#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 3.55 -0.02 0.00 2.12 -0.83 -4.94 118.70 118.59 1rir s GLU 2 Ca 0.00 -0.12 0.04 0.00 0.36 0.00 0.00 54.97 55.25 1rir s GLU 2 Cb 0.00 -3.85 -0.01 0.00 0.26 0.00 0.00 34.13 30.53 1rir s GLU 2 CO 0.00 -0.79 -0.14 0.99 -0.54 0.00 0.00 175.26 174.78 1rir s THR 3 N 2.66 1.16 -0.13 -1.70 2.01 -1.26 0.69 115.64 119.07 1rir s THR 3 Ca 0.22 -0.60 -0.01 0.00 0.31 0.00 0.00 61.69 61.62 1rir s THR 3 Cb -0.15 -0.99 -0.02 0.00 0.01 0.00 0.00 72.50 71.36 1rir s THR 3 CO 0.16 0.34 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.64 1rir s VAL 4 N -0.12 3.43 -0.26 3.82 1.01 -0.19 -4.98 120.40 123.11 1rir s VAL 4 Ca 0.01 -0.54 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 1rir s VAL 4 Cb -0.08 -2.45 0.11 0.00 0.00 0.00 0.00 36.38 33.95 1rir s VAL 4 CO 0.00 0.53 0.57 -0.94 0.00 0.00 0.00 175.10 175.26 1rir s SER 5 N 0.13 -0.80 0.30 3.32 1.04 -1.26 -1.12 113.70 115.31 1rir s SER 5 Ca -0.04 1.34 0.03 0.00 0.48 0.00 0.00 55.95 57.76 1rir s SER 5 Cb -0.14 1.79 -0.06 0.00 0.10 0.00 0.00 66.02 67.71 1rir s SER 5 CO 0.04 -0.22 0.07 0.72 0.98 0.00 0.00 173.24 174.82 1rir s PHE 6 N 2.55 1.81 -0.24 5.02 -0.12 -0.72 -5.02 117.98 121.26 1rir s PHE 6 Ca -0.05 -1.03 -0.11 0.00 -0.05 0.00 0.00 56.93 55.69 1rir s PHE 6 Cb -0.11 -1.14 0.09 0.00 -0.63 0.00 0.00 43.02 41.23 1rir s PHE 6 CO -0.17 -0.11 0.56 1.21 -0.05 0.00 0.00 175.22 176.66 1rir s ASN 7 N -3.42 -0.75 -0.19 1.98 2.47 -1.26 -2.56 114.94 111.20 1rir s ASN 7 Ca 0.37 1.29 0.01 0.00 0.42 0.00 0.00 52.86 54.95 1rir s ASN 7 Cb 0.08 1.52 0.03 0.00 -1.45 0.00 0.00 41.25 41.44 1rir s ASN 7 CO 0.15 -0.22 -0.15 -0.36 -3.72 0.00 0.00 177.10 172.79 1rir s PHE 8 N 2.19 2.67 -1.07 0.43 0.08 0.18 -4.94 117.98 117.53 1rir s PHE 8 Ca -0.07 -1.68 0.19 0.00 0.12 0.00 0.00 56.93 55.49 1rir s PHE 8 Cb -0.09 -1.80 -0.17 0.00 -0.57 0.00 0.00 43.02 40.39 1rir s PHE 8 CO -0.17 -0.78 0.84 0.09 -0.10 0.00 0.00 175.22 175.10 1rir n ASN 9 N 4.63 1.08 -3.86 1.36 3.02 -1.26 -1.01 115.26 119.22 1rir n ASN 9 Ca -0.17 -1.04 -0.09 0.00 -0.03 0.00 0.00 54.58 53.25 1rir n ASN 9 Cb 0.48 0.90 -0.04 0.00 -0.61 0.00 0.00 39.78 40.51 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 -2.68 -0.21 0.23 6.41 1.04 -1.26 -4.76 113.70 112.47 1rir s SER 10 Ca 0.09 -0.66 0.02 0.00 0.48 0.00 0.00 55.95 55.88 1rir s SER 10 Cb 0.15 0.63 -0.05 0.00 0.10 0.00 0.00 66.02 66.85 1rir s SER 10 CO 0.72 -1.18 0.05 -0.36 0.98 0.00 0.00 173.24 173.45 1rir s PHE 11 N -3.93 1.48 -0.29 5.02 0.40 -0.35 -5.00 117.98 115.31 1rir s PHE 11 Ca 0.14 -1.07 -0.20 0.00 -0.60 0.00 0.00 56.93 55.19 1rir s PHE 11 Cb -0.03 -0.87 0.13 0.00 0.51 0.00 0.00 43.02 42.77 1rir s PHE 11 CO 0.04 -0.22 1.01 -1.54 0.70 0.00 0.00 175.22 175.21 1rir s SER 12 N -3.28 -0.48 0.99 1.36 1.04 -1.26 -4.09 113.70 107.97 1rir s SER 12 Ca 0.32 0.83 -0.11 0.00 0.48 0.00 0.00 55.95 57.47 1rir s SER 12 Cb 0.07 1.03 0.17 0.00 0.10 0.00 0.00 66.02 67.39 1rir s SER 12 CO 0.10 -0.14 1.03 -0.62 0.98 0.00 0.00 173.24 174.59 1rir n GLU 13 N 2.98 -0.95 0.00 4.02 1.02 -1.26 -3.16 120.64 123.28 1rir n GLU 13 Ca -0.16 -0.22 0.00 0.00 -0.02 0.00 0.00 57.16 56.76 1rir n GLU 13 Cb 0.57 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.72 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 0.59 2.15 3.65 0.62 0.00 -1.26 -5.00 105.19 105.94 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 -3.29 6.90 0.00 1.61 3.04 -1.19 -4.88 114.94 117.14 1rir s ASN 15 Ca 0.00 1.57 0.11 0.00 0.04 0.00 0.00 52.86 54.59 1rir s ASN 15 Cb 0.00 -2.54 0.61 0.00 -1.54 0.00 0.00 41.25 37.78 1rir s ASN 15 CO 0.00 -0.82 1.22 -0.81 -3.04 0.00 0.00 177.10 173.65 1rir n PRO 16 N 6.73 0.23 0.03 0.43 -0.04 -1.26 -2.36 135.00 138.76 1rir n PRO 16 Ca 0.14 0.12 0.13 0.00 -0.04 0.00 0.00 63.50 63.85 1rir n PRO 16 Cb 0.45 -1.50 0.40 0.00 -0.04 0.00 0.00 33.50 32.82 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 -1.20 2.77 -3.25 0.55 0.00 -1.26 -4.72 120.51 113.40 1rir n ALA 17 Ca 0.06 -0.18 -0.21 0.00 0.00 0.00 0.00 53.44 53.11 1rir n ALA 17 Cb 0.07 -1.32 -0.16 0.00 0.00 0.00 0.00 19.45 18.05 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 -3.05 0.80 -0.17 0.00 1.01 -0.99 -0.34 121.20 118.47 1rir s ILE 18 Ca 0.11 -0.33 -0.06 0.00 0.00 0.00 0.00 60.65 60.36 1rir s ILE 18 Cb 0.16 -0.74 -0.04 0.00 0.01 0.00 0.00 42.46 41.86 1rir s ILE 18 CO 0.62 0.26 0.04 0.20 0.00 0.00 0.00 174.94 176.07 1rir s ASN 19 N 0.44 5.47 -0.34 3.58 0.02 -0.03 -4.81 114.94 119.26 1rir s ASN 19 Ca -0.07 0.06 -0.09 0.00 -1.02 0.00 0.00 52.86 51.73 1rir s ASN 19 Cb -0.11 -1.90 0.02 0.00 0.02 0.00 0.00 41.25 39.28 1rir s ASN 19 CO 0.01 0.19 0.16 -0.36 0.02 0.00 0.00 177.10 177.13 1rir s PHE 20 N 0.24 3.22 -0.23 2.20 0.08 -1.26 -1.21 117.98 121.02 1rir s PHE 20 Ca 0.03 -0.96 -0.04 0.00 0.12 0.00 0.00 56.93 56.07 1rir s PHE 20 Cb -0.13 -2.37 -0.01 0.00 -0.57 0.00 0.00 43.02 39.95 1rir s PHE 20 CO 0.01 -0.61 -0.03 -0.65 -0.10 0.00 0.00 175.22 173.84 1rir s GLN 21 N 1.53 3.37 0.00 0.44 -0.21 -0.84 -4.96 119.66 119.00 1rir s GLN 21 Ca 0.02 -0.63 0.00 0.00 0.02 0.00 0.00 55.36 54.77 1rir s GLN 21 Cb -0.19 -3.06 0.00 0.00 1.00 0.00 0.00 33.01 30.77 1rir s GLN 21 CO 0.05 -0.22 0.00 0.41 -2.12 0.00 0.00 175.29 173.42 1rir n GLY 22 N 4.81 -0.27 1.22 3.09 0.00 -1.26 0.33 105.19 113.11 1rir n GLY 22 Ca -0.18 -1.93 -0.03 0.00 0.00 0.00 0.00 46.02 43.88 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 3.54 -4.71 1.61 8.00 0.53 -4.89 116.55 120.63 1rir n ASP 23 Ca 0.00 -2.26 -0.42 0.00 0.71 0.00 0.00 54.79 52.82 1rir n ASP 23 Cb 0.00 -0.64 -0.03 0.00 -0.02 0.00 0.00 41.12 40.43 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 -0.41 4.20 -0.09 2.53 1.01 -1.24 -4.09 120.40 122.31 1rir s VAL 24 Ca 0.07 1.58 0.01 0.00 0.00 0.00 0.00 61.98 63.63 1rir s VAL 24 Cb 0.06 -4.01 0.02 0.00 0.00 0.00 0.00 36.38 32.45 1rir s VAL 24 CO 0.01 0.11 -0.08 0.28 0.00 0.00 0.00 175.10 175.41 1rir s THR 25 N 1.19 0.98 -0.24 3.92 -1.32 -0.19 -5.00 115.64 114.98 1rir s THR 25 Ca 0.57 -0.31 -0.22 0.00 -1.21 0.00 0.00 61.69 60.52 1rir s THR 25 Cb -0.27 -0.96 -0.01 0.00 -1.51 0.00 0.00 72.50 69.74 1rir s THR 25 CO 0.28 0.34 0.71 -0.69 -2.21 0.00 0.00 174.62 173.06 1rir s VAL 26 N 1.27 4.93 0.68 5.08 1.01 -1.26 -0.93 120.40 131.18 1rir s VAL 26 Ca -0.04 1.33 -0.12 0.00 0.00 0.00 0.00 61.98 63.15 1rir s VAL 26 Cb -0.14 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.23 1rir s VAL 26 CO -0.03 0.00 1.06 -0.76 0.00 0.00 0.00 175.10 175.37 1rir s LEU 27 N 2.52 3.19 0.00 3.92 1.43 0.49 -4.88 118.68 125.36 1rir s LEU 27 Ca 0.30 1.65 0.00 0.00 -1.03 0.00 0.00 54.13 55.06 1rir s LEU 27 Cb -0.16 -4.50 0.00 0.00 0.03 0.00 0.00 46.19 41.56 1rir s LEU 27 CO 0.08 -1.41 0.26 -1.54 0.23 0.00 0.00 176.35 173.97 1rir n SER 28 N -2.95 0.50 -1.00 2.29 3.41 -1.26 -2.23 113.62 112.38 1rir n SER 28 Ca 0.08 -1.02 0.04 0.00 -0.26 0.00 0.00 58.87 57.71 1rir n SER 28 Cb 0.53 -0.25 0.05 0.00 -0.26 0.00 0.00 64.21 64.28 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 0.23 0.93 -1.41 4.04 6.94 -1.26 -4.99 115.26 119.74 1rir n ASN 29 Ca 0.00 -2.35 -0.15 0.00 -0.02 0.00 0.00 54.58 52.07 1rir n ASN 29 Cb 0.13 -0.31 -0.04 0.00 -2.36 0.00 0.00 39.78 37.20 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 -0.00 0.65 3.51 4.83 0.00 -0.95 -4.88 105.19 108.35 1rir n GLY 30 Ca 0.07 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 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 4.11 -0.20 1.61 0.02 -1.25 -1.22 114.94 115.41 1rir s ASN 31 Ca 0.00 -0.30 -0.11 0.00 -1.02 0.00 0.00 52.86 51.43 1rir s ASN 31 Cb 0.00 -0.80 -0.05 0.00 0.02 0.00 0.00 41.25 40.42 1rir s ASN 31 CO 0.00 0.28 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 -1.03 -0.38 121.20 125.59 1rir s ILE 32 Ca 0.15 0.26 -0.07 0.00 0.00 0.00 0.00 60.65 60.99 1rir s ILE 32 Cb -0.11 -3.51 -0.01 0.00 0.01 0.00 0.00 42.46 38.84 1rir s ILE 32 CO 0.05 0.41 0.08 -1.58 0.00 0.00 0.00 174.94 173.90 1rir s GLN 33 N 0.53 3.37 0.15 2.79 0.74 -0.11 -1.22 119.66 125.92 1rir s GLN 33 Ca 0.10 -0.67 -0.02 0.00 0.05 0.00 0.00 55.36 54.82 1rir s GLN 33 Cb -0.12 -3.35 -0.05 0.00 1.10 0.00 0.00 33.01 30.60 1rir s GLN 33 CO 0.00 -0.32 1.34 -0.07 -0.55 0.00 0.00 175.29 175.70 1rir h LEU 34 N 8.24 0.43 -9.04 3.68 3.38 -1.24 -0.47 115.31 120.29 1rir h LEU 34 Ca -0.35 -0.34 -0.63 0.00 0.09 0.00 0.00 57.88 56.66 1rir h LEU 34 Cb 1.15 -0.13 -0.18 0.00 0.09 0.00 0.00 40.66 41.59 1rir h LEU 34 CO 0.60 1.13 -0.80 0.42 0.09 0.00 0.00 178.44 179.87 1rir s THR 35 N -3.29 2.29 -0.19 0.22 -4.23 -1.26 -3.50 115.64 105.69 1rir s THR 35 Ca -0.05 -2.09 -0.18 0.00 -1.18 0.00 0.00 61.69 58.20 1rir s THR 35 Cb 0.09 -2.12 -0.04 0.00 1.34 0.00 0.00 72.50 71.78 1rir s THR 35 CO 0.85 -0.21 0.48 0.21 -0.54 0.00 0.00 174.62 175.42 1rir s ASN 36 N -2.84 6.55 0.48 3.99 3.84 -1.26 -4.85 114.94 120.85 1rir s ASN 36 Ca 0.22 0.65 0.27 0.00 0.21 0.00 0.00 52.86 54.21 1rir s ASN 36 Cb -0.07 -2.28 0.91 0.00 -0.55 0.00 0.00 41.25 39.27 1rir s ASN 36 CO 0.10 -0.13 1.82 -0.07 -2.79 0.00 0.00 177.10 176.03 1rir h LEU 37 N 7.69 0.00 -3.34 3.21 4.07 -1.96 -3.19 115.31 121.79 1rir h LEU 37 Ca -0.35 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.57 1rir h LEU 37 Cb 1.16 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.88 1rir h LEU 37 CO 0.74 0.09 0.04 0.59 -1.08 0.00 0.00 178.44 178.81 1rir n ASN 38 N -3.17 5.17 -4.34 -0.43 3.02 -1.26 -4.93 115.26 109.32 1rir n ASN 38 Ca 0.01 -2.88 -0.23 0.00 -0.03 0.00 0.00 54.58 51.45 1rir n ASN 38 Cb 0.42 -0.68 -0.12 0.00 -0.61 0.00 0.00 39.78 38.80 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 -2.62 1.30 -0.10 3.52 1.02 -1.20 -5.12 119.74 116.55 1rir s LYS 39 Ca 0.49 -1.39 -0.18 0.00 0.02 0.00 0.00 55.97 54.91 1rir s LYS 39 Cb 0.38 -1.45 -0.04 0.00 -0.52 0.00 0.00 37.83 36.19 1rir s LYS 39 CO 0.14 0.31 0.49 0.08 -0.92 0.00 0.00 175.35 175.44 1rir s VAL 40 N -1.83 5.15 -1.23 3.17 1.01 -1.26 -4.10 120.40 121.30 1rir s VAL 40 Ca 0.15 0.98 -0.00 0.00 0.00 0.00 0.00 61.98 63.11 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 0.35 0.03 -0.46 0.00 0.00 0.00 175.10 175.10 1rir n ASN 41 N 3.44 -4.45 -4.55 3.32 0.23 -1.24 -4.95 115.26 107.06 1rir n ASN 41 Ca -0.07 -0.03 -0.36 0.00 -0.53 0.00 0.00 54.58 53.59 1rir n ASN 41 Cb 0.52 -3.59 0.08 0.00 -2.08 0.00 0.00 39.78 34.71 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 -0.81 -0.27 -3.66 0.53 2.88 -1.25 -4.23 113.62 106.81 1rir n SER 42 Ca -0.17 0.64 -0.09 0.00 -1.33 0.00 0.00 58.87 57.93 1rir n SER 42 Cb 0.63 -1.32 -0.08 0.00 -0.75 0.00 0.00 64.21 62.69 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 -1.85 -0.01 -0.10 2.46 1.01 -1.26 -1.49 120.40 119.16 1rir s VAL 43 Ca 0.70 0.03 -0.13 0.00 0.00 0.00 0.00 61.98 62.58 1rir s VAL 43 Cb -0.35 -0.87 0.03 0.00 0.00 0.00 0.00 36.38 35.19 1rir s VAL 43 CO 0.54 0.01 0.34 -0.83 0.00 0.00 0.00 175.10 175.16 1rir s GLY 44 N 1.40 -0.23 0.07 4.51 0.00 -1.14 -0.35 107.32 111.57 1rir s GLY 44 Ca -0.09 0.82 0.01 0.00 0.00 0.00 0.00 44.72 45.47 1rir s GLY 44 CO -0.15 0.66 -0.06 0.50 0.00 0.00 0.00 173.10 174.05 1rir s ARG 45 N -0.20 0.68 -0.06 2.90 0.52 0.15 -1.19 118.95 121.75 1rir s ARG 45 Ca -0.03 -1.10 0.01 0.00 -0.52 0.00 0.00 55.73 54.09 1rir s ARG 45 Cb -0.03 -0.16 0.02 0.00 0.52 0.00 0.00 34.95 35.29 1rir s ARG 45 CO 0.01 -0.01 -0.08 0.54 0.02 0.00 0.00 175.30 175.78 1rir s VAL 46 N -2.83 0.86 0.09 3.52 0.11 -0.23 -1.98 120.40 119.96 1rir s VAL 46 Ca 0.03 -0.30 0.06 0.00 -2.93 0.00 0.00 61.98 58.84 1rir s VAL 46 Cb -0.00 -0.83 -0.03 0.00 -1.53 0.00 0.00 36.38 33.98 1rir s VAL 46 CO -0.04 0.30 -0.15 -0.76 -3.33 0.00 0.00 175.10 171.12 1rir s LEU 47 N 0.89 2.32 -0.34 2.54 1.43 -0.35 -1.82 118.68 123.36 1rir s LEU 47 Ca -0.11 -0.69 -0.29 0.00 -1.03 0.00 0.00 54.13 52.01 1rir s LEU 47 Cb -0.15 -0.59 0.02 0.00 0.03 0.00 0.00 46.19 45.49 1rir s LEU 47 CO 0.01 -0.07 1.13 -0.47 0.23 0.00 0.00 176.35 177.18 1rir s TYR 48 N -1.52 3.01 0.29 0.29 5.04 -0.35 -0.85 117.35 123.26 1rir s TYR 48 Ca 0.03 1.06 -0.02 0.00 -2.44 0.00 0.00 57.07 55.70 1rir s TYR 48 Cb -0.08 -3.84 0.62 0.00 0.35 0.00 0.00 41.96 39.01 1rir s TYR 48 CO 0.03 -1.03 1.54 0.00 -1.34 0.00 0.00 175.55 174.75 1rir n ALA 49 N 7.15 0.38 -2.02 3.97 0.00 0.54 -4.60 120.51 125.94 1rir n ALA 49 Ca 0.13 1.07 -0.37 0.00 0.00 0.00 0.00 53.44 54.26 1rir n ALA 49 Cb 0.47 -0.72 -0.06 0.00 0.00 0.00 0.00 19.45 19.14 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 -6.10 4.38 0.23 0.00 0.00 -1.26 -4.98 119.30 111.57 1rir s MET 50 Ca -0.14 1.01 -0.30 0.00 0.00 0.00 0.00 55.69 56.27 1rir s MET 50 Cb 0.28 -2.95 -0.09 0.00 0.00 0.00 0.00 34.83 32.08 1rir s MET 50 CO 0.77 0.41 0.97 -2.14 0.00 0.00 0.00 175.02 175.03 1rir s PRO 51 N -1.81 4.80 -0.15 4.11 0.02 -1.26 -4.81 135.00 135.90 1rir s PRO 51 Ca 0.43 1.55 -0.03 0.00 0.02 0.00 0.00 61.00 62.97 1rir s PRO 51 Cb -0.18 -3.27 -0.02 0.00 0.02 0.00 0.00 34.50 31.04 1rir s PRO 51 CO 0.23 0.43 -0.06 0.08 -0.33 0.00 0.00 177.00 177.34 1rir s VAL 52 N -1.06 3.67 -0.83 3.83 1.01 -0.50 -4.91 120.40 121.61 1rir s VAL 52 Ca 0.42 -0.44 -0.26 0.00 0.00 0.00 0.00 61.98 61.71 1rir s VAL 52 Cb -0.27 -2.59 0.03 0.00 0.00 0.00 0.00 36.38 33.55 1rir s VAL 52 CO 0.33 0.50 1.37 -0.60 0.00 0.00 0.00 175.10 176.70 1rir s ARG 53 N 0.37 3.29 0.31 2.72 3.52 -1.26 -2.14 118.95 125.76 1rir s ARG 53 Ca -0.06 -0.49 0.12 0.00 -0.13 0.00 0.00 55.73 55.17 1rir s ARG 53 Cb -0.15 -4.58 0.51 0.00 -1.56 0.00 0.00 34.95 29.17 1rir s ARG 53 CO 0.04 -2.21 1.69 -0.84 -0.81 0.00 0.00 175.30 173.17 1rir h ILE 54 N 6.33 1.32 -3.92 4.11 3.07 -1.41 -3.46 117.51 123.55 1rir h ILE 54 Ca -0.12 -1.80 -0.10 0.00 1.55 0.00 0.00 64.86 64.39 1rir h ILE 54 Cb 1.04 1.99 -0.15 0.00 -0.27 0.00 0.00 36.82 39.43 1rir h ILE 54 CO 1.32 0.51 -0.47 -1.66 -1.05 0.00 0.00 178.15 176.80 1rir s TRP 55 N -3.77 0.25 -0.18 0.16 1.48 -1.25 0.37 118.94 116.00 1rir s TRP 55 Ca -0.02 -0.70 -0.02 0.00 -1.06 0.00 0.00 56.10 54.31 1rir s TRP 55 Cb 0.13 -0.16 -0.00 0.00 -1.16 0.00 0.00 33.47 32.28 1rir s TRP 55 CO 0.74 -0.48 -0.10 0.45 -4.06 0.00 0.00 176.95 173.50 1rir s SER 56 N -2.80 3.96 0.27 -2.66 0.15 -0.87 -4.73 113.70 107.02 1rir s SER 56 Ca 0.04 -0.42 0.22 0.00 0.70 0.00 0.00 55.95 56.49 1rir s SER 56 Cb 0.05 -1.64 1.03 0.00 -1.71 0.00 0.00 66.02 63.75 1rir s SER 56 CO -0.10 0.05 1.67 -1.54 1.20 0.00 0.00 173.24 174.52 1rir n SER 57 N 4.33 0.60 -0.11 5.45 3.41 -1.26 0.34 113.62 126.37 1rir n SER 57 Ca -0.19 0.70 -0.24 0.00 -0.26 0.00 0.00 58.87 58.89 1rir n SER 57 Cb 0.51 -0.81 -0.11 0.00 -0.26 0.00 0.00 64.21 63.55 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 -1.77 0.88 0.07 7.33 0.00 -1.26 -4.51 120.51 121.26 1rir n ALA 58 Ca 0.01 -0.63 -0.17 0.00 0.00 0.00 0.00 53.44 52.64 1rir n ALA 58 Cb 0.14 -0.40 -0.09 0.00 0.00 0.00 0.00 19.45 19.11 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 -1.00 1.36 0.00 0.00 1.35 -1.92 -3.47 112.91 109.23 1rir h THR 59 Ca -0.43 -2.49 0.00 0.00 -0.55 0.00 0.00 66.41 62.94 1rir h THR 59 Cb 1.37 2.54 0.00 0.00 -1.73 0.00 0.00 68.15 70.33 1rir h THR 59 CO -0.26 0.75 0.00 0.61 -0.25 0.00 0.00 175.52 176.37 1rir n GLY 60 N 1.15 1.33 3.82 5.82 0.00 0.15 -5.03 105.19 112.44 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 5.52 -0.04 1.61 0.02 -1.25 -4.84 114.94 112.93 1rir s ASN 61 Ca 0.00 1.62 0.01 0.00 -1.02 0.00 0.00 52.86 53.47 1rir s ASN 61 Cb 0.00 -2.50 0.02 0.00 0.02 0.00 0.00 41.25 38.79 1rir s ASN 61 CO 0.00 -1.35 -0.06 -0.69 0.02 0.00 0.00 177.10 175.02 1rir s VAL 62 N -2.99 0.59 0.63 1.60 1.01 -1.26 -2.06 120.40 117.92 1rir s VAL 62 Ca 0.58 -0.19 -0.17 0.00 0.00 0.00 0.00 61.98 62.21 1rir s VAL 62 Cb -0.14 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.64 1rir s VAL 62 CO 0.53 0.23 1.14 0.00 0.00 0.00 0.00 175.10 176.99 1rir s ALA 63 N 0.70 2.50 0.14 5.51 0.00 0.16 -4.53 121.76 126.23 1rir s ALA 63 Ca -0.10 0.74 0.05 0.00 0.00 0.00 0.00 51.96 52.65 1rir s ALA 63 Cb -0.13 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 1rir s ALA 63 CO 0.01 -1.20 0.09 -1.12 0.00 0.00 0.00 175.76 173.54 1rir s SER 64 N -2.14 5.37 0.00 0.00 0.01 -1.05 -4.46 113.70 111.43 1rir s SER 64 Ca 0.71 -0.15 -0.11 0.00 1.31 0.00 0.00 55.95 57.71 1rir s SER 64 Cb -0.24 -1.37 0.01 0.00 0.21 0.00 0.00 66.02 64.64 1rir s SER 64 CO 0.37 0.10 0.23 0.72 0.41 0.00 0.00 173.24 175.07 1rir s PHE 65 N -1.63 -0.07 -0.25 2.43 -0.12 -1.11 -1.05 117.98 116.18 1rir s PHE 65 Ca 0.30 0.04 0.00 0.00 -0.05 0.00 0.00 56.93 57.22 1rir s PHE 65 Cb -0.11 0.03 0.07 0.00 -0.63 0.00 0.00 43.02 42.38 1rir s PHE 65 CO 0.22 -0.36 -0.00 -1.17 -0.05 0.00 0.00 175.22 173.86 1rir s LEU 66 N -1.46 2.55 -0.03 -1.99 2.96 0.14 -1.36 118.68 119.50 1rir s LEU 66 Ca -0.13 -1.32 0.04 0.00 -0.22 0.00 0.00 54.13 52.50 1rir s LEU 66 Cb -0.06 -1.09 -0.00 0.00 0.50 0.00 0.00 46.19 45.54 1rir s LEU 66 CO 0.02 -0.30 -0.15 0.28 -1.32 0.00 0.00 176.35 174.88 1rir s THR 67 N 1.45 1.25 0.02 3.68 -1.32 -0.46 -2.12 115.64 118.13 1rir s THR 67 Ca -0.00 -0.64 0.02 0.00 -1.21 0.00 0.00 61.69 59.86 1rir s THR 67 Cb -0.18 -1.07 -0.01 0.00 -1.51 0.00 0.00 72.50 69.72 1rir s THR 67 CO -0.10 0.36 -0.08 -0.94 -2.21 0.00 0.00 174.62 171.65 1rir s SER 68 N -0.05 0.91 0.18 8.08 1.04 -0.36 0.73 113.70 124.22 1rir s SER 68 Ca -0.01 -0.29 -0.14 0.00 0.48 0.00 0.00 55.95 55.99 1rir s SER 68 Cb -0.09 -0.05 0.01 0.00 0.10 0.00 0.00 66.02 65.99 1rir s SER 68 CO 0.01 -0.01 0.41 0.72 0.98 0.00 0.00 173.24 175.34 1rir s PHE 69 N -0.62 0.10 0.03 5.02 -0.12 0.29 -1.35 117.98 121.33 1rir s PHE 69 Ca -0.01 -0.45 0.05 0.00 -0.05 0.00 0.00 56.93 56.46 1rir s PHE 69 Cb -0.05 0.19 -0.02 0.00 -0.63 0.00 0.00 43.02 42.50 1rir s PHE 69 CO 0.00 -0.81 -0.14 -1.54 -0.05 0.00 0.00 175.22 172.68 1rir s SER 70 N -2.91 1.65 0.29 1.98 1.04 -0.75 -0.30 113.70 114.71 1rir s SER 70 Ca 0.12 -0.41 -0.00 0.00 0.48 0.00 0.00 55.95 56.14 1rir s SER 70 Cb 0.01 -0.12 -0.02 0.00 0.10 0.00 0.00 66.02 65.99 1rir s SER 70 CO -0.02 0.07 0.33 0.72 0.98 0.00 0.00 173.24 175.32 1rir s PHE 71 N -0.72 1.22 -0.17 5.02 -0.12 -0.60 -1.14 117.98 121.46 1rir s PHE 71 Ca 0.03 -1.36 -0.15 0.00 -0.05 0.00 0.00 56.93 55.40 1rir s PHE 71 Cb -0.07 -0.36 0.05 0.00 -0.63 0.00 0.00 43.02 42.01 1rir s PHE 71 CO 0.01 -0.92 0.45 -2.00 -0.05 0.00 0.00 175.22 172.71 1rir s GLU 72 N -3.55 0.51 -0.31 1.99 2.12 -0.06 0.04 118.70 119.45 1rir s GLU 72 Ca 0.35 0.67 -0.00 0.00 0.36 0.00 0.00 54.97 56.35 1rir s GLU 72 Cb 0.02 0.21 0.10 0.00 0.26 0.00 0.00 34.13 34.72 1rir s GLU 72 CO 0.19 -0.08 0.08 -1.64 -0.54 0.00 0.00 175.26 173.27 1rir s MET 73 N 0.47 0.86 -0.03 4.30 -1.94 -1.26 -0.40 119.30 121.30 1rir s MET 73 Ca -0.02 -1.16 -0.14 0.00 -1.71 0.00 0.00 55.69 52.66 1rir s MET 73 Cb -0.04 -2.19 -0.05 0.00 2.01 0.00 0.00 34.83 34.55 1rir s MET 73 CO -0.02 -0.95 0.37 0.21 -0.01 0.00 0.00 175.02 174.61 1rir s LYS 74 N 1.51 3.88 0.85 2.03 2.20 -1.19 -3.13 119.74 125.90 1rir s LYS 74 Ca 0.09 0.32 -0.12 0.00 -0.36 0.00 0.00 55.97 55.90 1rir s LYS 74 Cb -0.18 -3.23 0.10 0.00 -1.51 0.00 0.00 37.83 33.01 1rir s LYS 74 CO -0.21 0.66 1.11 -0.51 -0.36 0.00 0.00 175.35 176.04 1rir s ASP 75 N -0.93 4.05 -0.05 1.43 1.01 -1.26 -2.05 116.67 118.86 1rir s ASP 75 Ca 0.22 1.16 -0.01 0.00 0.71 0.00 0.00 52.55 54.62 1rir s ASP 75 Cb -0.16 -1.82 0.03 0.00 1.01 0.00 0.00 42.92 41.98 1rir s ASP 75 CO 0.11 -2.23 0.03 0.27 0.21 0.00 0.00 175.17 173.56 1rir s ILE 76 N -3.21 0.10 -0.02 0.77 -4.36 -1.26 -4.86 121.20 108.36 1rir s ILE 76 Ca 0.62 0.28 -0.12 0.00 -0.26 0.00 0.00 60.65 61.17 1rir s ILE 76 Cb -0.15 -0.30 -0.06 0.00 1.25 0.00 0.00 42.46 43.20 1rir s ILE 76 CO 0.54 0.21 0.33 1.17 0.24 0.00 0.00 174.94 177.42 1rir n LYS 77 N 5.11 0.00 -3.44 0.37 4.81 -1.26 -2.29 118.16 121.47 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 -0.43 0.08 0.00 0.02 0.00 0.00 35.03 35.20 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 0.53 -3.66 -3.70 3.14 8.00 -1.26 -5.03 116.55 114.58 1rir n ASP 78 Ca 0.06 -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 -0.47 -0.04 1.24 2.02 -0.97 -5.07 117.35 110.73 1rir s TYR 79 Ca 0.22 1.06 -0.30 0.00 -0.37 0.00 0.00 57.07 57.68 1rir s TYR 79 Cb -0.10 0.19 -0.02 0.00 -0.40 0.00 0.00 41.96 41.63 1rir s TYR 79 CO 0.70 -0.32 1.01 -0.51 -1.57 0.00 0.00 175.55 174.86 1rir s ASP 80 N -0.22 7.30 -0.32 2.29 1.11 -0.98 -4.73 116.67 121.11 1rir s ASP 80 Ca -0.04 1.64 -0.28 0.00 0.18 0.00 0.00 52.55 54.04 1rir s ASP 80 Cb -0.03 -2.56 -0.02 0.00 1.07 0.00 0.00 42.92 41.37 1rir s ASP 80 CO 0.02 -0.35 1.84 -2.84 1.18 0.00 0.00 175.17 175.02 1rir s PRO 81 N 1.43 3.31 0.13 8.23 0.02 -1.26 -0.30 135.00 146.55 1rir s PRO 81 Ca 0.51 1.48 -0.25 0.00 0.02 0.00 0.00 61.00 62.76 1rir s PRO 81 Cb -0.21 -4.22 0.07 0.00 0.02 0.00 0.00 34.50 30.17 1rir s PRO 81 CO 0.24 -1.89 0.89 0.00 -0.33 0.00 0.00 177.00 175.91 1rir s ALA 82 N 7.06 -1.64 -0.14 -1.55 0.00 -1.26 -4.29 121.76 119.94 1rir s ALA 82 Ca 0.82 0.33 0.20 0.00 0.00 0.00 0.00 51.96 53.31 1rir s ALA 82 Cb -0.23 0.63 -0.17 0.00 0.00 0.00 0.00 23.12 23.34 1rir s ALA 82 CO 0.34 -0.93 0.70 -0.25 0.00 0.00 0.00 175.76 175.61 1rir n ASP 83 N -0.40 0.48 0.00 0.00 8.00 -0.02 -3.43 116.55 121.17 1rir n ASP 83 Ca -0.07 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.62 1rir n ASP 83 Cb 0.61 0.95 0.00 0.00 -0.02 0.00 0.00 41.12 42.67 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 1.32 2.31 4.00 0.44 0.00 -1.26 -2.85 105.19 109.15 1rir n GLY 84 Ca -0.07 -2.07 -0.18 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.75 2.93 -0.23 -0.61 1.01 -1.19 -4.08 121.20 117.27 1rir s ILE 85 Ca 0.00 -1.04 -0.14 0.00 0.00 0.00 0.00 60.65 59.47 1rir s ILE 85 Cb 0.00 -2.96 0.07 0.00 0.01 0.00 0.00 42.46 39.57 1rir s ILE 85 CO 0.00 0.00 0.57 -0.51 0.00 0.00 0.00 174.94 175.00 1rir s ILE 86 N -2.38 -0.01 -0.27 2.92 2.07 -0.14 -2.10 121.20 121.29 1rir s ILE 86 Ca 0.54 0.03 -0.11 0.00 -1.41 0.00 0.00 60.65 59.71 1rir s ILE 86 Cb -0.09 -0.82 -0.05 0.00 0.13 0.00 0.00 42.46 41.63 1rir s ILE 86 CO 0.33 0.01 0.18 0.12 -1.91 0.00 0.00 174.94 173.67 1rir s PHE 87 N 1.26 3.22 0.15 3.50 5.36 -0.51 0.01 117.98 130.97 1rir s PHE 87 Ca -0.08 0.10 -0.02 0.00 -0.96 0.00 0.00 56.93 55.97 1rir s PHE 87 Cb -0.06 -2.35 -0.04 0.00 -0.34 0.00 0.00 43.02 40.23 1rir s PHE 87 CO -0.13 -0.14 0.10 -0.59 -1.46 0.00 0.00 175.22 173.00 1rir s PHE 88 N 1.63 0.89 -0.06 10.12 -0.71 0.36 -0.48 117.98 129.74 1rir s PHE 88 Ca 0.07 -1.23 0.03 0.00 -1.04 0.00 0.00 56.93 54.77 1rir s PHE 88 Cb -0.16 -0.46 0.01 0.00 -1.21 0.00 0.00 43.02 41.20 1rir s PHE 88 CO 0.09 -0.57 -0.15 0.42 -1.34 0.00 0.00 175.22 173.67 1rir s ILE 89 N -4.07 1.35 0.22 -4.49 1.01 0.96 -1.88 121.20 114.30 1rir s ILE 89 Ca 0.27 -0.63 -0.06 0.00 0.00 0.00 0.00 60.65 60.23 1rir s ILE 89 Cb 0.07 -1.20 -0.02 0.00 0.01 0.00 0.00 42.46 41.32 1rir s ILE 89 CO 0.04 0.40 0.28 0.00 0.00 0.00 0.00 174.94 175.67 1rir s ALA 90 N 0.40 0.50 0.35 9.38 0.00 -0.78 -1.43 121.76 130.18 1rir s ALA 90 Ca -0.11 -1.30 -0.28 0.00 0.00 0.00 0.00 51.96 50.26 1rir s ALA 90 Cb -0.14 1.22 -0.11 0.00 0.00 0.00 0.00 23.12 24.08 1rir s ALA 90 CO 0.04 -0.70 1.45 -2.14 0.00 0.00 0.00 175.76 174.41 1rir s PRO 91 N -4.09 4.17 0.58 0.00 0.02 -1.26 -0.10 135.00 134.33 1rir s PRO 91 Ca 0.31 2.48 0.33 0.00 0.02 0.00 0.00 61.00 64.14 1rir s PRO 91 Cb 0.04 -3.00 1.32 0.00 0.02 0.00 0.00 34.50 32.88 1rir s PRO 91 CO 0.10 -0.46 1.61 1.05 -0.33 0.00 0.00 177.00 178.97 1rir h GLU 92 N 3.32 0.00 -0.09 5.54 4.11 -1.71 0.24 114.58 125.99 1rir h GLU 92 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 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 -3.65 1.15 -4.57 3.06 5.68 -1.26 -4.91 116.55 112.06 1rir n ASP 93 Ca 0.22 -1.54 -0.64 0.00 -0.50 0.00 0.00 54.79 52.33 1rir n ASP 93 Cb 1.30 -0.05 -0.10 0.00 -1.14 0.00 0.00 41.12 41.12 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 -0.05 0.02 -3.73 2.12 5.66 0.84 -4.98 114.28 114.16 1rir n THR 94 Ca 0.17 -0.01 -0.22 0.00 -3.05 0.00 0.00 64.05 60.94 1rir n THR 94 Cb 0.26 -0.57 -0.02 0.00 -1.55 0.00 0.00 70.33 68.46 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 4.15 3.46 -0.19 1.09 -1.52 -1.26 -5.05 119.66 120.34 1rir s GLN 95 Ca 1.10 -0.58 -0.29 0.00 -1.95 0.00 0.00 55.36 53.64 1rir s GLN 95 Cb -1.46 -2.80 0.00 0.00 -0.22 0.00 0.00 33.01 28.53 1rir s GLN 95 CO 0.75 0.32 1.01 -1.50 -0.25 0.00 0.00 175.29 175.62 1rir s ILE 96 N -2.10 4.73 0.99 1.08 2.07 -1.26 -4.99 121.20 121.72 1rir s ILE 96 Ca 0.36 1.99 -0.17 0.00 -1.41 0.00 0.00 60.65 61.43 1rir s ILE 96 Cb -0.09 -4.29 -0.08 0.00 0.13 0.00 0.00 42.46 38.12 1rir s ILE 96 CO 0.32 -0.11 -0.44 -2.65 -1.91 0.00 0.00 174.94 170.15 1rir n PRO 97 N 5.86 -0.19 -1.95 3.50 -0.02 -1.26 -4.85 135.00 136.09 1rir n PRO 97 Ca 0.10 -0.04 -0.42 0.00 -2.02 0.00 0.00 63.50 61.12 1rir n PRO 97 Cb 0.47 -1.32 -0.03 0.00 -0.02 0.00 0.00 33.50 32.61 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 -2.14 3.72 0.51 3.55 0.00 -1.26 -4.96 121.76 121.17 1rir s ALA 98 Ca 0.46 1.38 -0.23 0.00 0.00 0.00 0.00 51.96 53.57 1rir s ALA 98 Cb -0.16 -3.60 -0.06 0.00 0.00 0.00 0.00 23.12 19.30 1rir s ALA 98 CO 0.75 -0.79 1.38 0.20 0.00 0.00 0.00 175.76 177.31 1rir s GLY 99 N 0.78 2.90 0.40 0.00 0.00 -1.26 -4.93 107.32 105.20 1rir s GLY 99 Ca 0.65 1.38 0.05 0.00 0.00 0.00 0.00 44.72 46.81 1rir s GLY 99 CO 0.37 1.93 0.20 -0.56 0.00 0.00 0.00 173.10 175.04 1rir s SER 100 N -0.79 2.53 0.00 1.64 0.01 -1.26 -5.07 113.70 110.75 1rir s SER 100 Ca 0.68 -1.76 0.00 0.00 1.31 0.00 0.00 55.95 56.18 1rir s SER 100 Cb -0.42 0.60 0.00 0.00 0.21 0.00 0.00 66.02 66.42 1rir s SER 100 CO 0.51 -1.03 0.00 2.30 0.41 0.00 0.00 173.24 175.43 1rir n ILE 101 N -0.86 0.00 -0.04 1.44 -5.35 -1.26 -4.03 119.36 109.26 1rir n ILE 101 Ca -0.01 0.00 0.01 0.00 -0.27 0.00 0.00 62.75 62.47 1rir n ILE 101 Cb 0.64 -0.81 0.32 0.00 -1.74 0.00 0.00 39.64 38.04 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 0.66 -1.64 3.28 0.00 -1.93 -2.82 103.07 100.62 1rir h GLY 102 Ca 0.00 -0.32 -0.39 0.00 0.00 0.00 0.00 47.33 46.62 1rir h GLY 102 CO 0.00 0.31 -2.07 0.61 0.00 0.00 0.00 176.54 175.39 1rir n GLY 103 N -1.11 -2.47 2.48 4.60 0.00 -1.26 -4.67 105.19 102.75 1rir n GLY 103 Ca 0.03 -0.14 -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 2.73 1.79 0.21 -0.02 0.00 -1.26 -4.47 105.19 104.17 1rir n GLY 104 Ca -0.02 -0.74 0.11 0.00 0.00 0.00 0.00 46.02 45.37 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 0.07 -1.31 2.61 -2.24 -1.26 -4.88 114.28 108.03 1rir n THR 105 Ca 0.15 -0.13 -0.12 0.00 -2.27 0.00 0.00 64.05 61.68 1rir n THR 105 Cb 0.65 -0.04 -0.05 0.00 -2.10 0.00 0.00 70.33 68.79 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 -0.38 -0.80 -0.81 3.22 4.77 -1.26 -1.75 117.00 119.99 1rir n LEU 106 Ca 0.16 0.29 -0.09 0.00 -0.03 0.00 0.00 56.01 56.34 1rir n LEU 106 Cb 0.17 -1.98 -0.03 0.00 -2.33 0.00 0.00 43.42 39.26 1rir n LEU 106 CO 0.12 -0.69 -0.10 0.61 -1.33 0.00 0.00 177.39 176.01 1rir n GLY 107 N -0.16 0.73 0.00 -0.72 0.00 -1.24 -3.39 105.19 100.42 1rir n GLY 107 Ca -0.12 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.14 0.12 -4.13 1.61 0.24 -0.72 -4.32 118.33 107.98 1rir n VAL 108 Ca -0.10 -0.19 -0.12 0.00 -2.04 0.00 0.00 64.34 61.89 1rir n VAL 108 Cb 0.39 1.35 -0.07 0.00 -1.47 0.00 0.00 33.84 34.04 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 -0.12 0.37 0.88 -1.34 1.04 -1.24 -4.58 113.70 108.71 1rir s SER 109 Ca 0.00 -1.31 -0.07 0.00 0.48 0.00 0.00 55.95 55.05 1rir s SER 109 Cb 0.00 0.50 0.11 0.00 0.10 0.00 0.00 66.02 66.74 1rir s SER 109 CO 0.00 -1.02 0.68 -0.90 0.98 0.00 0.00 173.24 172.98 1rir n ASP 110 N -0.62 0.26 -0.07 7.02 5.68 -0.28 -4.60 116.55 123.93 1rir n ASP 110 Ca 0.01 -1.37 0.09 0.00 -0.50 0.00 0.00 54.79 53.03 1rir n ASP 110 Cb 0.64 -0.50 0.47 0.00 -1.14 0.00 0.00 41.12 40.58 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 -1.16 0.96 0.00 2.12 2.02 -1.92 -1.40 112.91 113.54 1rir h THR 111 Ca -0.22 -0.17 -0.10 0.00 0.77 0.00 0.00 66.41 66.69 1rir h THR 111 Cb 0.66 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1rir h THR 111 CO 0.18 0.09 -0.49 0.11 0.37 0.00 0.00 175.52 175.78 1rir h LYS 112 N 0.48 0.00 0.00 6.66 1.79 -2.00 -3.47 116.57 120.03 1rir h LYS 112 Ca 0.25 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 1rir h LYS 112 Cb 0.37 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 1rir h LYS 112 CO -0.07 0.49 0.00 0.41 -1.08 0.00 0.00 179.45 179.20 1rir n GLY 113 N 0.16 1.13 3.94 3.86 0.00 -0.53 -4.98 105.19 108.77 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 3.67 0.00 4.61 0.00 -1.26 -1.33 121.76 125.44 1rir s ALA 114 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1rir s ALA 114 Cb 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 20.95 1rir s ALA 114 CO 0.00 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.08 1rir n GLY 115 N -1.87 1.82 3.26 0.00 0.00 -1.11 -1.13 105.19 106.16 1rir n GLY 115 Ca -0.04 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 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 3.40 -0.00 1.61 2.46 -1.26 -4.13 115.29 115.36 1rir s HIS 116 Ca 0.00 -1.71 -0.30 0.00 0.47 0.00 0.00 55.06 53.53 1rir s HIS 116 Cb 0.00 -3.63 0.11 0.00 -0.13 0.00 0.00 32.58 28.93 1rir s HIS 116 CO 0.00 -1.00 1.26 -0.59 -2.47 0.00 0.00 174.74 171.95 1rir s PHE 117 N 1.26 -0.03 -0.04 3.88 -0.71 -1.26 -4.38 117.98 116.68 1rir s PHE 117 Ca 0.07 -0.09 -0.01 0.00 -1.04 0.00 0.00 56.93 55.85 1rir s PHE 117 Cb -0.26 0.56 0.03 0.00 -1.21 0.00 0.00 43.02 42.15 1rir s PHE 117 CO -0.00 -0.32 0.08 0.08 -1.34 0.00 0.00 175.22 173.71 1rir s VAL 118 N -2.41 -0.08 0.34 -2.49 1.01 -0.51 0.37 120.40 116.63 1rir s VAL 118 Ca 0.16 0.24 -0.16 0.00 0.00 0.00 0.00 61.98 62.22 1rir s VAL 118 Cb 0.04 -0.16 0.04 0.00 0.00 0.00 0.00 36.38 36.30 1rir s VAL 118 CO -0.03 0.10 0.73 -0.83 0.00 0.00 0.00 175.10 175.07 1rir s GLY 119 N 1.30 0.33 -0.18 4.51 0.00 -0.37 -0.03 107.32 112.89 1rir s GLY 119 Ca -0.07 -0.69 -0.03 0.00 0.00 0.00 0.00 44.72 43.94 1rir s GLY 119 CO -0.04 -0.32 -0.06 0.14 0.00 0.00 0.00 173.10 172.83 1rir s VAL 120 N -2.94 3.51 0.07 1.40 1.01 0.37 -0.32 120.40 123.50 1rir s VAL 120 Ca 0.16 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.71 1rir s VAL 120 Cb -0.05 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 1rir s VAL 120 CO 0.11 0.47 -0.02 -1.83 0.00 0.00 0.00 175.10 173.82 1rir s GLU 121 N 0.82 2.52 -0.60 2.72 -1.05 -0.69 -1.42 118.70 120.99 1rir s GLU 121 Ca -0.02 -0.82 0.06 0.00 -0.15 0.00 0.00 54.97 54.05 1rir s GLU 121 Cb -0.15 -2.52 0.26 0.00 -0.44 0.00 0.00 34.13 31.28 1rir s GLU 121 CO 0.01 0.56 0.75 1.19 0.95 0.00 0.00 175.26 178.72 1rir n PHE 122 N 0.83 3.24 -2.55 4.83 3.72 -0.89 -0.78 117.46 125.86 1rir n PHE 122 Ca -0.12 -4.08 -0.42 0.00 -0.05 0.00 0.00 57.45 52.78 1rir n PHE 122 Cb 0.52 -0.53 -0.03 0.00 -0.94 0.00 0.00 39.48 38.50 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 -2.46 7.20 -0.10 4.37 -1.08 -0.79 -3.15 116.67 120.66 1rir s ASP 123 Ca 0.40 1.83 0.14 0.00 -0.52 0.00 0.00 52.55 54.41 1rir s ASP 123 Cb 0.17 -2.57 0.30 0.00 -1.46 0.00 0.00 42.92 39.35 1rir s ASP 123 CO -0.04 -0.39 1.20 0.35 0.52 0.00 0.00 175.17 176.81 1rir n THR 124 N 4.00 1.73 -3.66 1.71 -2.24 -1.13 -1.64 114.28 113.05 1rir n THR 124 Ca 0.08 -1.80 -0.07 0.00 -2.27 0.00 0.00 64.05 59.99 1rir n THR 124 Cb 0.48 -0.03 -0.08 0.00 -2.10 0.00 0.00 70.33 68.61 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 -2.31 -0.94 0.17 4.78 6.14 -1.26 -4.74 117.35 119.19 1rir s TYR 125 Ca 0.28 1.77 -0.30 0.00 0.64 0.00 0.00 57.07 59.45 1rir s TYR 125 Cb 0.23 0.47 -0.07 0.00 0.42 0.00 0.00 41.96 43.00 1rir s TYR 125 CO 0.05 -0.51 1.06 0.45 0.64 0.00 0.00 175.55 177.24 1rir s SER 126 N 2.35 7.34 -0.27 4.32 0.15 -1.26 -5.01 113.70 121.32 1rir s SER 126 Ca -0.05 2.02 -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 61.68 1rir s SER 126 CO -0.15 -0.16 0.04 0.20 1.20 0.00 0.00 173.24 174.37 1rir s ASN 127 N -0.18 3.79 0.52 5.45 -0.87 -1.26 -4.98 114.94 117.41 1rir s ASN 127 Ca 0.48 -1.38 0.40 0.00 -1.57 0.00 0.00 52.86 50.79 1rir s ASN 127 Cb -0.28 -0.95 1.58 0.00 -0.02 0.00 0.00 41.25 41.58 1rir s ASN 127 CO 0.34 -0.34 1.67 0.77 -2.57 0.00 0.00 177.10 176.97 1rir h SER 128 N 8.05 0.08 0.10 -1.22 4.64 -1.95 0.13 113.55 123.38 1rir h SER 128 Ca -0.14 0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1rir h SER 128 Cb 1.05 0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1rir h SER 128 CO 0.43 -0.03 -0.01 1.05 -0.87 0.00 0.00 176.83 177.40 1rir h GLU 129 N 0.04 0.00 0.00 4.77 9.09 -1.97 -2.98 114.58 123.54 1rir h GLU 129 Ca 0.77 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.18 1rir h GLU 129 Cb 2.88 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.98 1rir h GLU 129 CO -0.11 0.01 -0.19 0.66 0.05 0.00 0.00 179.01 179.43 1rir n TYR 130 N -3.35 0.00 -1.01 2.06 4.01 0.45 -4.99 117.16 114.33 1rir n TYR 130 Ca -0.03 -0.57 -0.00 0.00 -0.16 0.00 0.00 57.90 57.14 1rir n TYR 130 Cb 0.10 -0.10 -0.00 0.00 -0.31 0.00 0.00 39.34 39.03 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 -0.82 -4.18 -4.72 7.72 4.13 -1.12 -4.26 115.26 112.01 1rir n ASN 131 Ca 0.09 0.01 -0.63 0.00 1.68 0.00 0.00 54.58 55.73 1rir n ASN 131 Cb 0.64 -1.70 -0.09 0.00 -1.54 0.00 0.00 39.78 37.10 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 -0.36 1.77 -4.41 6.41 9.92 -1.18 -4.87 116.55 123.82 1rir n ASP 132 Ca -0.00 1.11 -0.34 0.00 -0.53 0.00 0.00 54.79 55.03 1rir n ASP 132 Cb 0.20 -1.01 0.09 0.00 -0.64 0.00 0.00 41.12 39.77 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 4.81 -0.03 -0.35 -0.24 -0.02 -1.26 -4.52 135.00 133.39 1rir n PRO 133 Ca 0.30 0.04 0.28 0.00 -2.02 0.00 0.00 63.50 62.10 1rir n PRO 133 Cb 0.03 -1.80 0.54 0.00 -0.02 0.00 0.00 33.50 32.25 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 -1.04 0.18 0.00 0.52 0.13 -2.01 -3.43 132.00 126.36 1rir h PRO 134 Ca -0.44 -0.01 -0.31 0.00 -0.87 0.00 0.00 66.00 64.36 1rir h PRO 134 Cb 1.31 -0.04 -0.07 0.00 0.13 0.00 0.00 31.00 32.33 1rir h PRO 134 CO 0.37 0.12 -0.26 0.25 -0.23 0.00 0.00 178.00 178.25 1rir n THR 135 N -5.05 0.00 -1.50 1.56 -2.24 -1.26 -4.72 114.28 101.07 1rir n THR 135 Ca 0.34 -1.32 -0.46 0.00 -2.27 0.00 0.00 64.05 60.35 1rir n THR 135 Cb 1.15 0.46 -0.02 0.00 -2.10 0.00 0.00 70.33 69.81 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 -1.72 0.04 -3.80 3.42 9.92 -1.26 -4.87 116.55 118.28 1rir n ASP 136 Ca -0.04 1.15 -0.09 0.00 -0.53 0.00 0.00 54.79 55.28 1rir n ASP 136 Cb 0.34 -1.13 -0.04 0.00 -0.64 0.00 0.00 41.12 39.65 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 -1.04 -0.01 -0.12 1.24 -3.43 -0.65 -1.88 115.29 109.39 1rir s HIS 137 Ca 0.61 -0.34 0.01 0.00 -0.80 0.00 0.00 55.06 54.54 1rir s HIS 137 Cb -0.81 0.35 -0.01 0.00 -1.43 0.00 0.00 32.58 30.68 1rir s HIS 137 CO 0.58 -0.93 -0.17 0.08 -2.00 0.00 0.00 174.74 172.30 1rir s VAL 138 N -3.90 2.71 0.40 -5.38 1.01 -0.88 -1.89 120.40 112.47 1rir s VAL 138 Ca 0.12 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.35 1rir s VAL 138 Cb -0.01 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 1rir s VAL 138 CO -0.00 0.54 0.11 -0.83 0.00 0.00 0.00 175.10 174.91 1rir s GLY 139 N 0.33 2.55 -0.31 4.51 0.00 0.04 -1.91 107.32 112.53 1rir s GLY 139 Ca -0.13 -1.31 0.01 0.00 0.00 0.00 0.00 44.72 43.29 1rir s GLY 139 CO 0.07 -1.85 0.06 -0.42 0.00 0.00 0.00 173.10 170.96 1rir s ILE 140 N -3.20 1.41 0.06 0.90 -1.09 -0.76 -1.71 121.20 116.80 1rir s ILE 140 Ca 0.24 -1.68 -0.12 0.00 -2.23 0.00 0.00 60.65 56.86 1rir s ILE 140 Cb 0.03 -2.01 -0.06 0.00 -1.58 0.00 0.00 42.46 38.85 1rir s ILE 140 CO 0.14 -0.58 0.42 -1.81 -1.23 0.00 0.00 174.94 171.88 1rir s ASP 141 N 1.36 6.73 -0.28 3.58 1.11 0.56 -1.11 116.67 128.62 1rir s ASP 141 Ca 0.08 0.89 -0.04 0.00 0.18 0.00 0.00 52.55 53.67 1rir s ASP 141 Cb -0.18 -2.22 0.10 0.00 1.07 0.00 0.00 42.92 41.69 1rir s ASP 141 CO -0.17 0.22 0.15 -0.69 1.18 0.00 0.00 175.17 175.86 1rir s VAL 142 N -1.29 -0.11 -1.74 -1.27 1.01 -1.26 -1.23 120.40 114.51 1rir s VAL 142 Ca 0.30 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1rir s VAL 142 Cb -0.15 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.27 1rir s VAL 142 CO 0.16 -0.67 0.00 0.59 0.00 0.00 0.00 175.10 175.18 1rir n ASN 143 N 5.26 -4.85 -3.63 3.32 3.02 0.16 -4.92 115.26 113.61 1rir n ASN 143 Ca -0.06 0.41 -0.11 0.00 -0.03 0.00 0.00 54.58 54.79 1rir n ASN 143 Cb 0.43 -4.18 -0.07 0.00 -0.61 0.00 0.00 39.78 35.35 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 -2.46 -0.67 0.00 6.41 0.15 -1.26 -2.73 113.70 113.14 1rir s SER 144 Ca 0.00 1.23 0.21 0.00 0.70 0.00 0.00 55.95 58.10 1rir s SER 144 Cb 0.00 1.26 1.08 0.00 -1.71 0.00 0.00 66.02 66.64 1rir s SER 144 CO 0.00 -0.21 1.68 1.33 1.20 0.00 0.00 173.24 177.24 1rir n VAL 145 N 2.85 0.34 -2.85 4.45 0.24 -0.45 -4.12 118.33 118.79 1rir n VAL 145 Ca -0.15 0.08 -0.44 0.00 -2.04 0.00 0.00 64.34 61.80 1rir n VAL 145 Cb 0.56 -0.73 -0.01 0.00 -1.47 0.00 0.00 33.84 32.19 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 -2.56 6.92 0.14 -1.34 -1.08 -1.26 -4.96 116.67 112.53 1rir s ASP 146 Ca 0.20 -2.64 -0.23 0.00 -0.52 0.00 0.00 52.55 49.36 1rir s ASP 146 Cb 0.14 -2.45 -0.14 0.00 -1.46 0.00 0.00 42.92 39.02 1rir s ASP 146 CO 0.32 -0.93 0.45 -1.20 0.52 0.00 0.00 175.17 174.34 1rir n SER 147 N 6.52 -0.91 -0.08 -0.34 7.64 -1.26 -4.88 113.62 120.32 1rir n SER 147 Ca 0.37 0.90 -0.12 0.00 1.01 0.00 0.00 58.87 61.03 1rir n SER 147 Cb 0.45 -0.75 -0.05 0.00 -1.01 0.00 0.00 64.21 62.85 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 0.94 1.29 -3.97 0.44 2.07 -1.43 -3.45 116.25 112.14 1rir h VAL 148 Ca -0.24 -1.10 -0.22 0.00 0.82 0.00 0.00 66.70 65.96 1rir h VAL 148 Cb 1.14 1.55 -0.19 0.00 -1.52 0.00 0.00 31.29 32.28 1rir h VAL 148 CO 0.46 0.34 -0.71 -0.75 0.02 0.00 0.00 177.57 176.92 1rir s LYS 149 N -4.69 0.56 0.05 1.57 2.20 -1.24 -5.00 119.74 113.19 1rir s LYS 149 Ca -0.14 -0.91 -0.07 0.00 -0.36 0.00 0.00 55.97 54.50 1rir s LYS 149 Cb 0.07 -0.14 -0.01 0.00 -1.51 0.00 0.00 37.83 36.25 1rir s LYS 149 CO 0.76 -0.00 0.14 0.95 -0.36 0.00 0.00 175.35 176.83 1rir s THR 150 N -2.17 0.13 -0.00 3.43 -4.23 -1.26 -1.82 115.64 109.72 1rir s THR 150 Ca -0.05 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.38 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 0.00 174.62 173.98 1rir s VAL 151 N -2.89 0.11 0.16 2.29 0.11 -0.80 -5.00 120.40 114.38 1rir s VAL 151 Ca -0.03 -0.08 -0.31 0.00 -2.93 0.00 0.00 61.98 58.63 1rir s VAL 151 Cb 0.00 -0.10 -0.11 0.00 -1.53 0.00 0.00 36.38 34.64 1rir s VAL 151 CO -0.06 0.02 1.74 -2.84 -3.33 0.00 0.00 175.10 170.63 1rir s PRO 152 N -0.07 4.14 0.19 1.54 0.02 -1.26 -2.07 135.00 137.49 1rir s PRO 152 Ca 0.00 2.56 0.01 0.00 0.02 0.00 0.00 61.00 63.59 1rir s PRO 152 Cb -0.01 -3.32 -0.05 0.00 0.02 0.00 0.00 34.50 31.15 1rir s PRO 152 CO -0.00 -0.77 0.05 -0.46 -0.33 0.00 0.00 177.00 175.49 1rir s TRP 153 N 1.88 1.24 -0.12 6.54 -0.00 -0.79 -4.86 118.94 122.84 1rir s TRP 153 Ca 0.77 -1.14 -0.02 0.00 -0.00 0.00 0.00 56.10 55.71 1rir s TRP 153 Cb -0.47 -0.70 0.04 0.00 -0.00 0.00 0.00 33.47 32.34 1rir s TRP 153 CO 0.34 -0.34 0.03 1.21 -0.00 0.00 0.00 176.95 178.18 1rir s ASN 154 N -3.19 2.01 -0.02 5.86 2.47 -1.26 -4.09 114.94 116.72 1rir s ASN 154 Ca 0.29 -0.34 -0.27 0.00 0.42 0.00 0.00 52.86 52.97 1rir s ASN 154 Cb 0.07 -0.43 -0.04 0.00 -1.45 0.00 0.00 41.25 39.40 1rir s ASN 154 CO 0.07 -0.25 0.84 -0.55 -3.72 0.00 0.00 177.10 173.49 1rir s SER 155 N 1.98 7.20 -0.22 -4.21 0.15 -1.26 -5.04 113.70 112.29 1rir s SER 155 Ca 0.03 1.45 -0.02 0.00 0.70 0.00 0.00 55.95 58.11 1rir s SER 155 Cb -0.14 -2.49 0.01 0.00 -1.71 0.00 0.00 66.02 61.69 1rir s SER 155 CO -0.06 -0.15 -0.10 -0.69 1.20 0.00 0.00 173.24 173.44 1rir s VAL 156 N 0.73 2.79 0.25 4.45 1.01 -1.26 -5.09 120.40 123.28 1rir s VAL 156 Ca 0.44 -0.81 -0.31 0.00 0.00 0.00 0.00 61.98 61.30 1rir s VAL 156 Cb -0.20 -2.30 -0.14 0.00 0.00 0.00 0.00 36.38 33.75 1rir s VAL 156 CO 0.23 0.38 1.33 -0.24 0.00 0.00 0.00 175.10 176.81 1rir n SER 157 N 4.70 2.48 -0.33 3.32 2.88 -1.26 -1.76 113.62 123.65 1rir n SER 157 Ca -0.18 1.15 -0.04 0.00 -1.33 0.00 0.00 58.87 58.47 1rir n SER 157 Cb 0.49 -1.40 -0.02 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 1.87 0.60 3.76 0.46 0.00 -1.18 -4.94 105.19 105.76 1rir n GLY 158 Ca 0.11 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.79 3.60 -0.11 4.61 0.00 -0.72 -4.99 121.76 122.35 1rir s ALA 159 Ca 0.00 -0.71 -0.24 0.00 0.00 0.00 0.00 51.96 51.01 1rir s ALA 159 Cb 0.00 -1.82 -0.03 0.00 0.00 0.00 0.00 23.12 21.27 1rir s ALA 159 CO 0.00 0.50 0.73 0.08 0.00 0.00 0.00 175.76 177.07 1rir s VAL 160 N -0.63 5.00 -0.06 0.00 1.01 -1.26 -4.30 120.40 120.15 1rir s VAL 160 Ca 0.12 1.48 -0.00 0.00 0.00 0.00 0.00 61.98 63.57 1rir s VAL 160 Cb -0.12 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 1rir s VAL 160 CO 0.02 0.17 -0.03 -0.69 0.00 0.00 0.00 175.10 174.58 1rir s VAL 161 N 1.28 4.04 -0.11 2.92 1.01 0.11 -4.45 120.40 125.20 1rir s VAL 161 Ca 0.37 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 1rir s VAL 161 Cb -0.17 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 1rir s VAL 161 CO 0.16 0.56 -0.07 -0.54 0.00 0.00 0.00 175.10 175.22 1rir s LYS 162 N -0.97 3.23 -0.09 2.72 1.02 -1.09 -1.55 119.74 123.02 1rir s LYS 162 Ca 0.14 -0.56 -0.00 0.00 0.02 0.00 0.00 55.97 55.56 1rir s LYS 162 Cb -0.11 -2.73 0.02 0.00 -0.52 0.00 0.00 37.83 34.50 1rir s LYS 162 CO 0.03 0.41 -0.05 0.08 -0.92 0.00 0.00 175.35 174.90 1rir s VAL 163 N -0.13 0.78 -0.19 3.17 1.01 0.59 -0.72 120.40 124.90 1rir s VAL 163 Ca 0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 61.79 1rir s VAL 163 Cb -0.13 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.39 1rir s VAL 163 CO 0.03 0.32 -0.02 -0.89 0.00 0.00 0.00 175.10 174.54 1rir s THR 164 N 1.63 3.82 -0.06 3.92 2.01 -0.99 -0.54 115.64 125.42 1rir s THR 164 Ca 0.02 -0.36 0.04 0.00 0.31 0.00 0.00 61.69 61.70 1rir s THR 164 Cb -0.13 -2.72 -0.02 0.00 0.01 0.00 0.00 72.50 69.65 1rir s THR 164 CO -0.05 0.44 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.43 1rir s VAL 165 N 0.93 2.55 -0.02 3.82 1.01 0.22 -1.90 120.40 127.02 1rir s VAL 165 Ca 0.01 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.13 1rir s VAL 165 Cb -0.14 -1.98 -0.00 0.00 0.00 0.00 0.00 36.38 34.25 1rir s VAL 165 CO 0.02 0.57 -0.12 -0.63 0.00 0.00 0.00 175.10 174.93 1rir s ILE 166 N -0.30 1.01 -0.10 2.22 1.01 -0.71 -1.36 121.20 122.97 1rir s ILE 166 Ca 0.01 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.16 1rir s ILE 166 Cb -0.13 -0.86 0.02 0.00 0.01 0.00 0.00 42.46 41.50 1rir s ILE 166 CO 0.03 0.29 -0.11 -0.47 0.00 0.00 0.00 174.94 174.68 1rir s TYR 167 N -0.09 1.62 -0.20 3.97 5.04 -0.46 -0.56 117.35 126.68 1rir s TYR 167 Ca 0.01 -0.76 -0.20 0.00 -2.44 0.00 0.00 57.07 53.68 1rir s TYR 167 Cb -0.07 -1.25 -0.03 0.00 0.35 0.00 0.00 41.96 40.96 1rir s TYR 167 CO 0.00 -0.45 0.58 0.34 -1.34 0.00 0.00 175.55 174.69 1rir s ASP 168 N 1.25 6.64 0.19 4.32 2.15 -0.74 -2.76 116.67 127.71 1rir s ASP 168 Ca -0.03 0.77 -0.12 0.00 0.43 0.00 0.00 52.55 53.60 1rir s ASP 168 Cb -0.14 -2.33 0.19 0.00 -0.30 0.00 0.00 42.92 40.35 1rir s ASP 168 CO -0.04 -0.23 1.75 0.77 -0.17 0.00 0.00 175.17 177.25 1rir h SER 169 N 7.46 0.20 0.00 -0.34 4.64 -1.80 -1.56 113.55 122.15 1rir h SER 169 Ca -0.32 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1rir h SER 169 Cb 1.15 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1rir h SER 169 CO 0.76 0.14 0.00 -1.54 -0.87 0.00 0.00 176.83 175.32 1rir n SER 170 N -5.00 0.00 0.00 4.97 3.41 -1.26 -3.95 113.62 111.79 1rir n SER 170 Ca 0.06 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 1rir n SER 170 Cb 0.21 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 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 -1.65 1.18 -3.73 6.66 -2.24 -1.25 -4.78 114.28 108.47 1rir n THR 171 Ca 0.00 0.40 -0.29 0.00 -2.27 0.00 0.00 64.05 61.90 1rir n THR 171 Cb 0.00 -1.40 -0.01 0.00 -2.10 0.00 0.00 70.33 66.82 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 -1.27 -3.70 -3.62 -0.78 5.02 -0.59 -4.88 118.16 108.34 1rir n LYS 172 Ca 0.00 0.46 -0.38 0.00 -2.02 0.00 0.00 58.31 56.38 1rir n LYS 172 Cb 0.11 -5.21 -0.11 0.00 -0.02 0.00 0.00 35.03 29.79 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 -3.10 5.12 -0.32 -0.18 2.01 -1.22 -1.31 115.64 116.64 1rir s THR 173 Ca 0.56 0.11 -0.17 0.00 0.31 0.00 0.00 61.69 62.50 1rir s THR 173 Cb -0.30 -3.43 -0.01 0.00 0.01 0.00 0.00 72.50 68.77 1rir s THR 173 CO 0.69 0.27 0.44 -0.22 -0.69 0.00 0.00 174.62 175.10 1rir s LEU 174 N 1.73 4.29 -0.21 4.42 2.96 0.12 -1.80 118.68 130.19 1rir s LEU 174 Ca 0.07 0.01 0.01 0.00 -0.22 0.00 0.00 54.13 54.01 1rir s LEU 174 Cb -0.16 -2.48 0.04 0.00 0.50 0.00 0.00 46.19 44.09 1rir s LEU 174 CO 0.10 -0.36 -0.13 -0.44 -1.32 0.00 0.00 176.35 174.19 1rir s SER 175 N 1.71 3.56 0.16 3.68 0.01 0.27 -0.89 113.70 122.21 1rir s SER 175 Ca 0.16 -0.94 0.03 0.00 1.31 0.00 0.00 55.95 56.51 1rir s SER 175 Cb -0.16 -1.37 -0.03 0.00 0.21 0.00 0.00 66.02 64.66 1rir s SER 175 CO 0.12 -0.11 0.29 -0.69 0.41 0.00 0.00 173.24 173.26 1rir s VAL 176 N 1.30 5.31 -0.27 3.43 1.01 0.01 -1.74 120.40 129.46 1rir s VAL 176 Ca -0.01 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 1rir s VAL 176 Cb -0.16 -3.76 0.12 0.00 0.00 0.00 0.00 36.38 32.58 1rir s VAL 176 CO -0.09 -0.13 0.26 0.00 0.00 0.00 0.00 175.10 175.15 1rir s ALA 177 N -1.78 -0.34 -0.30 5.51 0.00 -0.80 -2.76 121.76 121.29 1rir s ALA 177 Ca 0.34 -0.18 -0.20 0.00 0.00 0.00 0.00 51.96 51.92 1rir s ALA 177 Cb -0.11 -1.63 -0.01 0.00 0.00 0.00 0.00 23.12 21.37 1rir s ALA 177 CO 0.29 -1.56 0.59 0.08 0.00 0.00 0.00 175.76 175.16 1rir s VAL 178 N 2.34 4.97 -0.29 0.00 1.01 0.37 -2.34 120.40 126.46 1rir s VAL 178 Ca 0.09 0.80 -0.11 0.00 0.00 0.00 0.00 61.98 62.76 1rir s VAL 178 Cb -0.15 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 1rir s VAL 178 CO -0.27 -0.11 0.20 -0.89 0.00 0.00 0.00 175.10 174.03 1rir s THR 179 N 2.52 5.30 0.75 3.92 2.01 0.10 -0.33 115.64 129.93 1rir s THR 179 Ca 0.24 0.14 -0.07 0.00 0.31 0.00 0.00 61.69 62.31 1rir s THR 179 Cb -0.15 -3.55 0.10 0.00 0.01 0.00 0.00 72.50 68.91 1rir s THR 179 CO 0.11 0.22 1.06 0.20 -0.69 0.00 0.00 174.62 175.53 1rir s ASN 180 N 1.75 4.39 0.10 3.53 0.01 -0.70 -2.67 114.94 121.35 1rir s ASN 180 Ca 0.07 0.22 -0.22 0.00 -0.71 0.00 0.00 52.86 52.23 1rir s ASN 180 Cb -0.16 -0.70 -0.12 0.00 0.41 0.00 0.00 41.25 40.69 1rir s ASN 180 CO 0.11 -1.87 1.72 -0.78 -1.51 0.00 0.00 177.10 174.77 1rir h ASP 181 N -0.77 0.12 0.13 -1.22 3.58 -1.88 -2.89 116.42 113.48 1rir h ASP 181 Ca -0.43 -0.05 -0.01 0.00 0.42 0.00 0.00 57.03 56.97 1rir h ASP 181 Cb 1.29 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 42.31 1rir h ASP 181 CO 0.51 0.13 -0.05 -0.55 -2.88 0.00 0.00 179.24 176.40 1rir h ASN 182 N 0.09 0.00 0.00 2.28 -0.00 -1.97 -3.47 115.58 112.52 1rir h ASN 182 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.33 1rir h ASN 182 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.36 1rir h ASN 182 CO -0.01 0.05 0.00 0.61 -0.00 0.00 0.00 177.43 178.08 1rir n GLY 183 N -1.10 3.96 3.41 9.14 0.00 -1.09 -5.12 105.19 114.40 1rir n GLY 183 Ca -0.03 -0.87 -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 -1.31 -4.41 1.61 9.92 -1.26 -4.46 116.55 116.63 1rir n ASP 184 Ca 0.00 0.93 -0.32 0.00 -0.53 0.00 0.00 54.79 54.87 1rir n ASP 184 Cb 0.00 -1.04 -0.14 0.00 -0.64 0.00 0.00 41.12 39.29 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 -1.44 2.67 -0.06 0.53 -4.36 -1.26 -1.72 121.20 115.56 1rir s ILE 185 Ca 0.62 -0.89 0.04 0.00 -0.26 0.00 0.00 60.65 60.16 1rir s ILE 185 Cb -0.66 -2.01 -0.02 0.00 1.25 0.00 0.00 42.46 41.02 1rir s ILE 185 CO 0.59 0.58 -0.16 -0.89 0.24 0.00 0.00 174.94 175.30 1rir s THR 186 N -0.70 2.89 0.00 8.37 2.01 0.55 -4.95 115.64 123.82 1rir s THR 186 Ca 0.11 -0.78 -0.03 0.00 0.31 0.00 0.00 61.69 61.30 1rir s THR 186 Cb -0.10 -2.13 -0.01 0.00 0.01 0.00 0.00 72.50 70.27 1rir s THR 186 CO 0.00 0.58 0.06 0.42 -0.69 0.00 0.00 174.62 174.99 1rir s THR 187 N -0.53 0.08 0.03 -0.82 -4.23 -1.26 0.14 115.64 109.05 1rir s THR 187 Ca 0.07 -0.65 -0.09 0.00 -1.18 0.00 0.00 61.69 59.84 1rir s THR 187 Cb -0.11 -0.30 0.00 0.00 1.34 0.00 0.00 72.50 73.43 1rir s THR 187 CO 0.01 -0.36 0.18 -0.51 -0.54 0.00 0.00 174.62 173.40 1rir s ILE 188 N -1.15 0.11 -0.00 2.99 2.07 -1.11 -5.01 121.20 119.09 1rir s ILE 188 Ca -0.12 -0.87 -0.16 0.00 -1.41 0.00 0.00 60.65 58.09 1rir s ILE 188 Cb -0.07 -0.83 0.03 0.00 0.13 0.00 0.00 42.46 41.71 1rir s ILE 188 CO 0.00 -0.48 0.33 0.00 -1.91 0.00 0.00 174.94 172.88 1rir s ALA 189 N -2.36 -0.82 -0.18 1.50 0.00 -1.26 -0.81 121.76 117.83 1rir s ALA 189 Ca -0.07 0.31 -0.28 0.00 0.00 0.00 0.00 51.96 51.93 1rir s ALA 189 Cb -0.02 0.13 0.08 0.00 0.00 0.00 0.00 23.12 23.31 1rir s ALA 189 CO -0.03 -0.30 0.78 -1.14 0.00 0.00 0.00 175.76 175.07 1rir s GLN 190 N -1.60 0.84 0.07 0.00 2.00 -0.07 -4.98 119.66 115.92 1rir s GLN 190 Ca -0.11 0.59 -0.27 0.00 -2.00 0.00 0.00 55.36 53.57 1rir s GLN 190 Cb -0.04 0.40 -0.06 0.00 0.80 0.00 0.00 33.01 34.12 1rir s GLN 190 CO 0.03 -0.19 0.83 0.08 -0.50 0.00 0.00 175.29 175.54 1rir s VAL 191 N -0.36 4.64 -0.23 1.34 1.01 -1.26 0.10 120.40 125.64 1rir s VAL 191 Ca -0.04 1.78 -0.03 0.00 0.00 0.00 0.00 61.98 63.69 1rir s VAL 191 Cb -0.03 -4.19 0.12 0.00 0.00 0.00 0.00 36.38 32.29 1rir s VAL 191 CO 0.03 0.35 0.33 -0.69 0.00 0.00 0.00 175.10 175.13 1rir s VAL 192 N -0.07 -0.52 -0.64 2.92 1.01 -0.43 -4.94 120.40 117.73 1rir s VAL 192 Ca 0.41 -0.08 -0.26 0.00 0.00 0.00 0.00 61.98 62.05 1rir s VAL 192 Cb -0.21 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 1rir s VAL 192 CO 0.25 -0.14 1.82 -0.62 0.00 0.00 0.00 175.10 176.41 1rir s ASP 193 N 2.48 5.33 0.38 3.32 -1.08 -1.26 -4.77 116.67 121.07 1rir s ASP 193 Ca 0.11 0.20 0.07 0.00 -0.52 0.00 0.00 52.55 52.40 1rir s ASP 193 Cb -0.15 -2.53 0.80 0.00 -1.46 0.00 0.00 42.92 39.57 1rir s ASP 193 CO -0.15 -2.36 1.99 -0.07 0.52 0.00 0.00 175.17 175.11 1rir h LEU 194 N 16.26 0.58 -0.24 -1.34 3.38 -1.96 0.24 115.31 132.24 1rir h LEU 194 Ca -0.23 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1rir h LEU 194 Cb 1.14 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1rir h LEU 194 CO 1.22 0.39 0.00 1.17 0.09 0.00 0.00 178.44 181.32 1rir n LYS 195 N -4.47 0.07 -0.09 1.13 4.81 -1.26 -1.27 118.16 117.07 1rir n LYS 195 Ca 0.08 0.30 -0.11 0.00 -0.87 0.00 0.00 58.31 57.72 1rir n LYS 195 Cb 0.19 -1.63 -0.15 0.00 0.02 0.00 0.00 35.03 33.45 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 -1.60 1.48 -0.03 3.14 0.00 0.78 -4.60 120.51 119.69 1rir n ALA 196 Ca 0.03 -1.23 0.04 0.00 0.00 0.00 0.00 53.44 52.28 1rir n ALA 196 Cb 0.20 -0.28 -0.14 0.00 0.00 0.00 0.00 19.45 19.23 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 -2.85 0.76 -4.39 0.00 4.76 -0.82 -5.00 118.16 110.62 1rir n LYS 197 Ca -0.32 -0.12 -0.28 0.00 -2.87 0.00 0.00 58.31 54.72 1rir n LYS 197 Cb 1.13 -1.44 -0.13 0.00 -1.84 0.00 0.00 35.03 32.75 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 -4.59 2.34 1.00 -0.35 1.43 -0.40 -4.90 118.68 113.21 1rir s LEU 198 Ca -0.07 -0.77 -0.12 0.00 -1.03 0.00 0.00 54.13 52.14 1rir s LEU 198 Cb 0.10 -1.17 0.19 0.00 0.03 0.00 0.00 46.19 45.33 1rir s LEU 198 CO 0.75 0.16 1.09 -2.16 0.23 0.00 0.00 176.35 176.42 1rir s PRO 199 N -2.16 0.39 0.18 1.29 0.04 -1.26 -4.66 135.00 128.82 1rir s PRO 199 Ca 0.14 0.52 -0.14 0.00 0.04 0.00 0.00 61.00 61.56 1rir s PRO 199 Cb -0.10 -1.73 0.17 0.00 0.04 0.00 0.00 34.50 32.88 1rir s PRO 199 CO 0.06 -2.76 1.68 0.93 0.04 0.00 0.00 177.00 176.95 1rir h GLU 200 N -1.91 0.09 -4.92 4.56 5.08 -1.96 -3.39 114.58 112.13 1rir h GLU 200 Ca -0.55 -0.01 -0.64 0.00 -1.00 0.00 0.00 59.36 57.17 1rir h GLU 200 Cb 1.33 -0.02 -0.17 0.00 0.50 0.00 0.00 28.75 30.39 1rir h GLU 200 CO 0.57 0.06 -0.52 1.03 -1.00 0.00 0.00 179.01 179.15 1rir s ARG 201 N -6.18 3.94 0.46 2.33 0.52 -1.26 -1.07 118.95 117.68 1rir s ARG 201 Ca -0.14 -0.33 0.02 0.00 -0.52 0.00 0.00 55.73 54.77 1rir s ARG 201 Cb 0.16 -3.63 -0.01 0.00 0.52 0.00 0.00 34.95 31.99 1rir s ARG 201 CO 0.72 -0.16 0.09 1.33 0.02 0.00 0.00 175.30 177.30 1rir n VAL 202 N 5.00 0.00 -4.26 3.52 0.24 -0.91 -2.32 118.33 119.60 1rir n VAL 202 Ca -0.14 -2.42 -0.17 0.00 -2.04 0.00 0.00 64.34 59.56 1rir n VAL 202 Cb 0.52 0.72 -0.13 0.00 -1.47 0.00 0.00 33.84 33.47 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 -3.69 0.71 -0.03 7.34 1.02 0.86 -1.42 119.74 124.53 1rir s LYS 203 Ca 0.13 -0.55 -0.00 0.00 0.02 0.00 0.00 55.97 55.56 1rir s LYS 203 Cb 0.01 -0.65 -0.04 0.00 -0.52 0.00 0.00 37.83 36.63 1rir s LYS 203 CO 0.09 0.16 0.02 -0.06 -0.92 0.00 0.00 175.35 174.64 1rir s PHE 204 N -0.69 3.16 -0.01 3.18 0.08 -1.26 -1.87 117.98 120.56 1rir s PHE 204 Ca -0.01 0.15 -0.20 0.00 0.12 0.00 0.00 56.93 57.00 1rir s PHE 204 Cb -0.06 -1.73 0.07 0.00 -0.57 0.00 0.00 43.02 40.73 1rir s PHE 204 CO 0.00 0.49 0.90 0.41 -0.10 0.00 0.00 175.22 176.93 1rir n GLY 205 N 1.57 0.35 3.21 4.36 0.00 -0.79 -1.21 105.19 112.68 1rir n GLY 205 Ca -0.15 -0.99 -0.26 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.36 1.74 0.16 1.61 0.08 -0.76 -0.49 117.98 117.97 1rir s PHE 206 Ca 0.21 -0.34 0.02 0.00 0.12 0.00 0.00 56.93 56.95 1rir s PHE 206 Cb -0.01 -1.11 -0.05 0.00 -0.57 0.00 0.00 43.02 41.29 1rir s PHE 206 CO -0.00 -0.01 -0.03 0.45 -0.10 0.00 0.00 175.22 175.53 1rir s SER 207 N -0.56 1.37 0.33 1.36 0.15 0.10 -1.06 113.70 115.38 1rir s SER 207 Ca 0.07 -1.13 -0.12 0.00 0.70 0.00 0.00 55.95 55.48 1rir s SER 207 Cb -0.08 0.08 0.02 0.00 -1.71 0.00 0.00 66.02 64.34 1rir s SER 207 CO -0.00 -0.51 0.62 0.00 1.20 0.00 0.00 173.24 174.55 1rir s ALA 208 N -3.57 -0.28 0.08 5.45 0.00 -0.33 -0.97 121.76 122.14 1rir s ALA 208 Ca 0.21 -0.92 -0.26 0.00 0.00 0.00 0.00 51.96 50.99 1rir s ALA 208 Cb 0.05 0.93 0.08 0.00 0.00 0.00 0.00 23.12 24.18 1rir s ALA 208 CO 0.03 -0.91 0.85 -1.54 0.00 0.00 0.00 175.76 174.19 1rir s SER 209 N -3.08 -0.34 0.26 0.00 1.04 -1.26 -2.90 113.70 107.43 1rir s SER 209 Ca 0.21 -0.15 0.03 0.00 0.48 0.00 0.00 55.95 56.52 1rir s SER 209 Cb -0.03 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.52 1rir s SER 209 CO 0.13 -0.80 0.21 -0.83 0.98 0.00 0.00 173.24 172.93 1rir s GLY 210 N -2.68 1.86 0.00 7.32 0.00 -0.56 -0.84 107.32 112.43 1rir s GLY 210 Ca 0.07 -1.87 0.00 0.00 0.00 0.00 0.00 44.72 42.91 1rir s GLY 210 CO -0.06 -1.42 0.00 -1.14 0.00 0.00 0.00 173.10 170.48 1rir n SER 211 N -0.90 1.27 -0.05 1.64 3.41 0.20 -3.89 113.62 115.31 1rir n SER 211 Ca 0.05 -0.93 -0.14 0.00 -0.26 0.00 0.00 58.87 57.58 1rir n SER 211 Cb 0.64 0.00 -0.08 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 0.00 1.04 6.46 -1.77 -3.30 115.31 118.23 1rir h LEU 212 Ca 0.00 -0.57 0.00 0.00 -0.12 0.00 0.00 57.88 57.19 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 0.97 -0.98 0.61 -0.62 0.00 0.00 178.44 178.43 1rir n GLY 213 N 0.48 -0.73 3.34 3.75 0.00 -1.26 -4.89 105.19 105.88 1rir n GLY 213 Ca -0.07 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.88 1.72 0.04 -0.02 0.00 -1.25 -2.31 107.32 102.61 1rir s GLY 214 Ca 0.05 -1.32 -0.17 0.00 0.00 0.00 0.00 44.72 43.28 1rir s GLY 214 CO 0.75 0.56 0.38 0.50 0.00 0.00 0.00 173.10 175.28 1rir s ARG 215 N 1.50 0.88 -0.06 2.90 0.52 0.59 0.61 118.95 125.88 1rir s ARG 215 Ca 0.04 -0.41 -0.32 0.00 -0.52 0.00 0.00 55.73 54.52 1rir s ARG 215 Cb -0.16 0.39 0.13 0.00 0.52 0.00 0.00 34.95 35.83 1rir s ARG 215 CO 0.00 -0.30 1.36 1.14 0.02 0.00 0.00 175.30 177.53 1rir s GLN 216 N -2.48 0.22 0.11 3.54 -2.07 -1.22 -4.09 119.66 113.66 1rir s GLN 216 Ca -0.05 -0.12 -0.20 0.00 -1.82 0.00 0.00 55.36 53.16 1rir s GLN 216 Cb -0.01 0.08 -0.07 0.00 -1.09 0.00 0.00 33.01 31.92 1rir s GLN 216 CO -0.03 -0.10 0.62 0.42 -1.32 0.00 0.00 175.29 174.89 1rir s ILE 217 N -2.24 4.65 -0.31 3.63 1.01 -0.87 -4.84 121.20 122.24 1rir s ILE 217 Ca 0.14 1.31 0.02 0.00 0.00 0.00 0.00 60.65 62.12 1rir s ILE 217 Cb 0.06 -3.94 0.09 0.00 0.01 0.00 0.00 42.46 38.68 1rir s ILE 217 CO -0.05 0.51 0.05 -1.00 0.00 0.00 0.00 174.94 174.45 1rir s HIS 218 N -1.16 2.77 -0.22 3.97 3.76 -1.26 -3.14 115.29 120.01 1rir s HIS 218 Ca 0.32 -2.33 -0.06 0.00 -0.15 0.00 0.00 55.06 52.83 1rir s HIS 218 Cb -0.20 -2.26 -0.03 0.00 1.11 0.00 0.00 32.58 31.21 1rir s HIS 218 CO 0.21 -0.90 0.04 -0.51 -0.85 0.00 0.00 174.74 172.73 1rir s LEU 219 N 1.25 3.42 -0.46 0.89 1.43 0.46 -0.79 118.68 124.88 1rir s LEU 219 Ca 0.08 -0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 52.87 1rir s LEU 219 Cb -0.18 -1.89 0.07 0.00 0.03 0.00 0.00 46.19 44.22 1rir s LEU 219 CO -0.14 0.03 0.37 -0.63 0.23 0.00 0.00 176.35 176.21 1rir s ILE 220 N 1.19 5.13 0.01 -0.59 -1.09 -0.36 -0.88 121.20 124.61 1rir s ILE 220 Ca 0.04 -1.06 -0.11 0.00 -2.23 0.00 0.00 60.65 57.29 1rir s ILE 220 Cb -0.14 -4.05 -0.32 0.00 -1.58 0.00 0.00 42.46 36.36 1rir s ILE 220 CO 0.03 -0.55 0.90 0.03 -1.23 0.00 0.00 174.94 174.12 1rir h ARG 221 N 8.71 0.41 -3.19 2.79 3.08 -1.43 -2.72 114.38 122.03 1rir h ARG 221 Ca -0.28 -0.71 -0.03 0.00 0.07 0.00 0.00 59.98 59.04 1rir h ARG 221 Cb 1.11 0.26 -0.12 0.00 0.08 0.00 0.00 29.97 31.30 1rir h ARG 221 CO 0.85 1.32 0.08 -1.54 -1.07 0.00 0.00 179.97 179.62 1rir s SER 222 N -7.34 -0.39 -0.24 7.04 1.04 -1.17 -4.36 113.70 108.27 1rir s SER 222 Ca -0.10 -0.21 -0.15 0.00 0.48 0.00 0.00 55.95 55.97 1rir s SER 222 Cb 0.05 0.56 0.07 0.00 0.10 0.00 0.00 66.02 66.80 1rir s SER 222 CO 0.90 -0.95 0.60 0.86 0.98 0.00 0.00 173.24 175.63 1rir s TRP 223 N -3.79 -0.87 -0.04 5.02 -0.00 -0.18 -1.81 118.94 117.26 1rir s TRP 223 Ca 0.03 1.82 0.00 0.00 -0.00 0.00 0.00 56.10 57.95 1rir s TRP 223 Cb -0.00 0.46 0.02 0.00 -0.00 0.00 0.00 33.47 33.95 1rir s TRP 223 CO -0.10 -0.44 -0.02 -1.54 -0.00 0.00 0.00 176.95 174.85 1rir s SER 224 N 1.31 0.83 0.04 5.86 1.04 -0.46 0.51 113.70 122.84 1rir s SER 224 Ca -0.08 -0.08 0.03 0.00 0.48 0.00 0.00 55.95 56.30 1rir s SER 224 Cb -0.06 -0.36 -0.02 0.00 0.10 0.00 0.00 66.02 65.69 1rir s SER 224 CO -0.14 -0.09 -0.09 0.12 0.98 0.00 0.00 173.24 174.02 1rir s PHE 225 N 1.11 0.77 -0.22 5.02 2.19 -1.06 -1.23 117.98 124.56 1rir s PHE 225 Ca -0.08 -0.42 -0.10 0.00 0.33 0.00 0.00 56.93 56.65 1rir s PHE 225 Cb -0.14 -0.46 0.08 0.00 -1.31 0.00 0.00 43.02 41.19 1rir s PHE 225 CO -0.01 -0.04 0.50 0.99 1.83 0.00 0.00 175.22 178.49 1rir s THR 226 N -1.14 -0.25 0.03 0.12 2.01 -0.90 -1.75 115.64 113.77 1rir s THR 226 Ca -0.06 0.08 0.05 0.00 0.31 0.00 0.00 61.69 62.06 1rir s THR 226 Cb -0.09 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.65 1rir s THR 226 CO 0.01 0.03 -0.14 -0.94 -0.69 0.00 0.00 174.62 172.89 1rir s SER 227 N 1.86 1.64 -0.07 3.53 1.04 -0.28 0.26 113.70 121.69 1rir s SER 227 Ca -0.08 -0.43 0.01 0.00 0.48 0.00 0.00 55.95 55.93 1rir s SER 227 Cb -0.09 -0.11 0.02 0.00 0.10 0.00 0.00 66.02 65.94 1rir s SER 227 CO -0.15 0.05 -0.06 -0.89 0.98 0.00 0.00 173.24 173.16 1rir s THR 228 N -0.79 0.76 -0.35 2.02 2.01 -0.21 -1.02 115.64 118.06 1rir s THR 228 Ca 0.02 -0.21 -0.04 0.00 0.31 0.00 0.00 61.69 61.77 1rir s THR 228 Cb -0.08 -0.77 0.06 0.00 0.01 0.00 0.00 72.50 71.73 1rir s THR 228 CO 0.01 0.29 0.10 -0.22 -0.69 0.00 0.00 174.62 174.11 1rir s LEU 229 N 1.15 4.43 0.14 4.42 2.96 0.22 -2.53 118.68 129.47 1rir s LEU 229 Ca -0.07 -1.42 -0.31 0.00 -0.22 0.00 0.00 54.13 52.12 1rir s LEU 229 Cb -0.14 -1.81 -0.09 0.00 0.50 0.00 0.00 46.19 44.65 1rir s LEU 229 CO -0.01 -0.37 1.42 -0.63 -1.32 0.00 0.00 176.35 175.44 1rir s ILE 230 N 1.29 3.11 -0.30 6.68 1.01 -1.26 -1.96 121.20 129.77 1rir s ILE 230 Ca -0.00 0.81 -0.01 0.00 0.00 0.00 0.00 60.65 61.45 1rir s ILE 230 Cb -0.21 -3.52 0.13 0.00 0.01 0.00 0.00 42.46 38.87 1rir s ILE 230 CO -0.00 0.07 0.26 0.42 0.00 0.00 0.00 174.94 175.69 1rir s THR 231 N 0.97 -0.29 0.00 2.92 -4.23 -1.26 -4.84 115.64 108.90 1rir s THR 231 Ca 0.65 -0.66 0.00 0.00 -1.18 0.00 0.00 61.69 60.50 1rir s THR 231 Cb -0.39 -0.96 0.00 0.00 1.34 0.00 0.00 72.50 72.49 1rir s THR 231 CO 0.32 -0.57 0.00 1.07 -0.54 0.00 0.00 174.62 174.90