.00 0.00 0.00 0.00 60.65 59.76 1r4a s ILE 20 Cb -0.16 -2.31 -0.02 0.00 0.01 0.00 0.00 42.46 39.97 1r4a s ILE 20 CO 0.03 0.52 -0.04 -0.76 0.00 0.00 0.00 174.94 174.69 1r4a s LEU 21 N -0.97 3.10 -0.35 2.97 1.43 -0.86 -0.39 118.68 123.62 1r4a s LEU 21 Ca 0.13 -0.23 -0.15 0.00 -1.03 0.00 0.00 54.13 52.85 1r4a s LEU 21 Cb -0.11 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.34 1r4a s LEU 21 CO 0.03 0.10 0.35 -0.63 0.23 0.00 0.00 176.35 176.42 1r4a s ILE 22 N 0.79 5.18 0.36 -0.59 1.01 0.15 -1.54 121.20 126.56 1r4a s ILE 22 Ca -0.01 -0.03 0.05 0.00 0.00 0.00 0.00 60.65 60.66 1r4a s ILE 22 Cb -0.15 -3.82 -0.07 0.00 0.01 0.00 0.00 42.46 38.43 1r4a s ILE 22 CO 0.02 -0.10 0.03 -0.76 0.00 0.00 0.00 174.94 174.13 1r4a s LEU 23 N 1.98 2.51 0.00 2.97 1.43 -0.34 -2.99 118.68 124.23 1r4a s LEU 23 Ca 0.11 -1.37 0.00 0.00 -1.03 0.00 0.00 54.13 51.84 1r4a s LEU 23 Cb -0.17 -0.63 0.00 0.00 0.03 0.00 0.00 46.19 45.42 1r4a s LEU 23 CO 0.12 -0.53 0.00 0.61 0.23 0.00 0.00 176.35 176.78 1r4a n GLY 24 N -0.82 4.12 3.45 -3.19 0.00 -1.26 -0.56 105.19 106.93 1r4a n GLY 24 Ca -0.04 -1.55 -0.30 0.00 0.00 0.00 0.00 46.02 44.13 1r4a n GLY 24 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1r4a n LEU 25 N 0.00 -0.88 -4.73 0.99 4.77 -1.26 -4.31 117.00 111.58 1r4a n LEU 25 Ca 0.00 -0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.54 1r4a n LEU 25 Cb 0.00 -1.21 -0.03 0.00 -2.33 0.00 0.00 43.42 39.85 1r4a n LEU 25 CO 0.00 -3.12 1.08 1.51 -1.33 0.00 0.00 177.39 175.53 1r4a s ASP 26 N -2.26 6.74 0.00 -1.43 -4.77 -1.20 -3.26 116.67 110.49 1r4a s ASP 26 Ca 0.64 2.53 0.00 0.00 -3.30 0.00 0.00 52.55 52.42 1r4a s ASP 26 Cb -0.21 -2.61 0.00 0.00 -1.09 0.00 0.00 42.92 39.01 1r4a s ASP 26 CO 0.65 -0.66 0.00 0.61 0.70 0.00 0.00 175.17 176.47 1r4a n GLY 27 N 2.64 0.63 0.17 2.12 0.00 -1.26 -4.96 105.19 104.52 1r4a n GLY 27 Ca 0.08 -0.09 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 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 0.24 0.00 4.61 0.00 -1.90 -3.47 119.26 118.74 1r4a h ALA 28 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1r4a h ALA 28 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1r4a h ALA 28 CO 0.00 0.78 0.00 0.41 0.00 0.00 0.00 179.25 180.44 1r4a n GLY 29 N 1.07 0.81 0.38 0.00 0.00 -1.26 -4.62 105.19 101.57 1r4a n GLY 29 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 -0.41 -0.04 1.61 1.57 -1.92 0.15 116.57 117.53 1r4a h LYS 30 Ca 0.00 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1r4a h LYS 30 Cb 0.00 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1r4a h LYS 30 CO 0.00 -0.27 -0.03 1.15 -0.57 0.00 0.00 179.45 179.72 1r4a h THR 31 N -0.43 0.90 -0.82 -0.16 2.02 -1.95 -2.03 112.91 110.44 1r4a h THR 31 Ca 0.10 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.41 1r4a h THR 31 Cb 0.60 0.90 -0.09 0.00 -1.74 0.00 0.00 68.15 67.82 1r4a h THR 31 CO -0.44 0.00 0.42 0.74 0.37 0.00 0.00 175.52 176.62 1r4a h THR 32 N -0.04 0.77 -0.60 3.16 2.02 -1.81 -2.08 112.91 114.32 1r4a h THR 32 Ca 0.03 -0.22 -0.09 0.00 0.77 0.00 0.00 66.41 66.90 1r4a h THR 32 Cb 0.08 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.55 1r4a h THR 32 CO -0.07 0.12 0.03 0.40 0.37 0.00 0.00 175.52 176.38 1r4a h ILE 33 N 0.64 1.26 -0.01 3.11 2.04 -0.34 -2.42 117.51 121.79 1r4a h ILE 33 Ca 0.43 -1.09 0.03 0.00 1.00 0.00 0.00 64.86 65.23 1r4a h ILE 33 Cb 0.56 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 1r4a h ILE 33 CO -0.33 0.40 -0.17 0.25 0.00 0.00 0.00 178.15 178.30 1r4a h LEU 34 N 0.95 -0.50 -0.79 1.44 5.85 -0.66 -2.20 115.31 119.40 1r4a h LEU 34 Ca 0.18 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.93 1r4a h LEU 34 Cb 0.50 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1r4a h LEU 34 CO 0.02 -0.23 -0.18 1.88 -0.34 0.00 0.00 178.44 179.59 1r4a h TYR 35 N -0.27 0.00 -0.08 1.25 -1.99 -1.56 -2.41 116.97 111.91 1r4a h TYR 35 Ca 0.06 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.75 1r4a h TYR 35 Cb 0.35 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.07 1r4a h TYR 35 CO -0.23 0.18 -0.13 -0.09 -0.00 0.00 0.00 178.16 177.90 1r4a h ARG 36 N 0.00 0.13 -6.13 4.88 9.65 -0.94 -3.30 114.38 118.67 1r4a h ARG 36 Ca -0.00 -0.02 -0.56 0.00 -1.10 0.00 0.00 59.98 58.29 1r4a h ARG 36 Cb 0.85 -0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 29.37 1r4a h ARG 36 CO 0.02 0.26 0.03 -0.51 2.80 0.00 0.00 179.97 182.57 1r4a s LEU 37 N -8.76 4.42 -1.09 3.80 1.43 -0.87 -4.07 118.68 113.54 1r4a s LEU 37 Ca -0.05 1.22 -0.02 0.00 -1.03 0.00 0.00 54.13 54.26 1r4a s LEU 37 Cb 0.16 -3.00 -0.02 0.00 0.03 0.00 0.00 46.19 43.36 1r4a s LEU 37 CO 0.71 0.08 0.92 1.67 0.23 0.00 0.00 176.35 179.96 1r4a n GLN 38 N 2.78 -5.07 0.00 1.70 -0.06 -1.26 -4.91 117.38 110.57 1r4a n GLN 38 Ca -0.06 0.80 0.00 0.00 -2.00 0.00 0.00 57.00 55.75 1r4a n GLN 38 Cb 0.51 -5.64 0.00 0.00 -4.06 0.00 0.00 30.24 21.05 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 -3.71 0.00 0.00 1.69 0.31 -1.24 -4.98 118.33 110.40 1r4a n VAL 39 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1r4a n VAL 39 Cb 0.65 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.58 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 -1.21 -1.96 0.00 2.92 0.00 -1.26 -4.50 105.19 99.18 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 -3.21 1.61 0.00 -1.26 -4.56 120.64 113.22 1r4a n GLU 41 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.15 1r4a n GLU 41 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.42 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 -0.05 -0.89 -0.04 6.31 1.01 -1.26 -5.02 120.40 120.45 1r4a s VAL 42 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1r4a s VAL 42 Cb 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 36.38 35.78 1r4a s VAL 42 CO 0.00 -0.09 0.17 0.52 0.00 0.00 0.00 175.10 175.69 1r4a n VAL 43 N 4.93 0.16 -1.82 2.92 0.31 -1.26 -4.62 118.33 118.95 1r4a n VAL 43 Ca 0.07 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.20 1r4a n VAL 43 Cb 0.54 -0.56 -0.06 0.00 -0.91 0.00 0.00 33.84 32.84 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 0.75 3.24 0.03 2.52 2.01 -1.26 -4.83 115.64 118.11 1r4a s THR 44 Ca 0.00 -0.22 0.02 0.00 0.31 0.00 0.00 61.69 61.80 1r4a s THR 44 Cb 0.00 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 68.89 1r4a s THR 44 CO 0.00 -0.50 -0.07 0.28 -0.69 0.00 0.00 174.62 173.64 1r4a s THR 45 N 12.54 0.49 0.17 -0.82 -1.32 -1.26 -5.09 115.64 120.36 1r4a s THR 45 Ca 0.80 -0.83 0.04 0.00 -1.21 0.00 0.00 61.69 60.49 1r4a s THR 45 Cb -0.09 -0.52 -0.05 0.00 -1.51 0.00 0.00 72.50 70.33 1r4a s THR 45 CO 0.05 -0.25 -0.05 0.27 -2.21 0.00 0.00 174.62 172.43 1r4a s ILE 46 N -1.03 1.02 0.36 5.08 -4.36 -1.26 -5.11 121.20 115.90 1r4a s ILE 46 Ca -0.07 -2.03 -0.26 0.00 -0.26 0.00 0.00 60.65 58.03 1r4a s ILE 46 Cb -0.08 -2.04 -0.12 0.00 1.25 0.00 0.00 42.46 41.47 1r4a s ILE 46 CO 0.00 -0.58 1.02 -2.65 0.24 0.00 0.00 174.94 172.97 1r4a n PRO 47 N -0.26 1.41 -3.22 0.37 -0.02 -1.26 -4.89 135.00 127.12 1r4a n PRO 47 Ca -0.08 0.50 -0.46 0.00 -2.02 0.00 0.00 63.50 61.44 1r4a n PRO 47 Cb 0.62 -1.97 -0.03 0.00 -0.02 0.00 0.00 33.50 32.10 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 -1.17 5.26 -1.27 3.45 2.01 -1.26 -4.94 115.64 117.72 1r4a s THR 48 Ca 0.60 -1.91 -0.09 0.00 0.31 0.00 0.00 61.69 60.61 1r4a s THR 48 Cb -0.62 -4.50 0.17 0.00 0.01 0.00 0.00 72.50 67.56 1r4a s THR 48 CO 0.59 -1.10 1.87 -0.38 -0.69 0.00 0.00 174.62 174.91 1r4a n ILE 49 N 4.71 4.40 0.00 1.82 5.41 -1.26 -3.81 119.36 130.63 1r4a n ILE 49 Ca 0.07 -4.46 0.00 0.00 1.00 0.00 0.00 62.75 59.35 1r4a n ILE 49 Cb 0.45 -2.34 0.00 0.00 -0.71 0.00 0.00 39.64 37.04 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 2.71 -0.07 3.73 7.39 0.00 -1.26 -5.08 105.19 112.61 1r4a n GLY 50 Ca 0.39 -0.25 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.27 0.01 1.61 -0.12 -1.26 -2.28 117.98 115.67 1r4a s PHE 51 Ca 0.00 -0.10 0.05 0.00 -0.05 0.00 0.00 56.93 56.83 1r4a s PHE 51 Cb 0.00 0.66 -0.02 0.00 -0.63 0.00 0.00 43.02 43.03 1r4a s PHE 51 CO 0.00 -1.08 -0.16 -0.80 -0.05 0.00 0.00 175.22 173.14 1r4a s ASN 52 N -2.87 1.86 -0.06 1.98 0.01 -0.44 -5.00 114.94 110.42 1r4a s ASN 52 Ca 0.09 -0.36 -0.00 0.00 -0.71 0.00 0.00 52.86 51.87 1r4a s ASN 52 Cb -0.04 -0.18 0.03 0.00 0.41 0.00 0.00 41.25 41.47 1r4a s ASN 52 CO 0.01 0.14 -0.02 -0.69 -1.51 0.00 0.00 177.10 175.03 1r4a s VAL 53 N -0.55 0.48 0.05 1.60 1.01 -1.26 -0.75 120.40 120.98 1r4a s VAL 53 Ca 0.05 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.04 1r4a s VAL 53 Cb -0.07 -0.57 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 1r4a s VAL 53 CO 0.00 0.25 -0.06 -0.70 0.00 0.00 0.00 175.10 174.59 1r4a s GLU 54 N 1.50 0.55 -0.27 2.72 2.56 -0.67 -4.99 118.70 120.10 1r4a s GLU 54 Ca -0.02 -0.88 -0.16 0.00 0.00 0.00 0.00 54.97 53.91 1r4a s GLU 54 Cb -0.13 -0.15 -0.03 0.00 2.00 0.00 0.00 34.13 35.82 1r4a s GLU 54 CO -0.03 0.00 0.43 0.99 -0.56 0.00 0.00 175.26 176.09 1r4a s THR 55 N -2.06 5.13 -0.05 -1.70 2.01 -1.26 -0.83 115.64 116.88 1r4a s THR 55 Ca -0.06 0.68 0.04 0.00 0.31 0.00 0.00 61.69 62.67 1r4a s THR 55 Cb -0.05 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 1r4a s THR 55 CO -0.02 0.12 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.17 1r4a s VAL 56 N 2.17 2.76 -0.15 3.82 1.01 0.34 -4.94 120.40 125.40 1r4a s VAL 56 Ca 0.17 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1r4a s VAL 56 Cb -0.16 -2.06 -0.00 0.00 0.00 0.00 0.00 36.38 34.16 1r4a s VAL 56 CO 0.10 0.58 -0.15 0.42 0.00 0.00 0.00 175.10 176.05 1r4a s THR 57 N -0.54 2.70 0.00 3.92 -4.23 -1.26 -0.37 115.64 115.87 1r4a s THR 57 Ca 0.07 -0.76 0.00 0.00 -1.18 0.00 0.00 61.69 59.82 1r4a s THR 57 Cb -0.11 -2.14 0.00 0.00 1.34 0.00 0.00 72.50 71.59 1r4a s THR 57 CO 0.01 0.51 0.00 0.00 -0.54 0.00 0.00 174.62 174.60 1r4a n TYR 58 N 4.02 0.00 -2.15 3.99 9.36 -1.07 -4.77 117.16 126.55 1r4a n TYR 58 Ca -0.19 0.00 -0.43 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 39.23 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 3.08 -0.51 2.98 4.81 -1.26 -4.36 118.16 122.90 1r4a n LYS 59 Ca 0.00 -3.00 0.00 0.00 -0.87 0.00 0.00 58.31 54.44 1r4a n LYS 59 Cb 0.00 -3.30 0.00 0.00 0.02 0.00 0.00 35.03 31.75 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 6.56 -2.03 -4.93 3.14 0.23 -1.26 -4.91 115.26 112.06 1r4a n ASN 60 Ca 0.49 0.00 -0.25 0.00 -0.53 0.00 0.00 54.58 54.28 1r4a n ASN 60 Cb 0.41 -2.13 0.06 0.00 -2.08 0.00 0.00 39.78 36.05 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 0.00 2.89 -0.02 -4.53 1.43 -1.26 -5.07 118.68 112.11 1r4a s LEU 61 Ca 0.00 0.41 0.04 0.00 -1.03 0.00 0.00 54.13 53.56 1r4a s LEU 61 Cb 0.00 -3.10 -0.01 0.00 0.03 0.00 0.00 46.19 43.12 1r4a s LEU 61 CO 0.00 -1.52 -0.16 -0.75 0.23 0.00 0.00 176.35 174.15 1r4a s LYS 62 N -5.18 1.45 -0.02 1.70 2.47 -1.26 -2.60 119.74 116.29 1r4a s LYS 62 Ca 0.60 -0.56 -0.03 0.00 -1.56 0.00 0.00 55.97 54.42 1r4a s LYS 62 Cb -0.11 -1.33 0.01 0.00 -1.46 0.00 0.00 37.83 34.93 1r4a s LYS 62 CO 0.44 0.29 0.07 -0.06 0.16 0.00 0.00 175.35 176.25 1r4a s PHE 63 N -0.17 -0.06 -0.55 4.03 0.40 0.50 -3.55 117.98 118.59 1r4a s PHE 63 Ca 0.02 0.14 -0.17 0.00 -0.60 0.00 0.00 56.93 56.32 1r4a s PHE 63 Cb -0.08 0.01 0.12 0.00 0.51 0.00 0.00 43.02 43.58 1r4a s PHE 63 CO 0.00 -0.06 0.53 -1.14 0.70 0.00 0.00 175.22 175.26 1r4a s GLN 64 N -0.10 3.00 -0.18 0.44 0.74 -0.86 -0.51 119.66 122.19 1r4a s GLN 64 Ca -0.01 -1.62 -0.16 0.00 0.05 0.00 0.00 55.36 53.61 1r4a s GLN 64 Cb -0.01 -4.29 -0.04 0.00 1.10 0.00 0.00 33.01 29.77 1r4a s GLN 64 CO 0.00 -1.36 0.39 0.08 -0.55 0.00 0.00 175.29 173.86 1r4a s VAL 65 N 1.80 5.22 -0.20 1.34 1.01 -0.01 -2.29 120.40 127.26 1r4a s VAL 65 Ca 0.05 0.71 -0.06 0.00 0.00 0.00 0.00 61.98 62.68 1r4a s VAL 65 Cb -0.29 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 1r4a s VAL 65 CO 0.04 0.29 0.03 0.26 0.00 0.00 0.00 175.10 175.71 1r4a s TRP 66 N 1.07 3.10 -0.33 5.22 0.52 0.47 -1.67 118.94 127.32 1r4a s TRP 66 Ca 0.20 -0.28 -0.04 0.00 0.02 0.00 0.00 56.10 56.00 1r4a s TRP 66 Cb -0.14 -2.10 0.06 0.00 -1.15 0.00 0.00 33.47 30.13 1r4a s TRP 66 CO 0.08 -0.13 0.07 0.34 0.02 0.00 0.00 176.95 177.32 1r4a s ASP 67 N 0.89 5.10 -0.18 2.95 2.15 0.07 0.29 116.67 127.95 1r4a s ASP 67 Ca 0.02 -1.35 -0.11 0.00 0.43 0.00 0.00 52.55 51.54 1r4a s ASP 67 Cb -0.14 -1.79 -0.05 0.00 -0.30 0.00 0.00 42.92 40.64 1r4a s ASP 67 CO 0.02 -0.33 0.17 -0.76 -0.17 0.00 0.00 175.17 174.10 1r4a s LEU 68 N 1.29 4.24 0.40 -1.34 1.43 -1.16 -1.33 118.68 122.21 1r4a s LEU 68 Ca -0.02 0.33 -0.27 0.00 -1.03 0.00 0.00 54.13 53.14 1r4a s LEU 68 Cb -0.20 -2.16 -0.10 0.00 0.03 0.00 0.00 46.19 43.76 1r4a s LEU 68 CO -0.00 0.19 1.45 0.61 0.23 0.00 0.00 176.35 178.83 1r4a n GLY 69 N 3.27 1.08 0.52 -3.19 0.00 -0.96 -4.77 105.19 101.14 1r4a n GLY 69 Ca -0.16 0.27 0.05 0.00 0.00 0.00 0.00 46.02 46.18 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 0.52 2.88 3.71 -0.02 0.00 -1.26 -4.59 105.19 106.43 1r4a n GLY 70 Ca 0.03 -0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.09 1.52 0.00 1.61 -2.07 -1.26 -3.25 119.66 115.13 1r4a s GLN 71 Ca 0.19 1.37 0.00 0.00 -1.82 0.00 0.00 55.36 55.11 1r4a s GLN 71 Cb 0.11 -1.80 0.00 0.00 -1.09 0.00 0.00 33.01 30.23 1r4a s GLN 71 CO 0.12 -2.22 0.78 2.41 -1.32 0.00 0.00 175.29 175.06 1r4a n THR 72 N -3.94 0.00 -0.04 3.63 -1.04 -1.26 -2.74 114.28 108.89 1r4a n THR 72 Ca 0.11 1.17 0.23 0.00 -2.04 0.00 0.00 64.05 63.52 1r4a n THR 72 Cb 0.53 -1.57 0.72 0.00 -1.82 0.00 0.00 70.33 68.18 1r4a n THR 72 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1r4a h SER 73 N 0.00 0.00 0.11 8.00 4.64 -2.01 -2.66 113.55 121.63 1r4a h SER 73 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r4a h SER 73 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1r4a h SER 73 CO 0.00 0.00 -1.21 2.30 -0.87 0.00 0.00 176.83 177.05 1r4a n ILE 74 N -4.14 0.03 -0.30 0.95 -5.35 -1.11 -4.41 119.36 105.03 1r4a n ILE 74 Ca 0.12 -0.16 0.06 0.00 -0.27 0.00 0.00 62.75 62.51 1r4a n ILE 74 Cb 0.75 0.59 0.27 0.00 -1.74 0.00 0.00 39.64 39.51 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 0.00 0.91 0.00 6.28 2.43 -1.27 -1.80 114.38 120.94 1r4a h ARG 75 Ca 0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1r4a h ARG 75 Cb 0.66 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1r4a h ARG 75 CO 0.00 0.61 0.11 -1.35 -1.51 0.00 0.00 179.97 177.82 1r4a h PRO 76 N 0.94 0.00 -0.29 0.20 0.11 -1.77 -0.38 132.00 130.81 1r4a h PRO 76 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 1r4a h PRO 76 Cb 0.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.47 1r4a h PRO 76 CO -0.18 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.27 1r4a n TYR 77 N -2.24 0.37 -0.09 0.65 0.53 -0.67 -4.36 117.16 111.34 1r4a n TYR 77 Ca -0.01 -0.18 -0.07 0.00 -1.02 0.00 0.00 57.90 56.61 1r4a n TYR 77 Cb 0.14 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.45 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 3.55 0.24 0.00 -0.72 6.55 -1.20 -2.55 115.95 121.82 1r4a h TRP 78 Ca 0.00 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.85 1r4a h TRP 78 Cb 0.78 -0.06 0.00 0.00 -0.86 0.00 0.00 29.16 29.02 1r4a h TRP 78 CO 0.18 0.12 0.15 2.89 -1.05 0.00 0.00 178.44 180.73 1r4a n ARG 79 N -4.99 0.11 0.13 0.49 1.85 -1.26 -1.44 116.66 111.55 1r4a n ARG 79 Ca 0.00 0.60 0.12 0.00 -1.00 0.00 0.00 57.85 57.57 1r4a n ARG 79 Cb 0.10 -2.02 0.49 0.00 -1.05 0.00 0.00 32.46 29.98 1r4a n ARG 79 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1r4a n TYR 81 N -2.23 0.00 0.31 0.00 4.01 -0.52 -4.67 117.16 114.05 1r4a n TYR 81 Ca 0.02 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.94 1r4a n TYR 81 Cb 0.23 0.00 0.99 0.00 -0.31 0.00 0.00 39.34 40.25 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 1.63 0.00 -2.73 -0.72 0.05 -1.66 -3.45 116.97 110.09 1r4a h TYR 82 Ca 0.00 0.00 -0.59 0.00 0.05 0.00 0.00 58.73 58.19 1r4a h TYR 82 Cb 0.46 0.00 0.10 0.00 1.01 0.00 0.00 36.73 38.30 1r4a h TYR 82 CO 0.00 0.02 0.43 0.45 -1.05 0.00 0.00 178.16 178.00 1r4a n SER 83 N -3.52 2.25 -3.90 3.88 2.88 -1.26 -2.61 113.62 111.35 1r4a n SER 83 Ca -0.03 1.17 -0.31 0.00 -1.33 0.00 0.00 58.87 58.38 1r4a n SER 83 Cb 0.11 -1.39 0.01 0.00 -0.75 0.00 0.00 64.21 62.19 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 1.50 -4.40 -4.69 -3.46 3.02 -1.26 -4.96 115.26 101.01 1r4a n ASN 84 Ca 0.09 -0.77 -0.38 0.00 -0.03 0.00 0.00 54.58 53.49 1r4a n ASN 84 Cb 0.32 -3.54 -0.07 0.00 -0.61 0.00 0.00 39.78 35.88 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 -3.24 5.18 -0.01 3.41 2.01 -1.07 -4.67 115.64 117.24 1r4a s THR 85 Ca 0.65 0.82 -0.10 0.00 0.31 0.00 0.00 61.69 63.36 1r4a s THR 85 Cb -0.33 -3.77 -0.31 0.00 0.01 0.00 0.00 72.50 68.09 1r4a s THR 85 CO 0.80 0.26 0.80 0.44 -0.69 0.00 0.00 174.62 176.24 1r4a h ASP 86 N 7.17 0.62 -5.05 3.53 3.32 -1.75 -3.40 116.42 120.86 1r4a h ASP 86 Ca -0.37 -0.83 -0.06 0.00 0.02 0.00 0.00 57.03 55.79 1r4a h ASP 86 Cb 1.16 -0.20 -0.14 0.00 0.22 0.00 0.00 39.33 40.37 1r4a h ASP 86 CO 0.74 1.69 -0.05 0.00 -1.72 0.00 0.00 179.24 179.89 1r4a s ALA 87 N -2.59 -1.04 -0.21 3.45 0.00 -1.25 -2.32 121.76 117.79 1r4a s ALA 87 Ca -0.12 0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.00 1r4a s ALA 87 Cb 0.05 0.59 0.04 0.00 0.00 0.00 0.00 23.12 23.81 1r4a s ALA 87 CO 0.88 -0.59 -0.12 0.08 0.00 0.00 0.00 175.76 176.01 1r4a s VAL 88 N -3.32 1.85 -0.48 0.00 1.01 -0.57 -2.02 120.40 116.87 1r4a s VAL 88 Ca -0.00 -1.18 -0.21 0.00 0.00 0.00 0.00 61.98 60.59 1r4a s VAL 88 Cb 0.01 -1.90 0.04 0.00 0.00 0.00 0.00 36.38 34.53 1r4a s VAL 88 CO -0.09 0.17 0.70 -0.63 0.00 0.00 0.00 175.10 175.25 1r4a s ILE 89 N 1.30 4.75 -0.45 2.22 1.01 -0.59 -1.90 121.20 127.54 1r4a s ILE 89 Ca -0.02 0.01 -0.16 0.00 0.00 0.00 0.00 60.65 60.47 1r4a s ILE 89 Cb -0.17 -4.30 0.05 0.00 0.01 0.00 0.00 42.46 38.05 1r4a s ILE 89 CO -0.08 -0.75 0.40 -0.47 0.00 0.00 0.00 174.94 174.04 1r4a s TYR 90 N 3.00 3.21 -0.04 3.97 5.04 -0.53 -1.20 117.35 130.80 1r4a s TYR 90 Ca 0.23 -0.71 -0.25 0.00 -2.44 0.00 0.00 57.07 53.89 1r4a s TYR 90 Cb -0.15 -3.02 -0.04 0.00 0.35 0.00 0.00 41.96 39.11 1r4a s TYR 90 CO 0.18 -0.75 0.77 0.08 -1.34 0.00 0.00 175.55 174.48 1r4a s VAL 91 N 1.84 4.98 -0.06 3.14 1.01 0.28 -1.39 120.40 130.18 1r4a s VAL 91 Ca 0.07 1.59 0.02 0.00 0.00 0.00 0.00 61.98 63.66 1r4a s VAL 91 Cb -0.21 -4.11 0.02 0.00 0.00 0.00 0.00 36.38 32.08 1r4a s VAL 91 CO 0.09 0.25 -0.10 -0.69 0.00 0.00 0.00 175.10 174.65 1r4a s VAL 92 N 0.74 0.97 -0.19 2.92 1.01 -0.69 -4.32 120.40 120.84 1r4a s VAL 92 Ca 0.41 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.73 1r4a s VAL 92 Cb -0.19 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 1r4a s VAL 92 CO 0.21 0.32 1.54 -0.62 0.00 0.00 0.00 175.10 176.55 1r4a s ASP 93 N 0.84 6.55 0.32 3.32 -1.08 -1.26 -1.72 116.67 123.63 1r4a s ASP 93 Ca -0.12 1.71 0.02 0.00 -0.52 0.00 0.00 52.55 53.64 1r4a s ASP 93 Cb -0.15 -2.53 0.54 0.00 -1.46 0.00 0.00 42.92 39.31 1r4a s ASP 93 CO 0.02 -1.10 1.90 0.28 0.52 0.00 0.00 175.17 176.78 1r4a h SER 94 N 9.98 0.67 1.44 -0.34 0.02 -1.75 -3.15 113.55 120.41 1r4a h SER 94 Ca -0.33 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.50 1r4a h SER 94 Cb 1.14 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 1r4a h SER 94 CO 0.99 0.62 -0.57 0.00 -1.14 0.00 0.00 176.83 176.73 1r4a n ASP 96 N -2.95 3.19 0.07 0.00 -0.08 -1.19 -4.72 116.55 110.86 1r4a n ASP 96 Ca 0.01 -2.72 -0.03 0.00 -1.51 0.00 0.00 54.79 50.54 1r4a n ASP 96 Cb 0.60 -1.62 0.22 0.00 2.34 0.00 0.00 41.12 42.66 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 9.02 0.33 -0.41 -0.67 3.08 -1.87 -3.12 114.38 120.75 1r4a h ARG 97 Ca 0.29 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 60.15 1r4a h ARG 97 Cb 0.87 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.89 1r4a h ARG 97 CO 1.41 0.65 0.05 -0.44 -1.07 0.00 0.00 179.97 180.57 1r4a h ASP 98 N 0.28 0.59 -0.48 7.04 3.32 -2.00 -3.25 116.42 121.93 1r4a h ASP 98 Ca 0.03 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1r4a h ASP 98 Cb 0.76 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1r4a h ASP 98 CO 0.06 0.63 0.00 0.54 -1.72 0.00 0.00 179.24 178.75 1r4a n ARG 99 N -4.28 3.57 0.16 3.56 1.74 -1.19 -4.52 116.66 115.70 1r4a n ARG 99 Ca 0.02 -2.79 0.01 0.00 -0.77 0.00 0.00 57.85 54.32 1r4a n ARG 99 Cb 0.24 -1.84 0.26 0.00 -1.02 0.00 0.00 32.46 30.10 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 3.08 1.26 -0.05 0.55 2.10 -1.58 -2.75 117.51 120.13 1r4a h ILE 100 Ca 0.00 -1.75 -0.06 0.00 1.08 0.00 0.00 64.86 64.12 1r4a h ILE 100 Cb 1.43 1.97 -0.01 0.00 -1.09 0.00 0.00 36.82 39.12 1r4a h ILE 100 CO 0.24 0.49 -0.26 1.23 -1.08 0.00 0.00 178.15 178.77 1r4a h GLY 101 N 1.70 0.10 1.27 8.18 0.00 -1.83 -2.41 103.07 110.07 1r4a h GLY 101 Ca -0.00 -0.07 -0.24 0.00 0.00 0.00 0.00 47.33 47.02 1r4a h GLY 101 CO 0.06 0.06 -0.91 -2.22 0.00 0.00 0.00 176.54 173.54 1r4a h ILE 102 N 0.08 1.30 -0.83 2.60 2.04 -1.81 -2.81 117.51 118.09 1r4a h ILE 102 Ca 0.01 -2.16 0.10 0.00 1.00 0.00 0.00 64.86 63.81 1r4a h ILE 102 Cb 0.50 2.21 -0.06 0.00 -0.74 0.00 0.00 36.82 38.74 1r4a h ILE 102 CO 0.04 0.67 0.54 0.28 0.00 0.00 0.00 178.15 179.67 1r4a h SER 103 N 0.43 0.70 -0.24 1.72 0.02 -1.21 -1.00 113.55 113.96 1r4a h SER 103 Ca -0.09 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 1r4a h SER 103 Cb 1.55 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.95 1r4a h SER 103 CO 0.18 0.41 0.03 0.50 -1.14 0.00 0.00 176.83 176.80 1r4a h LYS 104 N 0.77 0.41 -0.61 3.45 3.64 -1.31 -1.32 116.57 121.60 1r4a h LYS 104 Ca 0.38 -0.12 0.11 0.00 -1.27 0.00 0.00 60.65 59.76 1r4a h LYS 104 Cb 0.45 -0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.14 1r4a h LYS 104 CO -0.15 0.56 0.15 0.77 -2.27 0.00 0.00 179.45 178.51 1r4a h SER 105 N 0.21 0.05 -0.24 4.20 0.02 -0.95 0.82 113.55 117.64 1r4a h SER 105 Ca 0.07 0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 1r4a h SER 105 Cb 0.36 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 1r4a h SER 105 CO 0.01 0.03 0.07 -0.33 -1.14 0.00 0.00 176.83 175.46 1r4a h GLU 106 N 0.29 0.39 -0.86 3.45 4.39 -1.14 -1.90 114.58 119.19 1r4a h GLU 106 Ca 0.32 -0.09 0.02 0.00 0.34 0.00 0.00 59.36 59.95 1r4a h GLU 106 Cb 0.47 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.02 1r4a h GLU 106 CO -0.39 0.48 0.57 1.25 -1.16 0.00 0.00 179.01 179.75 1r4a h LEU 107 N 0.22 0.96 -0.75 1.33 5.85 -0.43 -2.13 115.31 120.36 1r4a h LEU 107 Ca 0.08 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 1r4a h LEU 107 Cb 0.26 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1r4a h LEU 107 CO -0.00 0.68 -0.06 0.58 -0.34 0.00 0.00 178.44 179.30 1r4a h VAL 108 N 1.13 1.26 0.08 1.05 2.07 -0.76 -2.61 116.25 118.47 1r4a h VAL 108 Ca 0.33 -1.15 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 1r4a h VAL 108 Cb -0.07 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1r4a h VAL 108 CO -0.09 0.40 -0.04 0.00 0.02 0.00 0.00 177.57 177.87 1r4a h ALA 109 N 1.12 -0.11 0.00 1.67 0.00 -0.77 -3.02 119.26 118.15 1r4a h ALA 109 Ca 0.14 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1r4a h ALA 109 Cb 0.57 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1r4a h ALA 109 CO 0.03 -0.51 -0.26 0.00 0.00 0.00 0.00 179.25 178.51 1r4a h MET 110 N -0.21 0.00 0.00 0.00 -0.00 -1.38 -2.71 114.93 110.63 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 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.77 1r4a h MET 110 CO 0.02 0.26 0.00 -0.07 -0.00 0.00 0.00 176.91 177.12 1r4a h LEU 111 N 0.00 0.00 -0.14 -0.10 3.38 -1.34 -2.28 115.31 114.84 1r4a h LEU 111 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1r4a h LEU 111 Cb 0.50 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1r4a h LEU 111 CO 0.03 0.00 -0.65 -0.33 0.09 0.00 0.00 178.44 177.58 1r4a h GLU 112 N 0.00 0.00 -6.27 1.13 5.08 -1.44 -3.46 114.58 109.62 1r4a h GLU 112 Ca 0.00 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.71 1r4a h GLU 112 Cb 0.49 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.77 1r4a h GLU 112 CO 0.00 0.65 0.95 -1.91 -1.00 0.00 0.00 179.01 177.70 1r4a n GLU 113 N -3.32 1.82 0.28 2.33 4.07 -0.86 -4.87 120.64 120.09 1r4a n GLU 113 Ca 0.01 0.66 0.14 0.00 -0.06 0.00 0.00 57.16 57.92 1r4a n GLU 113 Cb 0.77 -2.44 0.84 0.00 -0.06 0.00 0.00 31.44 30.55 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 7.83 0.00 -0.00 5.31 4.57 -1.88 -2.48 114.58 127.94 1r4a h GLU 114 Ca -0.47 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1r4a h GLU 114 Cb 1.29 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 1r4a h GLU 114 CO 0.93 0.06 -0.13 0.39 -1.18 0.00 0.00 179.01 179.08 1r4a n GLU 115 N -3.70 0.19 -0.03 1.92 1.02 -1.26 -3.50 120.64 115.28 1r4a n GLU 115 Ca -0.02 -0.05 0.09 0.00 -0.02 0.00 0.00 57.16 57.16 1r4a n GLU 115 Cb 0.16 -1.50 0.09 0.00 -0.02 0.00 0.00 31.44 30.17 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 -1.36 2.54 -0.30 -4.62 4.77 -0.94 -4.60 117.00 112.48 1r4a n LEU 116 Ca 0.09 -1.09 0.07 0.00 -0.03 0.00 0.00 56.01 55.05 1r4a n LEU 116 Cb 0.31 -0.03 0.18 0.00 -2.33 0.00 0.00 43.42 41.55 1r4a n LEU 116 CO 0.28 0.47 0.77 0.03 -1.33 0.00 0.00 177.39 177.61 1r4a h ARG 117 N 3.38 0.04 -0.01 3.23 2.47 -1.59 -1.08 114.38 120.81 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 0.73 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.05 1r4a h ARG 117 CO 0.00 0.03 -0.11 1.63 0.56 0.00 0.00 179.97 182.08 1r4a n LYS 118 N -5.46 1.48 -2.54 0.04 4.76 -1.26 -4.93 118.16 110.25 1r4a n LYS 118 Ca 0.16 -0.96 -0.38 0.00 -2.87 0.00 0.00 58.31 54.26 1r4a n LYS 118 Cb 0.54 -1.48 -0.04 0.00 -1.84 0.00 0.00 35.03 32.21 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 -2.18 3.23 0.22 7.82 0.00 -0.41 -4.98 121.76 125.47 1r4a s ALA 119 Ca 0.31 0.76 -0.04 0.00 0.00 0.00 0.00 51.96 53.00 1r4a s ALA 119 Cb 0.20 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.99 1r4a s ALA 119 CO 0.40 -0.14 0.46 0.96 0.00 0.00 0.00 175.76 177.44 1r4a s ILE 120 N -1.44 5.11 -0.19 0.00 -4.36 -0.98 -4.85 121.20 114.50 1r4a s ILE 120 Ca 0.51 -0.06 -0.05 0.00 -0.26 0.00 0.00 60.65 60.79 1r4a s ILE 120 Cb -0.26 -3.70 -0.03 0.00 1.25 0.00 0.00 42.46 39.72 1r4a s ILE 120 CO 0.33 -0.18 -0.00 -0.22 0.24 0.00 0.00 174.94 175.11 1r4a s LEU 121 N -3.23 3.31 -0.22 0.37 2.96 -0.79 -1.52 118.68 119.57 1r4a s LEU 121 Ca 0.42 -0.16 0.01 0.00 -0.22 0.00 0.00 54.13 54.18 1r4a s LEU 121 Cb -0.11 -1.83 0.05 0.00 0.50 0.00 0.00 46.19 44.80 1r4a s LEU 121 CO 0.28 0.10 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.63 1r4a s VAL 122 N 0.80 1.66 -0.12 1.68 1.01 -0.80 -2.86 120.40 121.77 1r4a s VAL 122 Ca 0.00 -1.16 -0.17 0.00 0.00 0.00 0.00 61.98 60.66 1r4a s VAL 122 Cb -0.14 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 1r4a s VAL 122 CO 0.02 0.05 0.41 -0.69 0.00 0.00 0.00 175.10 174.89 1r4a s VAL 123 N 1.36 5.22 -0.38 2.92 1.01 -0.55 -1.45 120.40 128.53 1r4a s VAL 123 Ca -0.04 0.82 -0.09 0.00 0.00 0.00 0.00 61.98 62.67 1r4a s VAL 123 Cb -0.18 -3.75 0.04 0.00 0.00 0.00 0.00 36.38 32.50 1r4a s VAL 123 CO -0.07 0.36 0.19 -0.36 0.00 0.00 0.00 175.10 175.22 1r4a s PHE 124 N 0.47 3.27 -1.05 5.22 2.99 -0.49 -1.70 117.98 126.70 1r4a s PHE 124 Ca 0.23 -1.24 -0.21 0.00 0.00 0.00 0.00 56.93 55.71 1r4a s PHE 124 Cb -0.14 -2.52 0.08 0.00 0.00 0.00 0.00 43.02 40.44 1r4a s PHE 124 CO 0.08 -0.72 1.42 0.00 -0.00 0.00 0.00 175.22 176.00 1r4a s ALA 125 N 1.48 3.01 0.67 5.36 0.00 0.17 -1.70 121.76 130.75 1r4a s ALA 125 Ca 0.01 -2.52 -0.11 0.00 0.00 0.00 0.00 51.96 49.33 1r4a s ALA 125 Cb -0.20 -4.42 -0.01 0.00 0.00 0.00 0.00 23.12 18.49 1r4a s ALA 125 CO 0.04 -3.39 1.06 1.21 0.00 0.00 0.00 175.76 174.69 1r4a s ASN 126 N 4.46 5.74 -0.90 0.00 2.47 -0.70 -0.85 114.94 125.17 1r4a s ASN 126 Ca 0.44 1.33 -0.01 0.00 0.42 0.00 0.00 52.86 55.04 1r4a s ASN 126 Cb -0.01 -2.25 0.00 0.00 -1.45 0.00 0.00 41.25 37.54 1r4a s ASN 126 CO -0.07 -1.17 0.19 0.29 -3.72 0.00 0.00 177.10 172.62 1r4a n LYS 127 N -2.93 -1.91 0.00 0.43 5.02 -0.54 -2.16 118.16 116.07 1r4a n LYS 127 Ca 0.07 0.52 0.07 0.00 -2.02 0.00 0.00 58.31 56.95 1r4a n LYS 127 Cb 0.55 -4.58 0.43 0.00 -0.02 0.00 0.00 35.03 31.42 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 -2.34 0.52 0.00 1.97 1.13 -0.27 -1.95 117.38 116.45 1r4a n GLN 128 Ca -0.09 0.00 0.14 0.00 -1.94 0.00 0.00 57.00 55.10 1r4a n GLN 128 Cb 0.58 -1.44 0.51 0.00 0.11 0.00 0.00 30.24 30.00 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 -0.94 0.85 -4.64 1.08 5.75 -1.26 -4.79 116.55 112.60 1r4a n ASP 129 Ca 0.11 -0.88 -0.39 0.00 -0.01 0.00 0.00 54.79 53.63 1r4a n ASP 129 Cb 0.05 0.03 -0.08 0.00 -1.03 0.00 0.00 41.12 40.09 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 -2.39 4.10 0.51 0.11 -1.94 -0.82 -4.95 119.30 113.92 1r4a s MET 130 Ca 0.29 0.17 0.16 0.00 -1.71 0.00 0.00 55.69 54.61 1r4a s MET 130 Cb 0.20 -3.60 0.89 0.00 2.01 0.00 0.00 34.83 34.32 1r4a s MET 130 CO 0.47 -0.19 1.44 1.49 -0.01 0.00 0.00 175.02 178.21 1r4a h GLU 131 N 7.79 0.00 -0.45 2.03 4.81 -1.89 0.12 114.58 126.99 1r4a h GLU 131 Ca -0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1r4a h GLU 131 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1r4a h GLU 131 CO 0.69 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 180.01 1r4a n GLN 132 N -2.42 2.49 -2.01 1.92 1.13 -1.26 -4.99 117.38 112.24 1r4a n GLN 132 Ca -0.01 -2.30 -0.41 0.00 -1.94 0.00 0.00 57.00 52.34 1r4a n GLN 132 Cb 0.49 -1.48 -0.02 0.00 0.11 0.00 0.00 30.24 29.35 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 -1.25 3.58 0.89 -1.58 0.00 0.43 -4.60 121.76 119.22 1r4a s ALA 133 Ca 0.38 1.34 -0.12 0.00 0.00 0.00 0.00 51.96 53.56 1r4a s ALA 133 Cb 0.21 -3.54 0.13 0.00 0.00 0.00 0.00 23.12 19.92 1r4a s ALA 133 CO 0.29 -0.76 1.12 0.00 0.00 0.00 0.00 175.76 176.41 1r4a s MET 134 N -1.13 1.29 0.30 0.00 0.23 -0.88 -4.93 119.30 114.18 1r4a s MET 134 Ca 0.55 0.44 -0.14 0.00 -1.03 0.00 0.00 55.69 55.51 1r4a s MET 134 Cb -0.42 -1.84 -0.09 0.00 -1.53 0.00 0.00 34.83 30.95 1r4a s MET 134 CO 0.50 -2.13 0.70 0.95 -2.03 0.00 0.00 175.02 173.01 1r4a s THR 135 N -3.18 4.73 0.43 3.16 -4.23 -1.26 -4.93 115.64 110.36 1r4a s THR 135 Ca 0.63 0.87 0.20 0.00 -1.18 0.00 0.00 61.69 62.21 1r4a s THR 135 Cb -0.15 -3.63 0.40 0.00 1.34 0.00 0.00 72.50 70.46 1r4a s THR 135 CO 0.54 -0.13 1.85 -0.65 -0.54 0.00 0.00 174.62 175.69 1r4a h PRO 136 N 2.40 0.33 -0.35 3.99 0.11 -1.96 0.12 132.00 136.63 1r4a h PRO 136 Ca -0.48 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.45 1r4a h PRO 136 Cb 1.17 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1r4a h PRO 136 CO 0.66 0.22 -0.44 0.77 -0.21 0.00 0.00 178.00 179.00 1r4a h SER 137 N 0.34 0.98 0.08 -2.05 0.02 -1.98 0.18 113.55 111.11 1r4a h SER 137 Ca 0.48 -0.47 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1r4a h SER 137 Cb 1.32 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.58 1r4a h SER 137 CO -0.17 1.27 -0.04 -0.33 -1.14 0.00 0.00 176.83 176.42 1r4a h GLU 138 N 0.73 -0.10 -0.16 3.45 5.08 -1.22 -2.37 114.58 119.98 1r4a h GLU 138 Ca 0.05 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1r4a h GLU 138 Cb 1.03 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1r4a h GLU 138 CO 0.10 0.05 0.10 1.98 -1.00 0.00 0.00 179.01 180.25 1r4a h MET 139 N -0.24 0.22 -0.56 2.33 4.05 -1.07 -2.05 114.93 117.61 1r4a h MET 139 Ca -0.01 -0.02 0.10 0.00 -0.28 0.00 0.00 59.70 59.50 1r4a h MET 139 Cb 0.20 -0.05 -0.08 0.00 -0.80 0.00 0.00 31.60 30.87 1r4a h MET 139 CO 0.02 0.17 0.10 0.00 0.23 0.00 0.00 176.91 177.43 1r4a h ALA 140 N 1.04 0.63 -0.43 0.39 0.00 -0.57 0.10 119.26 120.41 1r4a h ALA 140 Ca 0.06 0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 1r4a h ALA 140 Cb 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1r4a h ALA 140 CO -0.01 -0.32 -0.27 -0.91 0.00 0.00 0.00 179.25 177.74 1r4a h ASN 141 N 0.23 0.94 0.09 0.00 2.35 -1.30 -1.58 115.58 116.31 1r4a h ASN 141 Ca 0.29 -0.37 -0.06 0.00 -0.55 0.00 0.00 56.30 55.60 1r4a h ASN 141 Cb 0.42 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1r4a h ASN 141 CO -0.39 1.14 -0.20 0.00 -1.65 0.00 0.00 177.43 176.33 1r4a h ALA 142 N 0.92 1.43 0.00 -0.83 0.00 -0.75 -2.28 119.26 117.75 1r4a h ALA 142 Ca 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1r4a h ALA 142 Cb 0.83 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1r4a h ALA 142 CO 0.07 0.40 -0.33 1.28 0.00 0.00 0.00 179.25 180.67 1r4a n LEU 143 N -4.21 0.46 -0.13 0.00 4.77 -0.04 -4.90 117.00 112.96 1r4a n LEU 143 Ca -0.01 0.27 -0.01 0.00 -0.03 0.00 0.00 56.01 56.23 1r4a n LEU 143 Cb 0.32 -0.31 -0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1r4a n LEU 143 CO 0.39 0.00 -0.01 0.61 -1.33 0.00 0.00 177.39 177.05 1r4a n GLY 144 N 1.43 0.42 0.24 -0.72 0.00 -0.86 -4.93 105.19 100.77 1r4a n GLY 144 Ca 0.05 -0.95 -0.03 0.00 0.00 0.00 0.00 46.02 45.10 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 0.47 -0.98 0.99 3.38 -1.57 -2.79 115.31 114.81 1r4a h LEU 145 Ca -0.03 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1r4a h LEU 145 Cb 0.47 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1r4a h LEU 145 CO 0.04 0.69 0.05 -2.65 0.09 0.00 0.00 178.44 176.66 1r4a n PRO 146 N -4.15 0.10 -0.20 1.13 -0.02 -1.26 -1.48 135.00 129.12 1r4a n PRO 146 Ca -0.00 0.58 0.08 0.00 -2.02 0.00 0.00 63.50 62.14 1r4a n PRO 146 Cb 0.38 -1.87 0.19 0.00 -0.02 0.00 0.00 33.50 32.18 1r4a n PRO 146 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r4a n ALA 147 N -1.66 2.30 -1.93 3.55 0.00 -1.05 -5.01 120.51 116.70 1r4a n ALA 147 Ca -0.01 -1.09 -0.42 0.00 0.00 0.00 0.00 53.44 51.92 1r4a n ALA 147 Cb 0.08 -0.61 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.07 4.37 -0.14 0.00 2.01 -0.55 -5.01 118.68 118.29 1r4a s LEU 148 Ca 0.30 2.56 0.01 0.00 0.01 0.00 0.00 54.13 57.02 1r4a s LEU 148 Cb 0.16 -3.58 0.00 0.00 0.01 0.00 0.00 46.19 42.79 1r4a s LEU 148 CO 0.22 -0.85 -0.18 -1.59 1.01 0.00 0.00 176.35 174.95 1r4a s LYS 149 N 1.79 3.14 -0.39 1.70 0.00 -1.26 -4.56 119.74 120.16 1r4a s LYS 149 Ca 0.72 -0.80 0.00 0.00 0.00 0.00 0.00 55.97 55.89 1r4a s LYS 149 Cb -0.42 -2.52 0.00 0.00 0.00 0.00 0.00 37.83 34.89 1r4a s LYS 149 CO 0.32 0.04 0.00 -0.25 0.00 0.00 0.00 175.35 175.46 1r4a n ASP 150 N 3.95 -3.47 -4.23 0.03 8.00 -1.26 -5.02 116.55 114.55 1r4a n ASP 150 Ca -0.19 0.09 -0.28 0.00 0.71 0.00 0.00 54.79 55.11 1r4a n ASP 150 Cb 0.52 -1.29 -0.16 0.00 -0.02 0.00 0.00 41.12 40.17 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 -2.24 1.89 -0.34 -1.24 1.81 -1.26 -5.03 118.95 112.53 1r4a s ARG 151 Ca 0.00 -0.79 -0.13 0.00 -1.72 0.00 0.00 55.73 53.09 1r4a s ARG 151 Cb 0.00 -1.77 -0.02 0.00 -0.45 0.00 0.00 34.95 32.71 1r4a s ARG 151 CO 0.00 0.44 0.27 0.15 -0.68 0.00 0.00 175.30 175.48 1r4a s LYS 152 N -0.41 3.51 0.09 3.54 1.02 -1.26 -5.03 119.74 121.20 1r4a s LYS 152 Ca 0.06 -0.59 -0.10 0.00 0.02 0.00 0.00 55.97 55.35 1r4a s LYS 152 Cb -0.10 -3.81 0.01 0.00 -0.52 0.00 0.00 37.83 33.41 1r4a s LYS 152 CO 0.00 -0.47 0.23 1.67 -0.92 0.00 0.00 175.35 175.86 1r4a s TRP 153 N 1.79 0.08 -0.06 3.18 1.48 -1.26 -1.88 118.94 122.27 1r4a s TRP 153 Ca 0.07 -0.49 -0.30 0.00 -1.06 0.00 0.00 56.10 54.33 1r4a s TRP 153 Cb -0.17 0.00 0.07 0.00 -1.16 0.00 0.00 33.47 32.21 1r4a s TRP 153 CO 0.11 -0.57 0.67 -1.14 -4.06 0.00 0.00 176.95 171.96 1r4a s GLN 154 N -3.82 1.04 -0.04 3.25 2.00 -1.13 -5.04 119.66 115.91 1r4a s GLN 154 Ca 0.04 0.28 0.07 0.00 -2.00 0.00 0.00 55.36 53.75 1r4a s GLN 154 Cb 0.04 0.49 -0.02 0.00 0.80 0.00 0.00 33.01 34.32 1r4a s GLN 154 CO -0.11 -0.31 -0.24 -1.50 -0.50 0.00 0.00 175.29 172.63 1r4a s ILE 155 N -1.11 2.19 0.15 -2.34 2.07 -1.26 -1.48 121.20 119.41 1r4a s ILE 155 Ca -0.10 -1.04 0.05 0.00 -1.41 0.00 0.00 60.65 58.14 1r4a s ILE 155 Cb -0.00 -1.78 -0.04 0.00 0.13 0.00 0.00 42.46 40.76 1r4a s ILE 155 CO 0.09 0.58 -0.11 -0.36 -1.91 0.00 0.00 174.94 173.23 1r4a s PHE 156 N -0.45 1.32 -0.12 3.50 0.40 -0.69 -4.99 117.98 116.95 1r4a s PHE 156 Ca 0.05 -0.72 -0.03 0.00 -0.60 0.00 0.00 56.93 55.64 1r4a s PHE 156 Cb -0.11 -0.66 -0.03 0.00 0.51 0.00 0.00 43.02 42.72 1r4a s PHE 156 CO 0.01 0.12 -0.02 -1.59 0.70 0.00 0.00 175.22 174.43 1r4a s LYS 157 N -3.61 3.29 0.34 0.44 -2.85 -1.26 0.46 119.74 116.55 1r4a s LYS 157 Ca 0.16 -0.47 0.05 0.00 -1.00 0.00 0.00 55.97 54.71 1r4a s LYS 157 Cb 0.01 -2.84 -0.03 0.00 -2.06 0.00 0.00 37.83 32.91 1r4a s LYS 157 CO 0.01 0.48 0.19 0.95 0.10 0.00 0.00 175.35 177.09 1r4a s THR 158 N -0.29 0.28 -0.28 3.79 -4.23 -0.03 -4.39 115.64 110.49 1r4a s THR 158 Ca 0.05 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.58 1r4a s THR 158 Cb -0.12 -2.46 0.16 0.00 1.34 0.00 0.00 72.50 71.42 1r4a s THR 158 CO 0.02 0.00 0.43 -0.55 -0.54 0.00 0.00 174.62 173.98 1r4a s SER 159 N -3.43 0.11 0.23 3.99 0.15 -0.56 -1.11 113.70 113.08 1r4a s SER 159 Ca 0.34 -0.15 -0.07 0.00 0.70 0.00 0.00 55.95 56.77 1r4a s SER 159 Cb 0.03 1.23 0.21 0.00 -1.71 0.00 0.00 66.02 65.78 1r4a s SER 159 CO 0.20 -0.33 1.84 0.00 1.20 0.00 0.00 173.24 176.14 1r4a h ALA 160 N 8.15 1.14 -0.23 5.45 0.00 -1.95 0.64 119.26 132.45 1r4a h ALA 160 Ca -0.11 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1r4a h ALA 160 Cb 1.13 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1r4a h ALA 160 CO 0.26 0.67 -0.01 1.79 0.00 0.00 0.00 179.25 181.96 1r4a h THR 161 N 1.23 1.26 0.00 0.00 1.35 -1.96 -3.10 112.91 111.70 1r4a h THR 161 Ca 0.30 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 1r4a h THR 161 Cb 0.08 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1r4a h THR 161 CO -0.04 0.28 -0.34 0.29 -0.25 0.00 0.00 175.52 175.46 1r4a n LYS 162 N -4.65 0.17 -3.08 4.72 4.76 -1.15 -4.96 118.16 113.98 1r4a n LYS 162 Ca -0.04 0.08 -0.13 0.00 -2.87 0.00 0.00 58.31 55.35 1r4a n LYS 162 Cb 0.24 -1.64 0.05 0.00 -1.84 0.00 0.00 35.03 31.85 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 1.39 -0.03 3.31 0.72 0.00 0.22 -5.04 105.19 105.76 1r4a n GLY 163 Ca 0.05 -0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.21 1.92 0.00 2.61 -4.23 -0.75 -4.72 115.64 107.25 1r4a s THR 164 Ca 0.21 -1.49 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 1r4a s THR 164 Cb -0.09 -1.69 0.00 0.00 1.34 0.00 0.00 72.50 72.05 1r4a s THR 164 CO 0.47 0.12 0.00 0.61 -0.54 0.00 0.00 174.62 175.27 1r4a n GLY 165 N 1.34 2.72 0.10 3.99 0.00 -1.26 -1.50 105.19 110.58 1r4a n GLY 165 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 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 0.22 -0.60 0.99 3.38 -1.85 -2.93 115.31 114.52 1r4a h LEU 166 Ca 0.00 -0.42 0.10 0.00 0.09 0.00 0.00 57.88 57.65 1r4a h LEU 166 Cb 0.00 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.61 1r4a h LEU 166 CO 0.00 0.59 0.20 0.44 0.09 0.00 0.00 178.44 179.76 1r4a h ASP 167 N -0.15 0.16 0.11 -0.43 3.32 -1.91 -1.90 116.42 115.62 1r4a h ASP 167 Ca 0.02 0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.17 1r4a h ASP 167 Cb 0.51 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 1r4a h ASP 167 CO 0.02 0.10 -0.15 -0.33 -1.72 0.00 0.00 179.24 177.15 1r4a h GLU 168 N 0.36 -0.30 -0.31 3.56 3.07 -1.97 -1.77 114.58 117.22 1r4a h GLU 168 Ca 0.31 0.02 0.07 0.00 -0.50 0.00 0.00 59.36 59.25 1r4a h GLU 168 Cb 0.40 0.07 -0.07 0.00 -0.84 0.00 0.00 28.75 28.32 1r4a h GLU 168 CO -0.33 -0.20 -0.12 0.00 -1.40 0.00 0.00 179.01 176.96 1r4a h ALA 169 N 0.54 0.15 -0.80 3.43 0.00 -1.26 -1.90 119.26 119.42 1r4a h ALA 169 Ca 0.02 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1r4a h ALA 169 Cb 0.32 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1r4a h ALA 169 CO -0.07 -0.50 0.53 0.52 0.00 0.00 0.00 179.25 179.72 1r4a h MET 170 N -0.06 1.01 -0.61 0.00 2.86 -1.17 -1.10 114.93 115.86 1r4a h MET 170 Ca 0.16 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.75 1r4a h MET 170 Cb 0.30 -0.23 -0.04 0.00 0.06 0.00 0.00 31.60 31.69 1r4a h MET 170 CO -0.35 0.67 0.39 0.93 1.06 0.00 0.00 176.91 179.60 1r4a h GLU 171 N 1.04 0.75 -0.46 1.72 4.39 -0.55 0.21 114.58 121.69 1r4a h GLU 171 Ca 0.30 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.86 1r4a h GLU 171 Cb -0.06 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.41 1r4a h GLU 171 CO -0.08 0.50 -0.08 2.35 -1.16 0.00 0.00 179.01 180.55 1r4a h TRP 172 N 0.78 0.97 0.15 4.33 7.01 -0.87 -2.58 115.95 125.74 1r4a h TRP 172 Ca 0.24 -0.20 -0.01 0.00 2.11 0.00 0.00 58.89 61.03 1r4a h TRP 172 Cb -0.03 -0.24 0.00 0.00 -2.10 0.00 0.00 29.16 26.79 1r4a h TRP 172 CO -0.04 0.95 -0.07 1.25 -2.79 0.00 0.00 178.44 177.73 1r4a h LEU 173 N 0.71 -0.17 -0.66 0.65 5.85 -0.85 -1.15 115.31 119.69 1r4a h LEU 173 Ca 0.12 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.64 1r4a h LEU 173 Cb 0.61 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 1r4a h LEU 173 CO 0.04 0.15 0.41 0.58 -0.34 0.00 0.00 178.44 179.28 1r4a h VAL 174 N -0.49 1.10 -0.16 1.05 2.07 -1.02 -2.18 116.25 116.61 1r4a h VAL 174 Ca -0.02 -0.28 -0.17 0.00 0.82 0.00 0.00 66.70 67.05 1r4a h VAL 174 Cb 0.39 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1r4a h VAL 174 CO 0.03 0.15 -0.59 -0.33 0.02 0.00 0.00 177.57 176.85 1r4a h GLU 175 N 0.82 0.53 -0.49 1.57 5.08 -1.49 -0.90 114.58 119.70 1r4a h GLU 175 Ca 0.26 -0.35 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 1r4a h GLU 175 Cb -0.00 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1r4a h GLU 175 CO -0.10 0.97 0.14 1.15 -1.00 0.00 0.00 179.01 180.17 1r4a h THR 176 N 0.40 1.21 0.00 1.13 2.02 -0.83 -2.70 112.91 114.13 1r4a h THR 176 Ca -0.00 -0.72 -0.17 0.00 0.77 0.00 0.00 66.41 66.29 1r4a h THR 176 Cb 1.14 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 1r4a h THR 176 CO 0.11 0.27 -1.17 0.17 0.37 0.00 0.00 175.52 175.27 1r4a h LEU 177 N 0.72 0.00 -2.74 2.58 8.10 -1.35 -3.22 115.31 119.40 1r4a h LEU 177 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.16 1r4a h LEU 177 Cb 0.24 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.46 1r4a h LEU 177 CO -0.01 0.66 0.05 0.11 -4.11 0.00 0.00 178.44 175.14 1r4a h LYS 178 N 0.00 0.00 0.00 0.17 1.57 -0.84 -3.25 116.57 114.23 1r4a h LYS 178 Ca -0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1r4a h LYS 178 Cb 1.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.92 1r4a h LYS 178 CO 0.06 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.37 1r4a n SER 179 N -3.25 0.00 0.00 0.86 7.64 -1.13 -5.09 113.62 112.66 1r4a n SER 179 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1r4a n SER 179 Cb 0.12 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 1r4a n SER 179 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89