#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rir s GLU 2 N 0.00 3.43 -0.01 0.00 2.12 -0.78 -4.93 118.70 118.53 1rir s GLU 2 Ca 0.00 -0.21 0.05 0.00 0.36 0.00 0.00 54.97 55.17 1rir s GLU 2 Cb 0.00 -3.90 -0.01 0.00 0.26 0.00 0.00 34.13 30.48 1rir s GLU 2 CO 0.00 -0.92 -0.17 0.99 -0.54 0.00 0.00 175.26 174.63 1rir s THR 3 N 2.80 1.32 -0.11 -1.70 2.01 -1.26 0.44 115.64 119.15 1rir s THR 3 Ca 0.24 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.53 1rir s THR 3 Cb -0.14 -1.10 -0.02 0.00 0.01 0.00 0.00 72.50 71.25 1rir s THR 3 CO 0.18 0.37 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.67 1rir s VAL 4 N -0.36 3.15 -0.27 3.82 1.01 -0.06 -4.98 120.40 122.71 1rir s VAL 4 Ca 0.06 -0.65 -0.10 0.00 0.00 0.00 0.00 61.98 61.29 1rir s VAL 4 Cb -0.07 -2.30 0.11 0.00 0.00 0.00 0.00 36.38 34.12 1rir s VAL 4 CO -0.00 0.55 0.59 -0.94 0.00 0.00 0.00 175.10 175.29 1rir s SER 5 N -0.02 -0.88 0.34 3.32 1.04 -1.26 -1.17 113.70 115.05 1rir s SER 5 Ca -0.03 1.40 0.03 0.00 0.48 0.00 0.00 55.95 57.84 1rir s SER 5 Cb -0.14 1.88 -0.05 0.00 0.10 0.00 0.00 66.02 67.81 1rir s SER 5 CO 0.04 -0.22 0.09 0.72 0.98 0.00 0.00 173.24 174.85 1rir s PHE 6 N 2.58 1.81 -0.28 5.02 -0.12 -0.78 -5.02 117.98 121.19 1rir s PHE 6 Ca -0.06 -1.12 -0.12 0.00 -0.05 0.00 0.00 56.93 55.58 1rir s PHE 6 Cb -0.11 -1.15 0.10 0.00 -0.63 0.00 0.00 43.02 41.23 1rir s PHE 6 CO -0.17 -0.18 0.64 1.21 -0.05 0.00 0.00 175.22 176.67 1rir s ASN 7 N -3.49 -0.99 -0.19 1.98 2.47 -1.26 -2.75 114.94 110.71 1rir s ASN 7 Ca 0.33 1.50 0.01 0.00 0.42 0.00 0.00 52.86 55.11 1rir s ASN 7 Cb 0.06 1.82 0.03 0.00 -1.45 0.00 0.00 41.25 41.72 1rir s ASN 7 CO 0.15 -0.23 -0.13 -0.36 -3.72 0.00 0.00 177.10 172.81 1rir s PHE 8 N 2.31 2.51 -0.91 0.43 0.08 0.20 -4.94 117.98 117.65 1rir s PHE 8 Ca -0.08 -1.57 0.19 0.00 0.12 0.00 0.00 56.93 55.59 1rir s PHE 8 Cb -0.09 -1.71 -0.20 0.00 -0.57 0.00 0.00 43.02 40.45 1rir s PHE 8 CO -0.19 -0.75 0.80 0.09 -0.10 0.00 0.00 175.22 175.07 1rir n ASN 9 N 4.67 0.91 -3.91 1.36 3.02 -1.26 -0.72 115.26 119.33 1rir n ASN 9 Ca -0.17 -0.96 -0.08 0.00 -0.03 0.00 0.00 54.58 53.34 1rir n ASN 9 Cb 0.48 0.98 -0.04 0.00 -0.61 0.00 0.00 39.78 40.59 1rir n ASN 9 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1rir s SER 10 N -2.75 -0.17 0.22 6.41 1.04 -1.26 -4.75 113.70 112.43 1rir s SER 10 Ca 0.07 -0.75 0.01 0.00 0.48 0.00 0.00 55.95 55.76 1rir s SER 10 Cb 0.14 0.63 -0.05 0.00 0.10 0.00 0.00 66.02 66.84 1rir s SER 10 CO 0.76 -1.19 0.06 -0.36 0.98 0.00 0.00 173.24 173.49 1rir s PHE 11 N -3.96 1.36 -0.29 5.02 0.40 -0.55 -5.00 117.98 114.96 1rir s PHE 11 Ca 0.17 -1.13 -0.21 0.00 -0.60 0.00 0.00 56.93 55.15 1rir s PHE 11 Cb -0.02 -0.78 0.14 0.00 0.51 0.00 0.00 43.02 42.87 1rir s PHE 11 CO 0.06 -0.31 1.05 -1.54 0.70 0.00 0.00 175.22 175.18 1rir s SER 12 N -3.24 -0.44 1.00 1.36 1.04 -1.26 -4.11 113.70 108.06 1rir s SER 12 Ca 0.32 0.78 -0.11 0.00 0.48 0.00 0.00 55.95 57.41 1rir s SER 12 Cb 0.07 0.94 0.18 0.00 0.10 0.00 0.00 66.02 67.32 1rir s SER 12 CO 0.09 -0.13 1.06 -0.62 0.98 0.00 0.00 173.24 174.62 1rir n GLU 13 N 2.75 -1.06 0.00 4.02 1.02 -1.26 -3.23 120.64 122.88 1rir n GLU 13 Ca -0.15 -0.26 0.00 0.00 -0.02 0.00 0.00 57.16 56.74 1rir n GLU 13 Cb 0.57 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.70 1rir n GLU 13 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rir n GLY 14 N 0.57 2.26 3.65 0.62 0.00 -1.26 -5.00 105.19 106.03 1rir n GLY 14 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1rir n GLY 14 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rir s ASN 15 N -3.45 6.92 0.00 1.61 3.04 -1.20 -4.88 114.94 116.98 1rir s ASN 15 Ca 0.00 1.52 0.09 0.00 0.04 0.00 0.00 52.86 54.51 1rir s ASN 15 Cb 0.00 -2.54 0.48 0.00 -1.54 0.00 0.00 41.25 37.65 1rir s ASN 15 CO 0.00 -0.81 1.10 -0.81 -3.04 0.00 0.00 177.10 173.55 1rir n PRO 16 N 6.70 0.18 0.05 0.43 -0.04 -1.26 -2.34 135.00 138.71 1rir n PRO 16 Ca 0.14 0.14 0.13 0.00 -0.04 0.00 0.00 63.50 63.86 1rir n PRO 16 Cb 0.45 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.76 1rir n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rir n ALA 17 N -1.19 2.73 -3.19 0.55 0.00 -1.26 -4.72 120.51 113.43 1rir n ALA 17 Ca 0.05 -0.17 -0.21 0.00 0.00 0.00 0.00 53.44 53.11 1rir n ALA 17 Cb 0.06 -1.31 -0.16 0.00 0.00 0.00 0.00 19.45 18.04 1rir n ALA 17 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1rir s ILE 18 N -3.08 0.77 -0.18 0.00 1.01 -0.99 0.06 121.20 118.79 1rir s ILE 18 Ca 0.10 -0.33 -0.06 0.00 0.00 0.00 0.00 60.65 60.36 1rir s ILE 18 Cb 0.15 -0.70 -0.04 0.00 0.01 0.00 0.00 42.46 41.88 1rir s ILE 18 CO 0.64 0.25 0.03 0.20 0.00 0.00 0.00 174.94 176.06 1rir s ASN 19 N 0.37 5.36 -0.36 3.58 0.02 0.19 -4.81 114.94 119.30 1rir s ASN 19 Ca -0.06 0.01 -0.10 0.00 -1.02 0.00 0.00 52.86 51.69 1rir s ASN 19 Cb -0.10 -1.91 0.02 0.00 0.02 0.00 0.00 41.25 39.28 1rir s ASN 19 CO 0.01 0.17 0.19 -0.36 0.02 0.00 0.00 177.10 177.12 1rir s PHE 20 N 0.40 3.23 -0.24 2.20 0.08 -1.26 -1.25 117.98 121.13 1rir s PHE 20 Ca 0.01 -0.89 -0.05 0.00 0.12 0.00 0.00 56.93 56.12 1rir s PHE 20 Cb -0.13 -2.41 -0.01 0.00 -0.57 0.00 0.00 43.02 39.90 1rir s PHE 20 CO 0.01 -0.60 -0.00 -0.65 -0.10 0.00 0.00 175.22 173.87 1rir s GLN 21 N 1.56 3.36 0.00 0.44 -0.21 -0.77 -4.96 119.66 119.08 1rir s GLN 21 Ca 0.02 -0.65 0.00 0.00 0.02 0.00 0.00 55.36 54.75 1rir s GLN 21 Cb -0.19 -3.12 0.00 0.00 1.00 0.00 0.00 33.01 30.70 1rir s GLN 21 CO 0.06 -0.24 0.00 0.41 -2.12 0.00 0.00 175.29 173.40 1rir n GLY 22 N 4.82 -0.42 1.21 3.09 0.00 -1.26 0.05 105.19 112.69 1rir n GLY 22 Ca -0.17 -1.94 -0.02 0.00 0.00 0.00 0.00 46.02 43.89 1rir n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rir n ASP 23 N 0.00 3.67 -4.70 1.61 8.00 0.47 -4.88 116.55 120.72 1rir n ASP 23 Ca 0.00 -2.22 -0.42 0.00 0.71 0.00 0.00 54.79 52.85 1rir n ASP 23 Cb 0.00 -0.67 -0.03 0.00 -0.02 0.00 0.00 41.12 40.40 1rir n ASP 23 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1rir s VAL 24 N -0.29 4.39 -0.09 2.53 1.01 -1.23 -4.12 120.40 122.60 1rir s VAL 24 Ca 0.05 1.71 0.01 0.00 0.00 0.00 0.00 61.98 63.75 1rir s VAL 24 Cb 0.04 -4.10 0.02 0.00 0.00 0.00 0.00 36.38 32.34 1rir s VAL 24 CO 0.01 0.07 -0.12 0.28 0.00 0.00 0.00 175.10 175.34 1rir s THR 25 N 1.55 1.21 -0.23 3.92 -1.32 -0.14 -5.00 115.64 115.64 1rir s THR 25 Ca 0.55 -0.48 -0.20 0.00 -1.21 0.00 0.00 61.69 60.35 1rir s THR 25 Cb -0.24 -1.13 -0.02 0.00 -1.51 0.00 0.00 72.50 69.59 1rir s THR 25 CO 0.25 0.38 0.62 -0.69 -2.21 0.00 0.00 174.62 172.97 1rir s VAL 26 N 1.01 5.01 0.63 5.08 1.01 -1.26 -0.82 120.40 131.06 1rir s VAL 26 Ca -0.07 1.12 -0.14 0.00 0.00 0.00 0.00 61.98 62.89 1rir s VAL 26 Cb -0.15 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 1rir s VAL 26 CO -0.01 0.07 1.06 -0.76 0.00 0.00 0.00 175.10 175.46 1rir s LEU 27 N 2.24 3.37 0.00 3.92 1.43 0.95 -4.89 118.68 125.71 1rir s LEU 27 Ca 0.27 1.74 0.00 0.00 -1.03 0.00 0.00 54.13 55.11 1rir s LEU 27 Cb -0.16 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.55 1rir s LEU 27 CO 0.09 -1.26 0.21 -1.54 0.23 0.00 0.00 176.35 174.08 1rir n SER 28 N -2.43 0.36 -0.92 2.29 3.41 -1.26 -1.96 113.62 113.12 1rir n SER 28 Ca 0.08 -0.78 0.03 0.00 -0.26 0.00 0.00 58.87 57.95 1rir n SER 28 Cb 0.53 -0.18 0.04 0.00 -0.26 0.00 0.00 64.21 64.35 1rir n SER 28 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1rir n ASN 29 N 0.24 0.83 -1.38 4.04 6.94 -1.26 -4.99 115.26 119.68 1rir n ASN 29 Ca 0.00 -2.30 -0.14 0.00 -0.02 0.00 0.00 54.58 52.11 1rir n ASN 29 Cb 0.09 -0.30 -0.03 0.00 -2.36 0.00 0.00 39.78 37.18 1rir n ASN 29 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1rir n GLY 30 N -0.03 0.61 3.50 4.83 0.00 -0.83 -4.88 105.19 108.40 1rir n GLY 30 Ca 0.06 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 1rir n GLY 30 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rir s ASN 31 N -2.59 4.08 -0.19 1.61 0.02 -1.25 -1.48 114.94 115.13 1rir s ASN 31 Ca 0.00 -0.31 -0.11 0.00 -1.02 0.00 0.00 52.86 51.42 1rir s ASN 31 Cb 0.00 -0.78 -0.05 0.00 0.02 0.00 0.00 41.25 40.44 1rir s ASN 31 CO 0.00 0.27 0.17 -0.63 0.02 0.00 0.00 177.10 176.94 1rir s ILE 32 N -0.92 5.38 -0.27 0.60 1.01 -1.04 -0.03 121.20 125.93 1rir s ILE 32 Ca 0.15 0.29 -0.06 0.00 0.00 0.00 0.00 60.65 61.02 1rir s ILE 32 Cb -0.11 -3.51 -0.00 0.00 0.01 0.00 0.00 42.46 38.85 1rir s ILE 32 CO 0.05 0.43 0.05 -1.58 0.00 0.00 0.00 174.94 173.89 1rir s GLN 33 N 0.36 3.24 0.11 2.79 0.74 0.00 -1.34 119.66 125.57 1rir s GLN 33 Ca 0.10 -0.74 -0.10 0.00 0.05 0.00 0.00 55.36 54.67 1rir s GLN 33 Cb -0.12 -3.28 -0.13 0.00 1.10 0.00 0.00 33.01 30.58 1rir s GLN 33 CO -0.00 -0.35 1.30 -0.07 -0.55 0.00 0.00 175.29 175.62 1rir h LEU 34 N 8.20 0.81 -9.20 3.68 3.38 -1.27 -0.33 115.31 120.58 1rir h LEU 34 Ca -0.35 -0.58 -0.63 0.00 0.09 0.00 0.00 57.88 56.42 1rir h LEU 34 Cb 1.14 -0.24 -0.16 0.00 0.09 0.00 0.00 40.66 41.49 1rir h LEU 34 CO 0.60 1.37 -0.77 0.42 0.09 0.00 0.00 178.44 180.15 1rir s THR 35 N -3.56 2.75 -0.20 0.22 -4.23 -1.26 -3.58 115.64 105.78 1rir s THR 35 Ca -0.09 -1.94 -0.19 0.00 -1.18 0.00 0.00 61.69 58.29 1rir s THR 35 Cb 0.08 -2.36 -0.03 0.00 1.34 0.00 0.00 72.50 71.53 1rir s THR 35 CO 0.89 -0.17 0.56 0.21 -0.54 0.00 0.00 174.62 175.57 1rir s ASN 36 N -2.91 6.60 0.46 3.99 3.84 -1.26 -4.86 114.94 120.80 1rir s ASN 36 Ca 0.24 0.72 0.25 0.00 0.21 0.00 0.00 52.86 54.28 1rir s ASN 36 Cb -0.08 -2.31 0.99 0.00 -0.55 0.00 0.00 41.25 39.30 1rir s ASN 36 CO 0.13 -0.22 1.85 -0.07 -2.79 0.00 0.00 177.10 176.01 1rir h LEU 37 N 8.07 0.00 -2.89 3.21 4.07 -1.96 -3.17 115.31 122.63 1rir h LEU 37 Ca -0.33 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.63 1rir h LEU 37 Cb 1.15 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.89 1rir h LEU 37 CO 0.75 0.20 0.00 0.59 -1.08 0.00 0.00 178.44 178.89 1rir n ASN 38 N -3.37 4.51 -4.36 -0.43 3.02 -1.26 -4.93 115.26 108.44 1rir n ASN 38 Ca 0.00 -2.66 -0.24 0.00 -0.03 0.00 0.00 54.58 51.65 1rir n ASN 38 Cb 0.41 -0.62 -0.12 0.00 -0.61 0.00 0.00 39.78 38.84 1rir n ASN 38 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1rir s LYS 39 N -2.26 1.35 -0.09 3.52 1.02 -1.20 -5.11 119.74 116.96 1rir s LYS 39 Ca 0.41 -1.42 -0.18 0.00 0.02 0.00 0.00 55.97 54.81 1rir s LYS 39 Cb 0.31 -1.55 -0.04 0.00 -0.52 0.00 0.00 37.83 36.03 1rir s LYS 39 CO 0.13 0.33 0.48 0.08 -0.92 0.00 0.00 175.35 175.45 1rir s VAL 40 N -1.76 5.14 -1.17 3.17 1.01 -1.26 -4.11 120.40 121.43 1rir s VAL 40 Ca 0.16 0.97 -0.01 0.00 0.00 0.00 0.00 61.98 63.10 1rir s VAL 40 Cb -0.07 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1rir s VAL 40 CO 0.07 0.36 0.09 -0.46 0.00 0.00 0.00 175.10 175.17 1rir n ASN 41 N 3.39 -4.40 -4.55 3.32 0.23 -1.24 -4.94 115.26 107.07 1rir n ASN 41 Ca -0.08 -0.05 -0.36 0.00 -0.53 0.00 0.00 54.58 53.56 1rir n ASN 41 Cb 0.52 -3.50 0.07 0.00 -2.08 0.00 0.00 39.78 34.79 1rir n ASN 41 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1rir n SER 42 N -0.79 -0.24 -3.68 0.53 2.88 -1.26 -4.24 113.62 106.82 1rir n SER 42 Ca -0.15 0.66 -0.10 0.00 -1.33 0.00 0.00 58.87 57.95 1rir n SER 42 Cb 0.62 -1.31 -0.09 0.00 -0.75 0.00 0.00 64.21 62.67 1rir n SER 42 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1rir s VAL 43 N -1.81 -0.01 -0.08 2.46 1.01 -1.26 -1.74 120.40 118.97 1rir s VAL 43 Ca 0.70 0.05 -0.12 0.00 0.00 0.00 0.00 61.98 62.62 1rir s VAL 43 Cb -0.36 -0.74 0.03 0.00 0.00 0.00 0.00 36.38 35.31 1rir s VAL 43 CO 0.53 0.02 0.31 -0.83 0.00 0.00 0.00 175.10 175.13 1rir s GLY 44 N 1.33 -0.20 0.04 4.51 0.00 -1.10 -0.40 107.32 111.50 1rir s GLY 44 Ca -0.09 0.67 0.00 0.00 0.00 0.00 0.00 44.72 45.30 1rir s GLY 44 CO -0.13 0.51 -0.04 0.50 0.00 0.00 0.00 173.10 173.94 1rir s ARG 45 N -0.39 0.46 -0.07 2.90 0.52 0.11 -0.69 118.95 121.78 1rir s ARG 45 Ca -0.05 -0.84 0.02 0.00 -0.52 0.00 0.00 55.73 54.34 1rir s ARG 45 Cb -0.03 0.04 0.02 0.00 0.52 0.00 0.00 34.95 35.50 1rir s ARG 45 CO 0.02 -0.05 -0.10 0.54 0.02 0.00 0.00 175.30 175.73 1rir s VAL 46 N -2.20 1.02 0.08 3.52 0.11 -0.04 -1.85 120.40 121.04 1rir s VAL 46 Ca -0.07 -0.39 0.07 0.00 -2.93 0.00 0.00 61.98 58.66 1rir s VAL 46 Cb -0.04 -0.97 -0.03 0.00 -1.53 0.00 0.00 36.38 33.81 1rir s VAL 46 CO -0.03 0.34 -0.18 -0.76 -3.33 0.00 0.00 175.10 171.13 1rir s LEU 47 N 0.89 2.27 -0.35 2.54 1.43 -0.38 -1.54 118.68 123.54 1rir s LEU 47 Ca -0.11 -0.63 -0.29 0.00 -1.03 0.00 0.00 54.13 52.08 1rir s LEU 47 Cb -0.15 -0.75 0.01 0.00 0.03 0.00 0.00 46.19 45.33 1rir s LEU 47 CO 0.01 0.02 1.26 -0.47 0.23 0.00 0.00 176.35 177.40 1rir s TYR 48 N -1.14 2.73 0.25 0.29 5.04 -0.40 -0.64 117.35 123.49 1rir s TYR 48 Ca 0.03 0.86 -0.05 0.00 -2.44 0.00 0.00 57.07 55.48 1rir s TYR 48 Cb -0.10 -4.03 0.48 0.00 0.35 0.00 0.00 41.96 38.66 1rir s TYR 48 CO 0.03 -1.54 1.37 0.00 -1.34 0.00 0.00 175.55 174.07 1rir n ALA 49 N 7.75 0.28 -1.98 3.97 0.00 0.11 -4.60 120.51 126.03 1rir n ALA 49 Ca 0.14 0.96 -0.38 0.00 0.00 0.00 0.00 53.44 54.16 1rir n ALA 49 Cb 0.47 -0.61 -0.06 0.00 0.00 0.00 0.00 19.45 19.25 1rir n ALA 49 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1rir s MET 50 N -6.03 4.48 0.25 0.00 0.00 -1.26 -4.98 119.30 111.76 1rir s MET 50 Ca -0.13 1.10 -0.30 0.00 0.00 0.00 0.00 55.69 56.37 1rir s MET 50 Cb 0.24 -3.06 -0.09 0.00 0.00 0.00 0.00 34.83 31.92 1rir s MET 50 CO 0.68 0.46 1.00 -2.14 0.00 0.00 0.00 175.02 175.02 1rir s PRO 51 N -1.57 4.78 -0.14 4.11 0.02 -1.26 -4.81 135.00 136.13 1rir s PRO 51 Ca 0.41 1.60 -0.02 0.00 0.02 0.00 0.00 61.00 63.00 1rir s PRO 51 Cb -0.20 -3.25 -0.02 0.00 0.02 0.00 0.00 34.50 31.04 1rir s PRO 51 CO 0.24 0.41 -0.07 0.08 -0.33 0.00 0.00 177.00 177.33 1rir s VAL 52 N -1.14 3.63 -0.74 3.83 1.01 -0.50 -4.90 120.40 121.59 1rir s VAL 52 Ca 0.42 -0.46 -0.26 0.00 0.00 0.00 0.00 61.98 61.68 1rir s VAL 52 Cb -0.28 -2.57 0.03 0.00 0.00 0.00 0.00 36.38 33.57 1rir s VAL 52 CO 0.35 0.51 1.25 -0.60 0.00 0.00 0.00 175.10 176.61 1rir s ARG 53 N 0.28 3.19 0.28 2.72 3.52 -1.26 -2.17 118.95 125.51 1rir s ARG 53 Ca -0.05 -0.32 0.12 0.00 -0.13 0.00 0.00 55.73 55.35 1rir s ARG 53 Cb -0.15 -4.20 0.35 0.00 -1.56 0.00 0.00 34.95 29.39 1rir s ARG 53 CO 0.04 -2.11 1.59 -0.84 -0.81 0.00 0.00 175.30 173.17 1rir h ILE 54 N 6.04 1.32 -3.85 4.11 3.07 -1.39 -3.46 117.51 123.34 1rir h ILE 54 Ca -0.27 -2.14 -0.09 0.00 1.55 0.00 0.00 64.86 63.90 1rir h ILE 54 Cb 1.05 2.19 -0.15 0.00 -0.27 0.00 0.00 36.82 39.65 1rir h ILE 54 CO 1.27 0.59 -0.43 -1.66 -1.05 0.00 0.00 178.15 176.88 1rir s TRP 55 N -3.47 0.20 -0.19 0.16 1.48 -1.25 0.37 118.94 116.25 1rir s TRP 55 Ca -0.00 -0.63 -0.02 0.00 -1.06 0.00 0.00 56.10 54.39 1rir s TRP 55 Cb 0.12 -0.11 -0.00 0.00 -1.16 0.00 0.00 33.47 32.31 1rir s TRP 55 CO 0.75 -0.50 -0.10 0.45 -4.06 0.00 0.00 176.95 173.49 1rir s SER 56 N -2.78 3.93 0.30 -2.66 0.15 -0.87 -4.73 113.70 107.06 1rir s SER 56 Ca 0.04 -0.44 0.23 0.00 0.70 0.00 0.00 55.95 56.48 1rir s SER 56 Cb 0.05 -1.64 1.11 0.00 -1.71 0.00 0.00 66.02 63.83 1rir s SER 56 CO -0.10 0.03 1.70 -1.54 1.20 0.00 0.00 173.24 174.53 1rir n SER 57 N 4.46 0.63 -0.10 5.45 3.41 -1.26 0.55 113.62 126.76 1rir n SER 57 Ca -0.19 0.73 -0.24 0.00 -0.26 0.00 0.00 58.87 58.91 1rir n SER 57 Cb 0.51 -0.83 -0.11 0.00 -0.26 0.00 0.00 64.21 63.51 1rir n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rir n ALA 58 N -1.79 0.89 0.09 7.33 0.00 -1.26 -4.49 120.51 121.29 1rir n ALA 58 Ca 0.00 -0.64 -0.17 0.00 0.00 0.00 0.00 53.44 52.63 1rir n ALA 58 Cb 0.12 -0.41 -0.10 0.00 0.00 0.00 0.00 19.45 19.06 1rir n ALA 58 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1rir h THR 59 N -0.91 1.41 0.00 0.00 1.35 -1.90 -3.47 112.91 109.40 1rir h THR 59 Ca -0.44 -2.70 0.00 0.00 -0.55 0.00 0.00 66.41 62.72 1rir h THR 59 Cb 1.44 2.71 0.00 0.00 -1.73 0.00 0.00 68.15 70.57 1rir h THR 59 CO -0.24 0.80 0.00 0.61 -0.25 0.00 0.00 175.52 176.45 1rir n GLY 60 N 1.30 1.38 3.82 5.82 0.00 0.19 -5.03 105.19 112.68 1rir n GLY 60 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 1rir n GLY 60 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rir s ASN 61 N -3.03 5.69 -0.05 1.61 0.02 -1.25 -4.84 114.94 113.08 1rir s ASN 61 Ca 0.00 1.63 0.02 0.00 -1.02 0.00 0.00 52.86 53.49 1rir s ASN 61 Cb 0.00 -2.50 0.01 0.00 0.02 0.00 0.00 41.25 38.78 1rir s ASN 61 CO 0.00 -1.23 -0.09 -0.69 0.02 0.00 0.00 177.10 175.11 1rir s VAL 62 N -2.89 0.86 0.64 1.60 1.01 -1.26 -2.05 120.40 118.31 1rir s VAL 62 Ca 0.59 -0.34 -0.16 0.00 0.00 0.00 0.00 61.98 62.07 1rir s VAL 62 Cb -0.14 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 1rir s VAL 62 CO 0.49 0.29 1.13 0.00 0.00 0.00 0.00 175.10 177.00 1rir s ALA 63 N 0.63 2.48 0.16 5.51 0.00 0.16 -4.53 121.76 126.16 1rir s ALA 63 Ca -0.11 0.65 0.05 0.00 0.00 0.00 0.00 51.96 52.56 1rir s ALA 63 Cb -0.14 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 1rir s ALA 63 CO 0.02 -1.24 0.09 -1.12 0.00 0.00 0.00 175.76 173.51 1rir s SER 64 N -2.33 5.31 -0.02 0.00 0.01 -0.95 -4.42 113.70 111.30 1rir s SER 64 Ca 0.69 -0.19 -0.12 0.00 1.31 0.00 0.00 55.95 57.64 1rir s SER 64 Cb -0.22 -1.33 0.02 0.00 0.21 0.00 0.00 66.02 64.70 1rir s SER 64 CO 0.39 0.09 0.25 0.72 0.41 0.00 0.00 173.24 175.10 1rir s PHE 65 N -1.69 -0.12 -0.30 2.43 -0.12 -1.12 -0.88 117.98 116.18 1rir s PHE 65 Ca 0.30 0.17 0.01 0.00 -0.05 0.00 0.00 56.93 57.36 1rir s PHE 65 Cb -0.10 0.05 0.09 0.00 -0.63 0.00 0.00 43.02 42.43 1rir s PHE 65 CO 0.22 -0.34 0.03 -1.17 -0.05 0.00 0.00 175.22 173.91 1rir s LEU 66 N -1.22 3.29 -0.02 -1.99 2.96 0.20 -1.44 118.68 120.45 1rir s LEU 66 Ca -0.13 -1.68 0.06 0.00 -0.22 0.00 0.00 54.13 52.16 1rir s LEU 66 Cb -0.06 -1.25 -0.01 0.00 0.50 0.00 0.00 46.19 45.37 1rir s LEU 66 CO 0.03 -0.34 -0.19 0.28 -1.32 0.00 0.00 176.35 174.80 1rir s THR 67 N 1.28 1.55 0.01 3.68 -1.32 -0.38 -2.16 115.64 118.31 1rir s THR 67 Ca 0.05 -0.82 0.02 0.00 -1.21 0.00 0.00 61.69 59.72 1rir s THR 67 Cb -0.18 -1.30 -0.01 0.00 -1.51 0.00 0.00 72.50 69.49 1rir s THR 67 CO -0.13 0.44 -0.06 -0.94 -2.21 0.00 0.00 174.62 171.73 1rir s SER 68 N -0.32 0.64 0.19 8.08 1.04 -0.22 0.75 113.70 123.86 1rir s SER 68 Ca 0.04 -0.26 -0.12 0.00 0.48 0.00 0.00 55.95 56.09 1rir s SER 68 Cb -0.09 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.01 1rir s SER 68 CO 0.00 -0.04 0.39 0.72 0.98 0.00 0.00 173.24 175.29 1rir s PHE 69 N -0.58 0.25 0.02 5.02 -0.12 0.21 -1.43 117.98 121.35 1rir s PHE 69 Ca -0.03 -0.61 0.04 0.00 -0.05 0.00 0.00 56.93 56.28 1rir s PHE 69 Cb -0.05 0.12 -0.02 0.00 -0.63 0.00 0.00 43.02 42.44 1rir s PHE 69 CO -0.00 -0.83 -0.11 -1.54 -0.05 0.00 0.00 175.22 172.68 1rir s SER 70 N -2.95 1.32 0.29 1.98 1.04 -0.81 -0.31 113.70 114.25 1rir s SER 70 Ca 0.16 -0.37 -0.00 0.00 0.48 0.00 0.00 55.95 56.21 1rir s SER 70 Cb 0.01 -0.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.03 1rir s SER 70 CO 0.01 0.02 0.32 0.72 0.98 0.00 0.00 173.24 175.29 1rir s PHE 71 N -0.72 1.21 -0.18 5.02 -0.12 -0.69 -1.05 117.98 121.45 1rir s PHE 71 Ca 0.00 -1.36 -0.15 0.00 -0.05 0.00 0.00 56.93 55.38 1rir s PHE 71 Cb -0.07 -0.38 0.05 0.00 -0.63 0.00 0.00 43.02 42.00 1rir s PHE 71 CO 0.01 -0.90 0.47 -2.00 -0.05 0.00 0.00 175.22 172.74 1rir s GLU 72 N -3.61 0.52 -0.32 1.99 2.12 0.13 -0.16 118.70 119.37 1rir s GLU 72 Ca 0.35 0.71 0.00 0.00 0.36 0.00 0.00 54.97 56.39 1rir s GLU 72 Cb 0.03 0.20 0.10 0.00 0.26 0.00 0.00 34.13 34.71 1rir s GLU 72 CO 0.19 -0.09 0.09 -1.64 -0.54 0.00 0.00 175.26 173.27 1rir s MET 73 N 0.57 0.85 -0.04 4.30 -1.94 -1.26 -0.38 119.30 121.39 1rir s MET 73 Ca -0.03 -1.22 -0.15 0.00 -1.71 0.00 0.00 55.69 52.59 1rir s MET 73 Cb -0.04 -2.20 -0.05 0.00 2.01 0.00 0.00 34.83 34.54 1rir s MET 73 CO -0.03 -0.98 0.40 0.21 -0.01 0.00 0.00 175.02 174.60 1rir s LYS 74 N 1.49 4.01 0.88 2.03 2.20 -1.19 -3.25 119.74 125.91 1rir s LYS 74 Ca 0.10 0.36 -0.12 0.00 -0.36 0.00 0.00 55.97 55.95 1rir s LYS 74 Cb -0.18 -3.28 0.12 0.00 -1.51 0.00 0.00 37.83 32.98 1rir s LYS 74 CO -0.22 0.55 1.11 -0.51 -0.36 0.00 0.00 175.35 175.92 1rir s ASP 75 N -0.61 3.75 -0.05 1.43 1.01 -1.26 -2.17 116.67 118.77 1rir s ASP 75 Ca 0.23 1.20 -0.01 0.00 0.71 0.00 0.00 52.55 54.67 1rir s ASP 75 Cb -0.16 -1.86 0.03 0.00 1.01 0.00 0.00 42.92 41.94 1rir s ASP 75 CO 0.11 -2.42 0.04 0.27 0.21 0.00 0.00 175.17 173.38 1rir s ILE 76 N -3.14 0.06 -0.02 0.77 -4.36 -1.26 -4.86 121.20 108.39 1rir s ILE 76 Ca 0.63 0.30 -0.12 0.00 -0.26 0.00 0.00 60.65 61.19 1rir s ILE 76 Cb -0.16 -0.27 -0.06 0.00 1.25 0.00 0.00 42.46 43.22 1rir s ILE 76 CO 0.55 0.20 0.35 1.17 0.24 0.00 0.00 174.94 177.44 1rir n LYS 77 N 5.10 0.00 -3.43 0.37 4.81 -1.26 -2.30 118.16 121.44 1rir n LYS 77 Ca -0.07 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.18 1rir n LYS 77 Cb 0.50 -0.46 0.08 0.00 0.02 0.00 0.00 35.03 35.18 1rir n LYS 77 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1rir n ASP 78 N 0.57 -3.57 -3.70 3.14 8.00 -1.26 -5.03 116.55 114.70 1rir n ASP 78 Ca 0.07 -0.56 -0.14 0.00 0.71 0.00 0.00 54.79 54.86 1rir n ASP 78 Cb 0.02 -4.89 -0.09 0.00 -0.02 0.00 0.00 41.12 36.14 1rir n ASP 78 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1rir s TYR 79 N -3.33 -0.45 -0.04 1.24 2.02 -0.98 -5.07 117.35 110.74 1rir s TYR 79 Ca 0.21 1.01 -0.29 0.00 -0.37 0.00 0.00 57.07 57.62 1rir s TYR 79 Cb -0.09 0.18 -0.02 0.00 -0.40 0.00 0.00 41.96 41.63 1rir s TYR 79 CO 0.70 -0.32 0.97 -0.51 -1.57 0.00 0.00 175.55 174.82 1rir s ASP 80 N -0.27 7.30 -0.33 2.29 1.11 -0.97 -4.73 116.67 121.07 1rir s ASP 80 Ca -0.04 1.59 -0.28 0.00 0.18 0.00 0.00 52.55 53.99 1rir s ASP 80 Cb -0.03 -2.56 -0.02 0.00 1.07 0.00 0.00 42.92 41.38 1rir s ASP 80 CO 0.03 -0.32 1.86 -2.84 1.18 0.00 0.00 175.17 175.07 1rir s PRO 81 N 1.36 3.27 0.13 8.23 0.02 -1.26 -0.50 135.00 146.25 1rir s PRO 81 Ca 0.50 1.47 -0.25 0.00 0.02 0.00 0.00 61.00 62.74 1rir s PRO 81 Cb -0.20 -4.23 0.07 0.00 0.02 0.00 0.00 34.50 30.16 1rir s PRO 81 CO 0.24 -1.93 0.87 0.00 -0.33 0.00 0.00 177.00 175.84 1rir s ALA 82 N 7.19 -1.63 -0.13 -1.55 0.00 -1.26 -4.31 121.76 120.08 1rir s ALA 82 Ca 0.82 0.32 0.22 0.00 0.00 0.00 0.00 51.96 53.32 1rir s ALA 82 Cb -0.23 0.64 -0.17 0.00 0.00 0.00 0.00 23.12 23.36 1rir s ALA 82 CO 0.33 -0.92 0.74 -0.25 0.00 0.00 0.00 175.76 175.66 1rir n ASP 83 N -0.40 0.44 0.00 0.00 8.00 0.25 -3.43 116.55 121.41 1rir n ASP 83 Ca -0.08 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.60 1rir n ASP 83 Cb 0.61 1.16 0.00 0.00 -0.02 0.00 0.00 41.12 42.87 1rir n ASP 83 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rir n GLY 84 N 1.25 2.44 4.01 0.44 0.00 -1.26 -2.98 105.19 109.09 1rir n GLY 84 Ca -0.04 -2.09 -0.18 0.00 0.00 0.00 0.00 46.02 43.72 1rir n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rir s ILE 85 N -1.85 2.83 -0.24 -0.61 1.01 -1.18 -4.13 121.20 117.03 1rir s ILE 85 Ca 0.00 -0.96 -0.17 0.00 0.00 0.00 0.00 60.65 59.53 1rir s ILE 85 Cb 0.00 -2.88 0.07 0.00 0.01 0.00 0.00 42.46 39.66 1rir s ILE 85 CO 0.00 0.00 0.60 -0.51 0.00 0.00 0.00 174.94 175.03 1rir s ILE 86 N -2.45 -0.01 -0.24 2.92 2.07 -0.24 -2.10 121.20 121.15 1rir s ILE 86 Ca 0.56 0.02 -0.09 0.00 -1.41 0.00 0.00 60.65 59.73 1rir s ILE 86 Cb -0.09 -0.87 -0.04 0.00 0.13 0.00 0.00 42.46 41.59 1rir s ILE 86 CO 0.35 0.01 0.12 0.12 -1.91 0.00 0.00 174.94 173.62 1rir s PHE 87 N 1.09 3.19 0.17 3.50 5.36 -0.47 0.04 117.98 130.86 1rir s PHE 87 Ca -0.06 -0.05 -0.03 0.00 -0.96 0.00 0.00 56.93 55.82 1rir s PHE 87 Cb -0.05 -2.26 -0.03 0.00 -0.34 0.00 0.00 43.02 40.34 1rir s PHE 87 CO -0.11 -0.13 0.15 -0.59 -1.46 0.00 0.00 175.22 173.09 1rir s PHE 88 N 1.33 0.86 -0.06 10.12 -0.71 0.22 -0.38 117.98 129.36 1rir s PHE 88 Ca 0.06 -1.17 0.04 0.00 -1.04 0.00 0.00 56.93 54.81 1rir s PHE 88 Cb -0.15 -0.39 0.00 0.00 -1.21 0.00 0.00 43.02 41.28 1rir s PHE 88 CO 0.05 -0.63 -0.17 0.42 -1.34 0.00 0.00 175.22 173.55 1rir s ILE 89 N -4.08 1.48 0.23 -4.49 1.01 0.11 -1.91 121.20 113.55 1rir s ILE 89 Ca 0.28 -0.71 -0.04 0.00 0.00 0.00 0.00 60.65 60.18 1rir s ILE 89 Cb 0.06 -1.30 -0.03 0.00 0.01 0.00 0.00 42.46 41.20 1rir s ILE 89 CO 0.06 0.43 0.26 0.00 0.00 0.00 0.00 174.94 175.69 1rir s ALA 90 N 0.32 0.75 0.34 9.38 0.00 -0.85 -1.30 121.76 130.40 1rir s ALA 90 Ca -0.11 -1.45 -0.29 0.00 0.00 0.00 0.00 51.96 50.11 1rir s ALA 90 Cb -0.15 1.29 -0.11 0.00 0.00 0.00 0.00 23.12 24.15 1rir s ALA 90 CO 0.04 -0.68 1.38 -2.14 0.00 0.00 0.00 175.76 174.36 1rir s PRO 91 N -4.04 4.27 0.56 0.00 0.02 -1.26 -0.46 135.00 134.08 1rir s PRO 91 Ca 0.34 2.34 0.43 0.00 0.02 0.00 0.00 61.00 64.12 1rir s PRO 91 Cb 0.04 -3.04 1.61 0.00 0.02 0.00 0.00 34.50 33.14 1rir s PRO 91 CO 0.12 -0.32 1.67 1.05 -0.33 0.00 0.00 177.00 179.20 1rir h GLU 92 N 3.38 0.00 -0.03 5.54 4.11 -1.73 0.25 114.58 126.11 1rir h GLU 92 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 1rir h GLU 92 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1rir h GLU 92 CO 0.66 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.34 1rir n ASP 93 N -4.01 0.67 -4.51 3.06 5.68 -1.26 -4.92 116.55 111.26 1rir n ASP 93 Ca 0.34 -1.32 -0.64 0.00 -0.50 0.00 0.00 54.79 52.67 1rir n ASP 93 Cb 1.62 -0.01 -0.11 0.00 -1.14 0.00 0.00 41.12 41.47 1rir n ASP 93 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1rir n THR 94 N -0.43 0.00 -3.74 2.12 5.66 0.89 -4.98 114.28 113.80 1rir n THR 94 Ca 0.20 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.97 1rir n THR 94 Cb 0.20 -0.50 -0.02 0.00 -1.55 0.00 0.00 70.33 68.47 1rir n THR 94 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1rir s GLN 95 N 4.22 3.46 -0.19 1.09 -1.52 -1.26 -5.05 119.66 120.41 1rir s GLN 95 Ca 1.11 -0.57 -0.28 0.00 -1.95 0.00 0.00 55.36 53.67 1rir s GLN 95 Cb -1.49 -2.81 -0.00 0.00 -0.22 0.00 0.00 33.01 28.49 1rir s GLN 95 CO 0.75 0.33 0.97 -1.50 -0.25 0.00 0.00 175.29 175.59 1rir s ILE 96 N -2.08 4.76 0.99 1.08 2.07 -1.26 -4.99 121.20 121.76 1rir s ILE 96 Ca 0.36 1.91 -0.16 0.00 -1.41 0.00 0.00 60.65 61.36 1rir s ILE 96 Cb -0.09 -4.26 -0.07 0.00 0.13 0.00 0.00 42.46 38.16 1rir s ILE 96 CO 0.31 -0.09 -0.36 -2.65 -1.91 0.00 0.00 174.94 170.24 1rir n PRO 97 N 5.81 -0.17 -1.90 3.50 -0.02 -1.26 -4.85 135.00 136.11 1rir n PRO 97 Ca 0.09 -0.03 -0.42 0.00 -2.02 0.00 0.00 63.50 61.12 1rir n PRO 97 Cb 0.47 -1.35 -0.03 0.00 -0.02 0.00 0.00 33.50 32.58 1rir n PRO 97 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rir s ALA 98 N -2.16 3.78 0.50 3.55 0.00 -1.26 -4.96 121.76 121.21 1rir s ALA 98 Ca 0.47 1.42 -0.23 0.00 0.00 0.00 0.00 51.96 53.62 1rir s ALA 98 Cb -0.17 -3.63 -0.06 0.00 0.00 0.00 0.00 23.12 19.25 1rir s ALA 98 CO 0.76 -0.82 1.38 0.20 0.00 0.00 0.00 175.76 177.27 1rir s GLY 99 N 0.94 2.90 0.41 0.00 0.00 -1.26 -4.93 107.32 105.37 1rir s GLY 99 Ca 0.68 1.37 0.05 0.00 0.00 0.00 0.00 44.72 46.82 1rir s GLY 99 CO 0.35 1.93 0.19 1.44 0.00 0.00 0.00 173.10 177.01 1rir n SER 100 N -0.61 0.76 0.00 1.64 7.64 -1.26 -5.08 113.62 116.71 1rir n SER 100 Ca 0.08 -3.27 0.00 0.00 1.01 0.00 0.00 58.87 56.69 1rir n SER 100 Cb 0.44 1.24 0.00 0.00 -1.01 0.00 0.00 64.21 64.87 1rir n SER 100 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1rir n ILE 101 N -0.88 0.00 -0.10 0.44 -5.35 -1.26 -4.04 119.36 108.17 1rir n ILE 101 Ca -0.03 0.00 0.02 0.00 -0.27 0.00 0.00 62.75 62.48 1rir n ILE 101 Cb 0.64 -0.74 0.34 0.00 -1.74 0.00 0.00 39.64 38.13 1rir n ILE 101 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1rir h GLY 102 N 0.00 0.79 -1.56 3.28 0.00 -1.93 -2.93 103.07 100.71 1rir h GLY 102 Ca 0.00 -0.30 -0.36 0.00 0.00 0.00 0.00 47.33 46.67 1rir h GLY 102 CO 0.00 0.29 -1.87 0.61 0.00 0.00 0.00 176.54 175.57 1rir n GLY 103 N -1.44 -2.37 2.49 4.60 0.00 -1.26 -4.68 105.19 102.53 1rir n GLY 103 Ca 0.05 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 1rir n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rir n GLY 104 N 2.52 1.73 0.28 -0.02 0.00 -1.26 -4.46 105.19 103.99 1rir n GLY 104 Ca -0.01 -0.71 0.10 0.00 0.00 0.00 0.00 46.02 45.40 1rir n GLY 104 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rir n THR 105 N 0.76 0.10 -1.39 2.61 -2.24 -1.26 -4.89 114.28 107.98 1rir n THR 105 Ca 0.15 -0.18 -0.12 0.00 -2.27 0.00 0.00 64.05 61.63 1rir n THR 105 Cb 0.65 0.05 -0.05 0.00 -2.10 0.00 0.00 70.33 68.88 1rir n THR 105 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1rir n LEU 106 N -0.22 -0.86 -0.89 3.22 4.77 -1.26 -1.71 117.00 120.04 1rir n LEU 106 Ca 0.15 0.29 -0.10 0.00 -0.03 0.00 0.00 56.01 56.32 1rir n LEU 106 Cb 0.20 -1.84 -0.03 0.00 -2.33 0.00 0.00 43.42 39.43 1rir n LEU 106 CO 0.12 -0.59 -0.11 0.61 -1.33 0.00 0.00 177.39 176.09 1rir n GLY 107 N -0.24 0.65 0.00 -0.72 0.00 -1.24 -3.48 105.19 100.16 1rir n GLY 107 Ca -0.12 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1rir n GLY 107 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1rir n VAL 108 N -3.25 0.09 -4.15 1.61 0.24 -0.69 -4.33 118.33 107.84 1rir n VAL 108 Ca -0.10 -0.15 -0.13 0.00 -2.04 0.00 0.00 64.34 61.91 1rir n VAL 108 Cb 0.43 1.39 -0.07 0.00 -1.47 0.00 0.00 33.84 34.12 1rir n VAL 108 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1rir s SER 109 N -0.09 0.52 0.90 -1.34 1.04 -1.24 -4.58 113.70 108.91 1rir s SER 109 Ca 0.00 -1.37 -0.07 0.00 0.48 0.00 0.00 55.95 54.98 1rir s SER 109 Cb 0.00 0.51 0.12 0.00 0.10 0.00 0.00 66.02 66.75 1rir s SER 109 CO 0.00 -1.04 0.72 -0.90 0.98 0.00 0.00 173.24 173.00 1rir n ASP 110 N -0.75 0.23 -0.12 7.02 5.68 -0.35 -4.58 116.55 123.68 1rir n ASP 110 Ca 0.02 -1.37 0.09 0.00 -0.50 0.00 0.00 54.79 53.03 1rir n ASP 110 Cb 0.64 -0.54 0.42 0.00 -1.14 0.00 0.00 41.12 40.50 1rir n ASP 110 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 1rir h THR 111 N -1.22 0.97 0.00 2.12 2.02 -1.91 -1.40 112.91 113.49 1rir h THR 111 Ca -0.23 -0.20 -0.10 0.00 0.77 0.00 0.00 66.41 66.65 1rir h THR 111 Cb 0.69 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1rir h THR 111 CO 0.18 0.11 -0.46 0.11 0.37 0.00 0.00 175.52 175.83 1rir h LYS 112 N 0.59 0.00 0.00 6.66 1.79 -2.00 -3.47 116.57 120.14 1rir h LYS 112 Ca 0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 1rir h LYS 112 Cb 0.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 1rir h LYS 112 CO -0.09 0.46 0.00 0.41 -1.08 0.00 0.00 179.45 179.15 1rir n GLY 113 N 0.10 1.11 3.94 3.86 0.00 -0.53 -4.98 105.19 108.69 1rir n GLY 113 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 1rir n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rir s ALA 114 N -2.00 3.63 0.00 4.61 0.00 -1.26 -1.21 121.76 125.53 1rir s ALA 114 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1rir s ALA 114 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 20.88 1rir s ALA 114 CO 0.00 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1rir n GLY 115 N -1.99 1.91 3.26 0.00 0.00 -1.10 -1.21 105.19 106.06 1rir n GLY 115 Ca -0.02 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.84 1rir n GLY 115 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1rir s HIS 116 N -2.00 3.43 0.04 1.61 2.46 -1.26 -4.09 115.29 115.48 1rir s HIS 116 Ca 0.00 -1.77 -0.28 0.00 0.47 0.00 0.00 55.06 53.48 1rir s HIS 116 Cb 0.00 -3.64 0.10 0.00 -0.13 0.00 0.00 32.58 28.91 1rir s HIS 116 CO 0.00 -0.99 1.19 -0.59 -2.47 0.00 0.00 174.74 171.88 1rir s PHE 117 N 1.08 -0.04 -0.04 3.88 -0.71 -1.26 -4.36 117.98 116.53 1rir s PHE 117 Ca 0.08 -0.15 -0.01 0.00 -1.04 0.00 0.00 56.93 55.82 1rir s PHE 117 Cb -0.24 0.59 0.03 0.00 -1.21 0.00 0.00 43.02 42.19 1rir s PHE 117 CO -0.01 -0.47 0.07 0.08 -1.34 0.00 0.00 175.22 173.55 1rir s VAL 118 N -2.52 -0.06 0.31 -2.49 1.01 -0.42 0.26 120.40 116.49 1rir s VAL 118 Ca 0.17 0.22 -0.19 0.00 0.00 0.00 0.00 61.98 62.17 1rir s VAL 118 Cb 0.02 -0.14 0.03 0.00 0.00 0.00 0.00 36.38 36.29 1rir s VAL 118 CO -0.01 0.09 0.75 -0.83 0.00 0.00 0.00 175.10 175.10 1rir s GLY 119 N 1.19 0.06 -0.18 4.51 0.00 -0.35 0.06 107.32 112.61 1rir s GLY 119 Ca -0.08 -0.44 -0.03 0.00 0.00 0.00 0.00 44.72 44.17 1rir s GLY 119 CO -0.04 -0.13 -0.07 0.14 0.00 0.00 0.00 173.10 173.00 1rir s VAL 120 N -3.37 3.42 0.06 1.40 1.01 0.49 -0.38 120.40 123.03 1rir s VAL 120 Ca 0.13 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.64 1rir s VAL 120 Cb -0.06 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1rir s VAL 120 CO 0.08 0.47 0.00 -1.83 0.00 0.00 0.00 175.10 173.83 1rir s GLU 121 N 0.86 2.64 -0.59 2.72 -1.05 -0.77 -1.37 118.70 121.15 1rir s GLU 121 Ca -0.02 -0.76 0.06 0.00 -0.15 0.00 0.00 54.97 54.11 1rir s GLU 121 Cb -0.15 -2.59 0.27 0.00 -0.44 0.00 0.00 34.13 31.22 1rir s GLU 121 CO 0.01 0.57 0.75 1.19 0.95 0.00 0.00 175.26 178.73 1rir n PHE 122 N 0.82 3.08 -2.53 4.83 3.72 -0.89 -0.77 117.46 125.72 1rir n PHE 122 Ca -0.12 -4.04 -0.42 0.00 -0.05 0.00 0.00 57.45 52.82 1rir n PHE 122 Cb 0.52 -0.52 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 1rir n PHE 122 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1rir s ASP 123 N -2.48 7.21 -0.09 4.37 -1.08 -0.81 -3.12 116.67 120.66 1rir s ASP 123 Ca 0.41 1.92 0.13 0.00 -0.52 0.00 0.00 52.55 54.49 1rir s ASP 123 Cb 0.18 -2.58 0.25 0.00 -1.46 0.00 0.00 42.92 39.31 1rir s ASP 123 CO -0.05 -0.35 1.15 0.35 0.52 0.00 0.00 175.17 176.79 1rir n THR 124 N 3.61 1.66 -3.66 1.71 -2.24 -1.16 -1.66 114.28 112.53 1rir n THR 124 Ca 0.07 -1.80 -0.08 0.00 -2.27 0.00 0.00 64.05 59.97 1rir n THR 124 Cb 0.48 -0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.62 1rir n THR 124 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1rir s TYR 125 N -2.26 -0.86 0.17 4.78 6.14 -1.26 -4.75 117.35 119.31 1rir s TYR 125 Ca 0.24 1.65 -0.30 0.00 0.64 0.00 0.00 57.07 59.30 1rir s TYR 125 Cb 0.21 0.40 -0.07 0.00 0.42 0.00 0.00 41.96 42.92 1rir s TYR 125 CO 0.04 -0.48 1.07 0.45 0.64 0.00 0.00 175.55 177.27 1rir s SER 126 N 2.23 7.33 -0.27 4.32 0.15 -1.26 -5.00 113.70 121.20 1rir s SER 126 Ca -0.05 2.03 -0.00 0.00 0.70 0.00 0.00 55.95 58.62 1rir s SER 126 Cb -0.10 -2.60 0.08 0.00 -1.71 0.00 0.00 66.02 61.69 1rir s SER 126 CO -0.14 -0.18 0.03 0.20 1.20 0.00 0.00 173.24 174.35 1rir s ASN 127 N -0.13 3.84 0.53 5.45 -0.87 -1.26 -4.98 114.94 117.52 1rir s ASN 127 Ca 0.49 -1.39 0.40 0.00 -1.57 0.00 0.00 52.86 50.79 1rir s ASN 127 Cb -0.28 -1.00 1.59 0.00 -0.02 0.00 0.00 41.25 41.54 1rir s ASN 127 CO 0.34 -0.33 1.70 0.77 -2.57 0.00 0.00 177.10 177.01 1rir h SER 128 N 8.02 0.05 0.19 -1.22 4.64 -1.95 0.14 113.55 123.41 1rir h SER 128 Ca -0.14 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1rir h SER 128 Cb 1.05 0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1rir h SER 128 CO 0.43 -0.01 -0.02 1.05 -0.87 0.00 0.00 176.83 177.41 1rir h GLU 129 N 0.03 0.00 0.00 4.77 9.09 -1.97 -3.00 114.58 123.50 1rir h GLU 129 Ca 0.73 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.14 1rir h GLU 129 Cb 2.81 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.91 1rir h GLU 129 CO -0.06 0.02 -0.19 0.66 0.05 0.00 0.00 179.01 179.48 1rir n TYR 130 N -3.30 0.00 -1.06 2.06 4.01 0.48 -4.99 117.16 114.36 1rir n TYR 130 Ca -0.02 -0.54 -0.02 0.00 -0.16 0.00 0.00 57.90 57.15 1rir n TYR 130 Cb 0.13 -0.10 -0.01 0.00 -0.31 0.00 0.00 39.34 39.05 1rir n TYR 130 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1rir n ASN 131 N -0.77 -4.16 -4.70 7.72 4.13 -1.14 -4.29 115.26 112.06 1rir n ASN 131 Ca 0.08 0.05 -0.60 0.00 1.68 0.00 0.00 54.58 55.79 1rir n ASN 131 Cb 0.63 -1.85 -0.08 0.00 -1.54 0.00 0.00 39.78 36.94 1rir n ASN 131 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1rir n ASP 132 N -0.14 2.01 -4.41 6.41 9.92 -1.17 -4.88 116.55 124.28 1rir n ASP 132 Ca -0.02 1.07 -0.35 0.00 -0.53 0.00 0.00 54.79 54.96 1rir n ASP 132 Cb 0.22 -1.06 0.09 0.00 -0.64 0.00 0.00 41.12 39.73 1rir n ASP 132 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 1rir n PRO 133 N 5.20 -0.02 -0.34 -0.24 -0.02 -1.26 -4.52 135.00 133.81 1rir n PRO 133 Ca 0.29 0.04 0.28 0.00 -2.02 0.00 0.00 63.50 62.09 1rir n PRO 133 Cb 0.07 -1.79 0.54 0.00 -0.02 0.00 0.00 33.50 32.30 1rir n PRO 133 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1rir h PRO 134 N -1.01 0.17 0.00 0.52 0.13 -2.01 -3.43 132.00 126.37 1rir h PRO 134 Ca -0.44 -0.01 -0.28 0.00 -0.87 0.00 0.00 66.00 64.40 1rir h PRO 134 Cb 1.31 -0.04 -0.06 0.00 0.13 0.00 0.00 31.00 32.34 1rir h PRO 134 CO 0.37 0.11 -0.23 0.25 -0.23 0.00 0.00 178.00 178.27 1rir n THR 135 N -5.11 0.00 -1.51 1.56 -2.24 -1.26 -4.70 114.28 101.02 1rir n THR 135 Ca 0.35 -1.18 -0.46 0.00 -2.27 0.00 0.00 64.05 60.49 1rir n THR 135 Cb 1.14 0.41 -0.02 0.00 -2.10 0.00 0.00 70.33 69.77 1rir n THR 135 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1rir n ASP 136 N -1.75 0.20 -3.82 3.42 9.92 -1.26 -4.87 116.55 118.38 1rir n ASP 136 Ca -0.03 1.15 -0.09 0.00 -0.53 0.00 0.00 54.79 55.28 1rir n ASP 136 Cb 0.31 -1.15 -0.04 0.00 -0.64 0.00 0.00 41.12 39.60 1rir n ASP 136 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 1rir s HIS 137 N -1.05 0.01 -0.09 1.24 -3.43 -0.67 -1.79 115.29 109.51 1rir s HIS 137 Ca 0.61 -0.37 0.03 0.00 -0.80 0.00 0.00 55.06 54.53 1rir s HIS 137 Cb -0.79 0.37 -0.01 0.00 -1.43 0.00 0.00 32.58 30.72 1rir s HIS 137 CO 0.58 -0.97 -0.20 0.08 -2.00 0.00 0.00 174.74 172.23 1rir s VAL 138 N -3.92 2.43 0.42 -5.38 1.01 -0.87 -1.93 120.40 112.15 1rir s VAL 138 Ca 0.13 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.25 1rir s VAL 138 Cb -0.01 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 1rir s VAL 138 CO 0.01 0.56 0.15 -0.83 0.00 0.00 0.00 175.10 174.99 1rir s GLY 139 N 0.12 2.67 -0.31 4.51 0.00 0.05 -1.87 107.32 112.49 1rir s GLY 139 Ca -0.10 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.41 1rir s GLY 139 CO 0.06 -1.81 0.08 -0.42 0.00 0.00 0.00 173.10 171.01 1rir s ILE 140 N -3.20 1.26 0.08 0.90 -1.09 -0.85 -1.84 121.20 116.46 1rir s ILE 140 Ca 0.24 -1.63 -0.12 0.00 -2.23 0.00 0.00 60.65 56.91 1rir s ILE 140 Cb 0.02 -1.93 -0.06 0.00 -1.58 0.00 0.00 42.46 38.90 1rir s ILE 140 CO 0.16 -0.63 0.43 -1.81 -1.23 0.00 0.00 174.94 171.86 1rir s ASP 141 N 1.42 6.71 -0.30 3.58 1.11 0.49 -1.07 116.67 128.62 1rir s ASP 141 Ca 0.09 0.89 -0.03 0.00 0.18 0.00 0.00 52.55 53.68 1rir s ASP 141 Cb -0.18 -2.22 0.10 0.00 1.07 0.00 0.00 42.92 41.70 1rir s ASP 141 CO -0.20 0.19 0.13 -0.69 1.18 0.00 0.00 175.17 175.78 1rir s VAL 142 N -1.34 0.06 -1.87 -1.27 1.01 -1.26 -1.21 120.40 114.51 1rir s VAL 142 Ca 0.32 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1rir s VAL 142 Cb -0.15 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.16 1rir s VAL 142 CO 0.17 -0.74 0.00 0.59 0.00 0.00 0.00 175.10 175.12 1rir n ASN 143 N 5.11 -5.27 -3.64 3.32 3.02 0.14 -4.93 115.26 113.02 1rir n ASN 143 Ca -0.04 0.44 -0.10 0.00 -0.03 0.00 0.00 54.58 54.84 1rir n ASN 143 Cb 0.42 -4.49 -0.07 0.00 -0.61 0.00 0.00 39.78 35.03 1rir n ASN 143 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1rir s SER 144 N -2.59 -0.67 0.00 6.41 0.15 -1.26 -2.69 113.70 113.05 1rir s SER 144 Ca 0.00 1.21 0.21 0.00 0.70 0.00 0.00 55.95 58.07 1rir s SER 144 Cb 0.00 1.24 1.14 0.00 -1.71 0.00 0.00 66.02 66.69 1rir s SER 144 CO 0.00 -0.20 1.66 1.33 1.20 0.00 0.00 173.24 177.23 1rir n VAL 145 N 2.94 0.23 -2.91 4.45 0.24 -0.35 -4.14 118.33 118.79 1rir n VAL 145 Ca -0.15 0.06 -0.44 0.00 -2.04 0.00 0.00 64.34 61.77 1rir n VAL 145 Cb 0.56 -0.72 -0.01 0.00 -1.47 0.00 0.00 33.84 32.21 1rir n VAL 145 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1rir s ASP 146 N -2.36 6.92 0.20 -1.34 -1.08 -1.26 -4.96 116.67 112.79 1rir s ASP 146 Ca 0.24 -2.66 -0.23 0.00 -0.52 0.00 0.00 52.55 49.38 1rir s ASP 146 Cb 0.14 -2.42 -0.14 0.00 -1.46 0.00 0.00 42.92 39.04 1rir s ASP 146 CO 0.29 -0.88 0.38 -1.20 0.52 0.00 0.00 175.17 174.28 1rir n SER 147 N 6.15 -1.31 -0.06 -0.34 7.64 -1.26 -4.88 113.62 119.56 1rir n SER 147 Ca 0.34 0.91 -0.13 0.00 1.01 0.00 0.00 58.87 61.00 1rir n SER 147 Cb 0.45 -0.80 -0.07 0.00 -1.01 0.00 0.00 64.21 62.79 1rir n SER 147 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1rir h VAL 148 N 0.75 1.34 -3.97 0.44 2.07 -1.42 -3.45 116.25 112.01 1rir h VAL 148 Ca -0.25 -1.38 -0.22 0.00 0.82 0.00 0.00 66.70 65.67 1rir h VAL 148 Cb 1.23 1.84 -0.19 0.00 -1.52 0.00 0.00 31.29 32.64 1rir h VAL 148 CO 0.47 0.41 -0.71 -0.75 0.02 0.00 0.00 177.57 177.01 1rir s LYS 149 N -4.26 0.55 0.05 1.57 2.20 -1.24 -5.01 119.74 113.59 1rir s LYS 149 Ca -0.14 -0.90 -0.07 0.00 -0.36 0.00 0.00 55.97 54.51 1rir s LYS 149 Cb 0.06 -0.12 -0.01 0.00 -1.51 0.00 0.00 37.83 36.25 1rir s LYS 149 CO 0.77 -0.01 0.13 0.95 -0.36 0.00 0.00 175.35 176.84 1rir s THR 150 N -2.17 0.13 0.00 3.43 -4.23 -1.26 -2.01 115.64 109.53 1rir s THR 150 Ca -0.05 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.37 1rir s THR 150 Cb -0.05 -1.01 -0.00 0.00 1.34 0.00 0.00 72.50 72.78 1rir s THR 150 CO -0.02 -0.60 -0.01 0.54 -0.54 0.00 0.00 174.62 173.99 1rir s VAL 151 N -2.88 0.05 0.15 2.29 0.11 -0.78 -4.99 120.40 114.35 1rir s VAL 151 Ca -0.03 -0.12 -0.31 0.00 -2.93 0.00 0.00 61.98 58.59 1rir s VAL 151 Cb 0.00 -0.06 -0.11 0.00 -1.53 0.00 0.00 36.38 34.68 1rir s VAL 151 CO -0.06 -0.04 1.78 -2.84 -3.33 0.00 0.00 175.10 170.61 1rir s PRO 152 N -0.17 4.14 0.21 1.54 0.02 -1.26 -2.05 135.00 137.43 1rir s PRO 152 Ca -0.02 2.59 0.01 0.00 0.02 0.00 0.00 61.00 63.61 1rir s PRO 152 Cb -0.01 -3.40 -0.05 0.00 0.02 0.00 0.00 34.50 31.06 1rir s PRO 152 CO -0.00 -0.80 0.05 -0.46 -0.33 0.00 0.00 177.00 175.46 1rir s TRP 153 N 2.15 1.35 -0.11 6.54 -0.00 -0.74 -4.86 118.94 123.27 1rir s TRP 153 Ca 0.78 -1.12 -0.02 0.00 -0.00 0.00 0.00 56.10 55.74 1rir s TRP 153 Cb -0.47 -0.77 0.04 0.00 -0.00 0.00 0.00 33.47 32.27 1rir s TRP 153 CO 0.35 -0.30 0.02 1.21 -0.00 0.00 0.00 176.95 178.23 1rir s ASN 154 N -3.23 1.92 -0.04 5.86 2.47 -1.26 -4.11 114.94 116.54 1rir s ASN 154 Ca 0.31 -0.29 -0.25 0.00 0.42 0.00 0.00 52.86 53.05 1rir s ASN 154 Cb 0.07 -0.43 -0.04 0.00 -1.45 0.00 0.00 41.25 39.41 1rir s ASN 154 CO 0.09 -0.24 0.78 -0.55 -3.72 0.00 0.00 177.10 173.46 1rir s SER 155 N 1.98 7.11 -0.21 -4.21 0.15 -1.26 -5.05 113.70 112.21 1rir s SER 155 Ca 0.03 1.33 -0.01 0.00 0.70 0.00 0.00 55.95 58.00 1rir s SER 155 Cb -0.14 -2.46 0.01 0.00 -1.71 0.00 0.00 66.02 61.73 1rir s SER 155 CO -0.06 -0.15 -0.11 -0.69 1.20 0.00 0.00 173.24 173.43 1rir s VAL 156 N 0.82 2.69 0.26 4.45 1.01 -1.26 -5.09 120.40 123.28 1rir s VAL 156 Ca 0.42 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 1rir s VAL 156 Cb -0.19 -2.24 -0.13 0.00 0.00 0.00 0.00 36.38 33.82 1rir s VAL 156 CO 0.21 0.40 1.33 -0.24 0.00 0.00 0.00 175.10 176.80 1rir n SER 157 N 4.68 2.52 -0.17 3.32 2.88 -1.26 -1.79 113.62 123.79 1rir n SER 157 Ca -0.19 1.16 -0.02 0.00 -1.33 0.00 0.00 58.87 58.49 1rir n SER 157 Cb 0.49 -1.41 -0.01 0.00 -0.75 0.00 0.00 64.21 62.53 1rir n SER 157 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rir n GLY 158 N 1.75 0.44 3.79 0.46 0.00 -1.20 -4.94 105.19 105.48 1rir n GLY 158 Ca 0.10 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1rir n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rir s ALA 159 N -1.65 3.69 -0.10 4.61 0.00 -0.74 -4.99 121.76 122.57 1rir s ALA 159 Ca 0.00 -0.69 -0.25 0.00 0.00 0.00 0.00 51.96 51.02 1rir s ALA 159 Cb 0.00 -1.94 -0.03 0.00 0.00 0.00 0.00 23.12 21.16 1rir s ALA 159 CO 0.00 0.46 0.80 0.08 0.00 0.00 0.00 175.76 177.10 1rir s VAL 160 N -0.52 4.95 -0.05 0.00 1.01 -1.26 -4.30 120.40 120.23 1rir s VAL 160 Ca 0.12 1.63 0.00 0.00 0.00 0.00 0.00 61.98 63.73 1rir s VAL 160 Cb -0.12 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 1rir s VAL 160 CO 0.02 0.14 -0.03 -0.69 0.00 0.00 0.00 175.10 174.54 1rir s VAL 161 N 1.41 3.99 -0.12 2.92 1.01 0.78 -4.45 120.40 125.94 1rir s VAL 161 Ca 0.40 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 1rir s VAL 161 Cb -0.18 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 1rir s VAL 161 CO 0.17 0.53 -0.07 -0.54 0.00 0.00 0.00 175.10 175.19 1rir s LYS 162 N -1.07 3.30 -0.09 2.72 1.02 -1.06 -1.71 119.74 122.86 1rir s LYS 162 Ca 0.15 -0.57 -0.00 0.00 0.02 0.00 0.00 55.97 55.57 1rir s LYS 162 Cb -0.11 -2.74 0.02 0.00 -0.52 0.00 0.00 37.83 34.48 1rir s LYS 162 CO 0.04 0.37 -0.05 0.08 -0.92 0.00 0.00 175.35 174.88 1rir s VAL 163 N -0.03 0.77 -0.20 3.17 1.01 0.58 -0.82 120.40 124.89 1rir s VAL 163 Ca -0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 1rir s VAL 163 Cb -0.14 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 1rir s VAL 163 CO 0.03 0.32 -0.02 -0.89 0.00 0.00 0.00 175.10 174.53 1rir s THR 164 N 1.59 3.71 -0.07 3.92 2.01 -0.98 -0.62 115.64 125.20 1rir s THR 164 Ca 0.01 -0.40 0.04 0.00 0.31 0.00 0.00 61.69 61.65 1rir s THR 164 Cb -0.13 -2.67 -0.02 0.00 0.01 0.00 0.00 72.50 69.69 1rir s THR 164 CO -0.05 0.43 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.44 1rir s VAL 165 N 1.08 2.68 -0.02 3.82 1.01 0.23 -1.84 120.40 127.35 1rir s VAL 165 Ca 0.02 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.19 1rir s VAL 165 Cb -0.14 -2.04 -0.00 0.00 0.00 0.00 0.00 36.38 34.19 1rir s VAL 165 CO 0.01 0.57 -0.11 -0.63 0.00 0.00 0.00 175.10 174.93 1rir s ILE 166 N -0.27 0.94 -0.10 2.22 1.01 -0.77 -1.25 121.20 122.98 1rir s ILE 166 Ca 0.01 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.21 1rir s ILE 166 Cb -0.13 -0.81 0.02 0.00 0.01 0.00 0.00 42.46 41.55 1rir s ILE 166 CO 0.03 0.28 -0.12 -0.47 0.00 0.00 0.00 174.94 174.65 1rir s TYR 167 N 0.04 1.72 -0.22 3.97 5.04 -0.52 -0.45 117.35 126.93 1rir s TYR 167 Ca -0.01 -0.78 -0.15 0.00 -2.44 0.00 0.00 57.07 53.68 1rir s TYR 167 Cb -0.08 -1.28 -0.04 0.00 0.35 0.00 0.00 41.96 40.91 1rir s TYR 167 CO 0.00 -0.44 0.38 0.34 -1.34 0.00 0.00 175.55 174.50 1rir s ASP 168 N 1.09 6.39 0.19 4.32 2.15 -0.87 -2.79 116.67 127.15 1rir s ASP 168 Ca -0.06 0.45 -0.12 0.00 0.43 0.00 0.00 52.55 53.26 1rir s ASP 168 Cb -0.14 -2.22 0.21 0.00 -0.30 0.00 0.00 42.92 40.46 1rir s ASP 168 CO -0.02 -0.09 1.76 0.77 -0.17 0.00 0.00 175.17 177.42 1rir h SER 169 N 7.51 0.24 0.00 -0.34 4.64 -1.80 -1.75 113.55 122.05 1rir h SER 169 Ca -0.35 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1rir h SER 169 Cb 1.16 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1rir h SER 169 CO 0.70 0.16 0.00 -1.54 -0.87 0.00 0.00 176.83 175.28 1rir n SER 170 N -4.97 0.00 0.00 4.97 3.41 -1.26 -3.93 113.62 111.84 1rir n SER 170 Ca 0.06 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 1rir n SER 170 Cb 0.21 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 1rir n SER 170 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1rir n THR 171 N -1.80 0.95 -3.90 6.66 -2.24 -1.25 -4.78 114.28 107.91 1rir n THR 171 Ca 0.00 0.30 -0.31 0.00 -2.27 0.00 0.00 64.05 61.77 1rir n THR 171 Cb 0.00 -1.30 -0.02 0.00 -2.10 0.00 0.00 70.33 66.91 1rir n THR 171 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1rir n LYS 172 N -1.19 -3.18 -3.59 -0.78 5.02 -0.66 -4.89 118.16 108.89 1rir n LYS 172 Ca 0.00 0.38 -0.39 0.00 -2.02 0.00 0.00 58.31 56.29 1rir n LYS 172 Cb 0.06 -5.10 -0.11 0.00 -0.02 0.00 0.00 35.03 29.86 1rir n LYS 172 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1rir s THR 173 N -3.12 5.20 -0.33 -0.18 2.01 -1.22 -1.53 115.64 116.48 1rir s THR 173 Ca 0.62 0.02 -0.18 0.00 0.31 0.00 0.00 61.69 62.46 1rir s THR 173 Cb -0.34 -3.53 -0.01 0.00 0.01 0.00 0.00 72.50 68.63 1rir s THR 173 CO 0.76 0.18 0.50 -0.22 -0.69 0.00 0.00 174.62 175.15 1rir s LEU 174 N 1.73 4.26 -0.21 4.42 2.96 0.13 -2.04 118.68 129.93 1rir s LEU 174 Ca 0.07 0.11 0.02 0.00 -0.22 0.00 0.00 54.13 54.10 1rir s LEU 174 Cb -0.16 -2.59 0.04 0.00 0.50 0.00 0.00 46.19 43.98 1rir s LEU 174 CO 0.10 -0.42 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.13 1rir s SER 175 N 1.71 3.62 0.19 3.68 0.01 0.40 -0.79 113.70 122.52 1rir s SER 175 Ca 0.19 -0.96 0.04 0.00 1.31 0.00 0.00 55.95 56.53 1rir s SER 175 Cb -0.15 -1.43 -0.03 0.00 0.21 0.00 0.00 66.02 64.62 1rir s SER 175 CO 0.12 -0.10 0.31 -0.69 0.41 0.00 0.00 173.24 173.29 1rir s VAL 176 N 1.26 5.26 -0.25 3.43 1.01 -0.03 -1.84 120.40 129.25 1rir s VAL 176 Ca -0.01 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.11 1rir s VAL 176 Cb -0.16 -3.78 0.12 0.00 0.00 0.00 0.00 36.38 32.56 1rir s VAL 176 CO -0.09 -0.20 0.30 0.00 0.00 0.00 0.00 175.10 175.11 1rir s ALA 177 N -1.85 -0.59 -0.31 5.51 0.00 -0.77 -2.83 121.76 120.92 1rir s ALA 177 Ca 0.34 0.20 -0.18 0.00 0.00 0.00 0.00 51.96 52.33 1rir s ALA 177 Cb -0.10 -1.62 -0.02 0.00 0.00 0.00 0.00 23.12 21.38 1rir s ALA 177 CO 0.29 -1.44 0.50 0.08 0.00 0.00 0.00 175.76 175.19 1rir s VAL 178 N 2.40 5.05 -0.30 0.00 1.01 0.47 -2.32 120.40 126.71 1rir s VAL 178 Ca 0.09 0.56 -0.12 0.00 0.00 0.00 0.00 61.98 62.52 1rir s VAL 178 Cb -0.15 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 1rir s VAL 178 CO -0.22 -0.07 0.23 -0.89 0.00 0.00 0.00 175.10 174.15 1rir s THR 179 N 2.34 5.28 0.69 3.92 2.01 0.00 -0.14 115.64 129.75 1rir s THR 179 Ca 0.19 0.06 -0.06 0.00 0.31 0.00 0.00 61.69 62.19 1rir s THR 179 Cb -0.15 -3.63 0.06 0.00 0.01 0.00 0.00 72.50 68.79 1rir s THR 179 CO 0.12 0.13 0.99 0.20 -0.69 0.00 0.00 174.62 175.36 1rir s ASN 180 N 1.74 4.85 0.12 3.53 0.01 -0.76 -2.56 114.94 121.86 1rir s ASN 180 Ca 0.08 0.38 -0.20 0.00 -0.71 0.00 0.00 52.86 52.40 1rir s ASN 180 Cb -0.17 -1.05 -0.06 0.00 0.41 0.00 0.00 41.25 40.39 1rir s ASN 180 CO 0.11 -1.56 1.75 -0.78 -1.51 0.00 0.00 177.10 175.11 1rir h ASP 181 N -0.52 0.05 0.23 -1.22 3.58 -1.88 -2.61 116.42 114.05 1rir h ASP 181 Ca -0.44 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.02 1rir h ASP 181 Cb 1.31 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 42.38 1rir h ASP 181 CO 0.59 0.06 -0.04 -0.55 -2.88 0.00 0.00 179.24 176.41 1rir h ASN 182 N 0.13 0.00 0.00 2.28 -0.00 -1.97 -3.47 115.58 112.56 1rir h ASN 182 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.37 1rir h ASN 182 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.37 1rir h ASN 182 CO -0.08 0.04 0.00 0.61 -0.00 0.00 0.00 177.43 178.00 1rir n GLY 183 N -0.90 3.76 3.34 9.14 0.00 -0.98 -5.12 105.19 114.42 1rir n GLY 183 Ca -0.02 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.70 1rir n GLY 183 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rir n ASP 184 N 0.00 -2.29 -4.40 1.61 9.92 -1.26 -4.38 116.55 115.75 1rir n ASP 184 Ca 0.00 0.90 -0.32 0.00 -0.53 0.00 0.00 54.79 54.84 1rir n ASP 184 Cb 0.00 -0.92 -0.14 0.00 -0.64 0.00 0.00 41.12 39.42 1rir n ASP 184 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1rir s ILE 185 N -1.49 2.63 -0.07 0.53 -4.36 -1.26 -1.84 121.20 115.34 1rir s ILE 185 Ca 0.61 -0.89 0.03 0.00 -0.26 0.00 0.00 60.65 60.14 1rir s ILE 185 Cb -0.70 -1.98 -0.02 0.00 1.25 0.00 0.00 42.46 41.00 1rir s ILE 185 CO 0.61 0.59 -0.15 -0.89 0.24 0.00 0.00 174.94 175.34 1rir s THR 186 N -0.67 3.01 0.01 8.37 2.01 0.81 -4.95 115.64 124.23 1rir s THR 186 Ca 0.11 -0.73 -0.02 0.00 0.31 0.00 0.00 61.69 61.36 1rir s THR 186 Cb -0.10 -2.19 -0.01 0.00 0.01 0.00 0.00 72.50 70.20 1rir s THR 186 CO -0.00 0.58 0.02 0.42 -0.69 0.00 0.00 174.62 174.94 1rir s THR 187 N -0.49 0.09 0.04 -0.82 -4.23 -1.26 0.18 115.64 109.14 1rir s THR 187 Ca 0.06 -0.74 -0.11 0.00 -1.18 0.00 0.00 61.69 59.72 1rir s THR 187 Cb -0.12 -0.28 0.01 0.00 1.34 0.00 0.00 72.50 73.46 1rir s THR 187 CO 0.02 -0.41 0.24 -0.51 -0.54 0.00 0.00 174.62 173.41 1rir s ILE 188 N -1.26 0.10 -0.02 2.99 2.07 -1.13 -5.01 121.20 118.94 1rir s ILE 188 Ca -0.14 -0.78 -0.16 0.00 -1.41 0.00 0.00 60.65 58.16 1rir s ILE 188 Cb -0.08 -0.88 0.03 0.00 0.13 0.00 0.00 42.46 41.65 1rir s ILE 188 CO -0.00 -0.43 0.34 0.00 -1.91 0.00 0.00 174.94 172.94 1rir s ALA 189 N -2.43 -0.88 -0.16 1.50 0.00 -1.26 -0.85 121.76 117.67 1rir s ALA 189 Ca -0.06 0.42 -0.28 0.00 0.00 0.00 0.00 51.96 52.04 1rir s ALA 189 Cb -0.02 0.07 0.07 0.00 0.00 0.00 0.00 23.12 23.25 1rir s ALA 189 CO -0.03 -0.27 0.72 -1.14 0.00 0.00 0.00 175.76 175.04 1rir s GLN 190 N -1.31 0.92 0.05 0.00 2.00 0.03 -4.98 119.66 116.37 1rir s GLN 190 Ca -0.13 0.61 -0.27 0.00 -2.00 0.00 0.00 55.36 53.57 1rir s GLN 190 Cb -0.05 0.44 -0.05 0.00 0.80 0.00 0.00 33.01 34.15 1rir s GLN 190 CO 0.05 -0.21 0.83 0.08 -0.50 0.00 0.00 175.29 175.54 1rir s VAL 191 N -0.42 4.70 -0.24 1.34 1.01 -1.26 0.20 120.40 125.73 1rir s VAL 191 Ca -0.05 1.78 -0.02 0.00 0.00 0.00 0.00 61.98 63.68 1rir s VAL 191 Cb -0.02 -4.18 0.13 0.00 0.00 0.00 0.00 36.38 32.30 1rir s VAL 191 CO 0.05 0.33 0.35 -0.69 0.00 0.00 0.00 175.10 175.14 1rir s VAL 192 N 0.10 -0.55 -0.58 2.92 1.01 -0.58 -4.94 120.40 117.78 1rir s VAL 192 Ca 0.42 -0.12 -0.27 0.00 0.00 0.00 0.00 61.98 62.01 1rir s VAL 192 Cb -0.21 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 1rir s VAL 192 CO 0.25 -0.17 1.83 -0.62 0.00 0.00 0.00 175.10 176.39 1rir s ASP 193 N 2.50 5.38 0.38 3.32 -1.08 -1.26 -4.76 116.67 121.15 1rir s ASP 193 Ca 0.11 0.42 0.06 0.00 -0.52 0.00 0.00 52.55 52.62 1rir s ASP 193 Cb -0.15 -2.53 0.77 0.00 -1.46 0.00 0.00 42.92 39.55 1rir s ASP 193 CO -0.17 -2.28 2.02 -0.07 0.52 0.00 0.00 175.17 175.19 1rir h LEU 194 N 15.97 0.58 -0.38 -1.34 3.38 -1.96 0.11 115.31 131.67 1rir h LEU 194 Ca -0.27 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1rir h LEU 194 Cb 1.16 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1rir h LEU 194 CO 1.20 0.41 0.00 1.17 0.09 0.00 0.00 178.44 181.31 1rir n LYS 195 N -4.46 0.11 -0.09 1.13 4.81 -1.26 -1.41 118.16 116.99 1rir n LYS 195 Ca 0.06 0.34 -0.10 0.00 -0.87 0.00 0.00 58.31 57.74 1rir n LYS 195 Cb 0.09 -1.71 -0.15 0.00 0.02 0.00 0.00 35.03 33.28 1rir n LYS 195 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1rir n ALA 196 N -1.65 1.49 -0.05 3.14 0.00 0.32 -4.61 120.51 119.15 1rir n ALA 196 Ca 0.03 -1.21 -0.00 0.00 0.00 0.00 0.00 53.44 52.25 1rir n ALA 196 Cb 0.20 -0.31 -0.15 0.00 0.00 0.00 0.00 19.45 19.20 1rir n ALA 196 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1rir n LYS 197 N -2.83 0.84 -4.43 0.00 4.76 -0.85 -5.01 118.16 110.63 1rir n LYS 197 Ca -0.30 -0.09 -0.30 0.00 -2.87 0.00 0.00 58.31 54.75 1rir n LYS 197 Cb 1.13 -1.46 -0.12 0.00 -1.84 0.00 0.00 35.03 32.74 1rir n LYS 197 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1rir s LEU 198 N -4.87 2.53 1.00 -0.35 1.43 -0.50 -4.90 118.68 113.01 1rir s LEU 198 Ca -0.08 -0.60 -0.12 0.00 -1.03 0.00 0.00 54.13 52.30 1rir s LEU 198 Cb 0.09 -1.42 0.19 0.00 0.03 0.00 0.00 46.19 45.07 1rir s LEU 198 CO 0.77 0.20 1.09 -2.16 0.23 0.00 0.00 176.35 176.48 1rir s PRO 199 N -1.93 0.41 0.20 1.29 0.04 -1.26 -4.65 135.00 129.09 1rir s PRO 199 Ca 0.16 0.54 -0.13 0.00 0.04 0.00 0.00 61.00 61.62 1rir s PRO 199 Cb -0.10 -1.73 0.23 0.00 0.04 0.00 0.00 34.50 32.93 1rir s PRO 199 CO 0.07 -2.75 1.68 0.93 0.04 0.00 0.00 177.00 176.97 1rir h GLU 200 N -1.91 0.12 -4.94 4.56 5.08 -1.96 -3.39 114.58 112.14 1rir h GLU 200 Ca -0.54 -0.01 -0.64 0.00 -1.00 0.00 0.00 59.36 57.17 1rir h GLU 200 Cb 1.33 -0.03 -0.17 0.00 0.50 0.00 0.00 28.75 30.38 1rir h GLU 200 CO 0.57 0.08 -0.53 1.03 -1.00 0.00 0.00 179.01 179.16 1rir s ARG 201 N -6.16 3.95 0.30 2.33 0.52 -1.26 -1.03 118.95 117.60 1rir s ARG 201 Ca -0.13 -0.32 0.02 0.00 -0.52 0.00 0.00 55.73 54.77 1rir s ARG 201 Cb 0.17 -3.60 -0.01 0.00 0.52 0.00 0.00 34.95 32.03 1rir s ARG 201 CO 0.73 -0.13 0.06 1.33 0.02 0.00 0.00 175.30 177.30 1rir n VAL 202 N 4.89 0.00 -4.09 3.52 0.24 -0.92 -2.45 118.33 119.51 1rir n VAL 202 Ca -0.14 -1.61 -0.14 0.00 -2.04 0.00 0.00 64.34 60.41 1rir n VAL 202 Cb 0.52 0.47 -0.13 0.00 -1.47 0.00 0.00 33.84 33.23 1rir n VAL 202 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1rir s LYS 203 N -3.12 0.43 -0.00 7.34 1.02 0.39 -1.40 119.74 124.40 1rir s LYS 203 Ca 0.08 -0.42 0.01 0.00 0.02 0.00 0.00 55.97 55.66 1rir s LYS 203 Cb 0.00 -0.31 -0.04 0.00 -0.52 0.00 0.00 37.83 36.96 1rir s LYS 203 CO 0.06 0.07 0.03 -0.06 -0.92 0.00 0.00 175.35 174.53 1rir s PHE 204 N -0.67 3.16 -0.01 3.18 0.08 -1.26 -2.01 117.98 120.45 1rir s PHE 204 Ca -0.04 0.13 -0.17 0.00 0.12 0.00 0.00 56.93 56.97 1rir s PHE 204 Cb -0.05 -1.69 0.06 0.00 -0.57 0.00 0.00 43.02 40.76 1rir s PHE 204 CO 0.00 0.50 0.77 0.41 -0.10 0.00 0.00 175.22 176.80 1rir n GLY 205 N 1.29 0.39 3.19 4.36 0.00 -0.80 -1.28 105.19 112.35 1rir n GLY 205 Ca -0.14 -0.96 -0.27 0.00 0.00 0.00 0.00 46.02 44.65 1rir n GLY 205 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rir s PHE 206 N -2.47 1.84 0.14 1.61 0.08 -0.59 -0.61 117.98 117.98 1rir s PHE 206 Ca 0.18 -0.42 0.04 0.00 0.12 0.00 0.00 56.93 56.85 1rir s PHE 206 Cb -0.00 -1.20 -0.04 0.00 -0.57 0.00 0.00 43.02 41.20 1rir s PHE 206 CO -0.00 -0.09 -0.10 0.45 -0.10 0.00 0.00 175.22 175.38 1rir s SER 207 N -0.29 1.73 0.31 1.36 0.15 0.11 -0.86 113.70 116.20 1rir s SER 207 Ca 0.03 -1.01 -0.09 0.00 0.70 0.00 0.00 55.95 55.58 1rir s SER 207 Cb -0.09 -0.00 0.01 0.00 -1.71 0.00 0.00 66.02 64.22 1rir s SER 207 CO 0.01 -0.34 0.54 0.00 1.20 0.00 0.00 173.24 174.64 1rir s ALA 208 N -3.33 0.08 0.06 5.45 0.00 0.13 -1.08 121.76 123.06 1rir s ALA 208 Ca 0.16 -1.11 -0.27 0.00 0.00 0.00 0.00 51.96 50.74 1rir s ALA 208 Cb 0.03 1.03 0.09 0.00 0.00 0.00 0.00 23.12 24.27 1rir s ALA 208 CO 0.00 -0.85 0.89 -1.54 0.00 0.00 0.00 175.76 174.25 1rir s SER 209 N -3.12 -0.32 0.30 0.00 1.04 -1.26 -2.73 113.70 107.62 1rir s SER 209 Ca 0.24 -0.13 0.03 0.00 0.48 0.00 0.00 55.95 56.57 1rir s SER 209 Cb -0.01 0.44 -0.02 0.00 0.10 0.00 0.00 66.02 66.52 1rir s SER 209 CO 0.14 -0.74 0.30 -0.83 0.98 0.00 0.00 173.24 173.09 1rir s GLY 210 N -2.65 1.89 0.00 7.32 0.00 -0.71 -0.58 107.32 112.59 1rir s GLY 210 Ca 0.07 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 42.97 1rir s GLY 210 CO -0.06 -1.31 0.00 -1.14 0.00 0.00 0.00 173.10 170.59 1rir n SER 211 N -1.21 1.16 -0.05 1.64 3.41 0.20 -3.92 113.62 114.86 1rir n SER 211 Ca 0.05 -0.88 -0.14 0.00 -0.26 0.00 0.00 58.87 57.64 1rir n SER 211 Cb 0.63 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.51 1rir n SER 211 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1rir h LEU 212 N 0.00 0.48 -0.23 1.04 6.46 -1.79 -3.29 115.31 117.98 1rir h LEU 212 Ca 0.00 -0.54 0.00 0.00 -0.12 0.00 0.00 57.88 57.22 1rir h LEU 212 Cb 0.00 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 39.79 1rir h LEU 212 CO 0.00 0.93 -0.69 0.61 -0.62 0.00 0.00 178.44 178.68 1rir n GLY 213 N 0.39 -0.44 3.31 3.75 0.00 -1.26 -4.90 105.19 106.04 1rir n GLY 213 Ca -0.07 -0.48 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 1rir n GLY 213 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rir s GLY 214 N -2.45 1.69 0.05 -0.02 0.00 -1.25 -2.30 107.32 103.04 1rir s GLY 214 Ca 0.08 -1.34 -0.17 0.00 0.00 0.00 0.00 44.72 43.29 1rir s GLY 214 CO 0.63 0.54 0.39 0.50 0.00 0.00 0.00 173.10 175.16 1rir s ARG 215 N 1.46 0.91 -0.05 2.90 0.52 0.34 0.60 118.95 125.63 1rir s ARG 215 Ca 0.03 -0.41 -0.31 0.00 -0.52 0.00 0.00 55.73 54.52 1rir s ARG 215 Cb -0.16 0.40 0.13 0.00 0.52 0.00 0.00 34.95 35.84 1rir s ARG 215 CO -0.01 -0.31 1.34 1.14 0.02 0.00 0.00 175.30 177.49 1rir s GLN 216 N -2.56 0.25 0.11 3.54 -2.07 -1.22 -4.08 119.66 113.62 1rir s GLN 216 Ca -0.05 -0.14 -0.19 0.00 -1.82 0.00 0.00 55.36 53.16 1rir s GLN 216 Cb -0.01 0.09 -0.07 0.00 -1.09 0.00 0.00 33.01 31.93 1rir s GLN 216 CO -0.03 -0.12 0.60 0.42 -1.32 0.00 0.00 175.29 174.84 1rir s ILE 217 N -2.27 4.71 -0.31 3.63 1.01 -0.92 -4.83 121.20 122.21 1rir s ILE 217 Ca 0.14 1.21 0.01 0.00 0.00 0.00 0.00 60.65 62.02 1rir s ILE 217 Cb 0.06 -3.89 0.09 0.00 0.01 0.00 0.00 42.46 38.73 1rir s ILE 217 CO -0.05 0.47 0.05 -1.00 0.00 0.00 0.00 174.94 174.41 1rir s HIS 218 N -1.21 2.69 -0.21 3.97 3.76 -1.26 -3.18 115.29 119.85 1rir s HIS 218 Ca 0.32 -2.27 -0.06 0.00 -0.15 0.00 0.00 55.06 52.90 1rir s HIS 218 Cb -0.19 -2.20 -0.03 0.00 1.11 0.00 0.00 32.58 31.27 1rir s HIS 218 CO 0.20 -0.89 0.03 -0.51 -0.85 0.00 0.00 174.74 172.72 1rir s LEU 219 N 1.28 3.40 -0.47 0.89 1.43 0.48 -0.86 118.68 124.83 1rir s LEU 219 Ca 0.08 -0.16 -0.14 0.00 -1.03 0.00 0.00 54.13 52.87 1rir s LEU 219 Cb -0.18 -1.88 0.08 0.00 0.03 0.00 0.00 46.19 44.24 1rir s LEU 219 CO -0.15 0.05 0.38 -0.63 0.23 0.00 0.00 176.35 176.23 1rir s ILE 220 N 1.12 5.01 0.02 -0.59 -1.09 -0.45 -0.70 121.20 124.52 1rir s ILE 220 Ca 0.03 -1.20 -0.11 0.00 -2.23 0.00 0.00 60.65 57.14 1rir s ILE 220 Cb -0.14 -4.03 -0.33 0.00 -1.58 0.00 0.00 42.46 36.38 1rir s ILE 220 CO 0.02 -0.60 0.94 0.03 -1.23 0.00 0.00 174.94 174.10 1rir h ARG 221 N 8.69 0.44 -3.24 2.79 3.08 -1.39 -2.76 114.38 121.99 1rir h ARG 221 Ca -0.27 -0.75 -0.04 0.00 0.07 0.00 0.00 59.98 58.99 1rir h ARG 221 Cb 1.10 0.28 -0.13 0.00 0.08 0.00 0.00 29.97 31.30 1rir h ARG 221 CO 0.87 1.35 0.02 -1.54 -1.07 0.00 0.00 179.97 179.59 1rir s SER 222 N -7.39 -0.34 -0.20 7.04 1.04 -1.14 -4.37 113.70 108.33 1rir s SER 222 Ca -0.10 -0.20 -0.13 0.00 0.48 0.00 0.00 55.95 56.01 1rir s SER 222 Cb 0.05 0.51 0.06 0.00 0.10 0.00 0.00 66.02 66.75 1rir s SER 222 CO 0.91 -0.88 0.51 0.86 0.98 0.00 0.00 173.24 175.62 1rir s TRP 223 N -3.71 -0.73 -0.05 5.02 -0.00 0.10 -1.92 118.94 117.65 1rir s TRP 223 Ca 0.02 1.54 0.00 0.00 -0.00 0.00 0.00 56.10 57.66 1rir s TRP 223 Cb 0.01 0.36 0.03 0.00 -0.00 0.00 0.00 33.47 33.86 1rir s TRP 223 CO -0.12 -0.38 -0.01 -1.54 -0.00 0.00 0.00 176.95 174.90 1rir s SER 224 N 1.27 0.95 0.04 5.86 1.04 -0.51 0.60 113.70 122.94 1rir s SER 224 Ca -0.08 -0.07 0.04 0.00 0.48 0.00 0.00 55.95 56.32 1rir s SER 224 Cb -0.07 -0.35 -0.02 0.00 0.10 0.00 0.00 66.02 65.68 1rir s SER 224 CO -0.12 -0.12 -0.11 0.12 0.98 0.00 0.00 173.24 173.99 1rir s PHE 225 N 1.29 0.97 -0.19 5.02 2.19 -1.11 -1.06 117.98 125.10 1rir s PHE 225 Ca -0.06 -0.37 -0.09 0.00 0.33 0.00 0.00 56.93 56.75 1rir s PHE 225 Cb -0.13 -0.58 0.07 0.00 -1.31 0.00 0.00 43.02 41.07 1rir s PHE 225 CO -0.02 -0.00 0.43 0.99 1.83 0.00 0.00 175.22 178.45 1rir s THR 226 N -0.93 -0.24 0.01 0.12 2.01 -0.92 -1.86 115.64 113.83 1rir s THR 226 Ca -0.02 0.11 0.04 0.00 0.31 0.00 0.00 61.69 62.14 1rir s THR 226 Cb -0.08 -0.65 -0.01 0.00 0.01 0.00 0.00 72.50 71.77 1rir s THR 226 CO 0.01 0.05 -0.12 -0.94 -0.69 0.00 0.00 174.62 172.92 1rir s SER 227 N 1.83 1.45 -0.07 3.53 1.04 -0.32 0.58 113.70 121.75 1rir s SER 227 Ca -0.07 -0.33 0.01 0.00 0.48 0.00 0.00 55.95 56.04 1rir s SER 227 Cb -0.09 -0.12 0.02 0.00 0.10 0.00 0.00 66.02 65.92 1rir s SER 227 CO -0.13 0.08 -0.07 -0.89 0.98 0.00 0.00 173.24 173.20 1rir s THR 228 N -0.56 0.85 -0.35 2.02 2.01 -0.06 -0.88 115.64 118.66 1rir s THR 228 Ca 0.03 -0.26 -0.04 0.00 0.31 0.00 0.00 61.69 61.73 1rir s THR 228 Cb -0.06 -0.84 0.07 0.00 0.01 0.00 0.00 72.50 71.67 1rir s THR 228 CO 0.00 0.31 0.10 -0.22 -0.69 0.00 0.00 174.62 174.12 1rir s LEU 229 N 1.13 4.48 0.13 4.42 2.96 0.17 -2.23 118.68 129.74 1rir s LEU 229 Ca -0.07 -1.48 -0.31 0.00 -0.22 0.00 0.00 54.13 52.05 1rir s LEU 229 Cb -0.14 -1.80 -0.08 0.00 0.50 0.00 0.00 46.19 44.67 1rir s LEU 229 CO -0.01 -0.38 1.39 -0.63 -1.32 0.00 0.00 176.35 175.39 1rir s ILE 230 N 1.26 3.26 -0.31 6.68 1.01 -1.26 -1.86 121.20 129.98 1rir s ILE 230 Ca 0.00 0.92 -0.01 0.00 0.00 0.00 0.00 60.65 61.57 1rir s ILE 230 Cb -0.21 -3.59 0.13 0.00 0.01 0.00 0.00 42.46 38.81 1rir s ILE 230 CO -0.01 0.08 0.27 0.42 0.00 0.00 0.00 174.94 175.70 1rir s THR 231 N 0.95 -0.27 0.00 2.92 -4.23 -1.26 -4.83 115.64 108.92 1rir s THR 231 Ca 0.64 -0.75 0.00 0.00 -1.18 0.00 0.00 61.69 60.40 1rir s THR 231 Cb -0.37 -0.94 0.00 0.00 1.34 0.00 0.00 72.50 72.53 1rir s THR 231 CO 0.32 -0.59 0.00 1.07 -0.54 0.00 0.00 174.62 174.87