#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 3.46 -0.03 0.00 2.12 -0.71 -4.93 118.70 118.62 1rir s GLU 2 Ca 0.00 -0.16 0.05 0.00 0.36 0.00 0.00 54.97 55.22 1rir s GLU 2 Cb 0.00 -3.89 -0.01 0.00 0.26 0.00 0.00 34.13 30.49 1rir s GLU 2 CO 0.00 -0.90 -0.17 0.99 -0.54 0.00 0.00 175.26 174.64 1rir s THR 3 N 2.82 1.37 -0.10 -1.70 2.01 -1.26 0.11 115.64 118.89 1rir s THR 3 Ca 0.24 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.55 1rir s THR 3 Cb -0.14 -1.16 -0.02 0.00 0.01 0.00 0.00 72.50 71.19 1rir s THR 3 CO 0.18 0.39 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.68 1rir s VAL 4 N -0.14 3.11 -0.26 3.82 1.01 0.11 -4.97 120.40 123.08 1rir s VAL 4 Ca 0.01 -0.67 -0.10 0.00 0.00 0.00 0.00 61.98 61.22 1rir s VAL 4 Cb -0.09 -2.27 0.11 0.00 0.00 0.00 0.00 36.38 34.12 1rir s VAL 4 CO 0.01 0.55 0.57 -0.94 0.00 0.00 0.00 175.10 175.29 1rir s SER 5 N -0.11 -0.82 0.36 3.32 1.04 -1.26 -0.69 113.70 115.53 1rir s SER 5 Ca -0.01 1.36 0.03 0.00 0.48 0.00 0.00 55.95 57.81 1rir s SER 5 Cb -0.14 1.85 -0.04 0.00 0.10 0.00 0.00 66.02 67.79 1rir s SER 5 CO 0.03 -0.22 0.09 0.72 0.98 0.00 0.00 173.24 174.84 1rir s PHE 6 N 2.62 1.85 -0.29 5.02 -0.12 -0.67 -5.01 117.98 121.38 1rir s PHE 6 Ca -0.05 -1.11 -0.13 0.00 -0.05 0.00 0.00 56.93 55.59 1rir s PHE 6 Cb -0.11 -1.21 0.11 0.00 -0.63 0.00 0.00 43.02 41.18 1rir s PHE 6 CO -0.17 -0.14 0.67 1.21 -0.05 0.00 0.00 175.22 176.74 1rir s ASN 7 N -3.53 -1.05 -0.19 1.98 2.47 -1.26 -2.50 114.94 110.86 1rir s ASN 7 Ca 0.31 1.54 0.01 0.00 0.42 0.00 0.00 52.86 55.14 1rir s ASN 7 Cb 0.06 1.90 0.03 0.00 -1.45 0.00 0.00 41.25 41.79 1rir s ASN 7 CO 0.15 -0.23 -0.15 -0.36 -3.72 0.00 0.00 177.10 172.79 1rir s PHE 8 N 2.34 2.60 -0.89 0.43 0.08 0.23 -4.95 117.98 117.82 1rir s PHE 8 Ca -0.08 -1.61 0.16 0.00 0.12 0.00 0.00 56.93 55.52 1rir s PHE 8 Cb -0.09 -1.77 -0.15 0.00 -0.57 0.00 0.00 43.02 40.44 1rir s PHE 8 CO -0.19 -0.77 0.72 0.09 -0.10 0.00 0.00 175.22 174.97 1rir n ASN 9 N 4.65 0.90 -3.88 1.36 3.02 -1.26 -0.76 115.26 119.29 1rir n ASN 9 Ca -0.17 -0.95 -0.09 0.00 -0.03 0.00 0.00 54.58 53.34 1rir n ASN 9 Cb 0.48 0.93 -0.04 0.00 -0.61 0.00 0.00 39.78 40.54 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 -2.47 -0.09 0.19 6.41 1.04 -1.26 -4.76 113.70 112.76 1rir s SER 10 Ca 0.07 -0.88 -0.00 0.00 0.48 0.00 0.00 55.95 55.62 1rir s SER 10 Cb 0.13 0.64 -0.04 0.00 0.10 0.00 0.00 66.02 66.85 1rir s SER 10 CO 0.64 -1.23 0.10 -0.36 0.98 0.00 0.00 173.24 173.37 1rir s PHE 11 N -3.87 1.16 -0.29 5.02 0.40 -0.55 -5.00 117.98 114.86 1rir s PHE 11 Ca 0.19 -1.28 -0.22 0.00 -0.60 0.00 0.00 56.93 55.03 1rir s PHE 11 Cb -0.02 -0.61 0.14 0.00 0.51 0.00 0.00 43.02 43.04 1rir s PHE 11 CO 0.09 -0.52 1.08 -1.54 0.70 0.00 0.00 175.22 175.02 1rir s SER 12 N -3.16 -0.40 0.94 1.36 1.04 -1.26 -4.08 113.70 108.13 1rir s SER 12 Ca 0.34 0.72 -0.11 0.00 0.48 0.00 0.00 55.95 57.38 1rir s SER 12 Cb 0.07 0.89 0.13 0.00 0.10 0.00 0.00 66.02 67.22 1rir s SER 12 CO 0.09 -0.12 0.99 -0.62 0.98 0.00 0.00 173.24 174.57 1rir n GLU 13 N 2.67 -0.52 -0.04 4.02 1.02 -1.26 -3.22 120.64 123.31 1rir n GLU 13 Ca -0.14 -0.09 0.00 0.00 -0.02 0.00 0.00 57.16 56.91 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 0.55 2.07 3.64 0.62 0.00 -1.26 -4.99 105.19 105.81 1rir n GLY 14 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.41 6.80 0.00 1.61 3.04 -1.20 -4.87 114.94 116.91 1rir s ASN 15 Ca 0.00 1.18 0.04 0.00 0.04 0.00 0.00 52.86 54.12 1rir s ASN 15 Cb 0.00 -2.54 0.19 0.00 -1.54 0.00 0.00 41.25 37.36 1rir s ASN 15 CO 0.00 -0.98 0.91 -0.81 -3.04 0.00 0.00 177.10 173.19 1rir n PRO 16 N 7.08 0.06 0.05 0.43 -0.04 -1.26 -2.16 135.00 139.16 1rir n PRO 16 Ca 0.14 0.22 0.13 0.00 -0.04 0.00 0.00 63.50 63.94 1rir n PRO 16 Cb 0.47 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.78 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 -1.25 2.70 -3.40 0.55 0.00 -1.26 -4.70 120.51 113.16 1rir n ALA 17 Ca 0.02 -0.16 -0.21 0.00 0.00 0.00 0.00 53.44 53.08 1rir n ALA 17 Cb 0.03 -1.32 -0.16 0.00 0.00 0.00 0.00 19.45 18.00 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 0.75 -0.22 0.00 1.01 -0.92 -0.23 121.20 118.51 1rir s ILE 18 Ca 0.10 -0.28 -0.08 0.00 0.00 0.00 0.00 60.65 60.39 1rir s ILE 18 Cb 0.15 -0.71 -0.04 0.00 0.01 0.00 0.00 42.46 41.87 1rir s ILE 18 CO 0.64 0.26 0.09 0.20 0.00 0.00 0.00 174.94 176.13 1rir s ASN 19 N 0.61 5.63 -0.41 3.58 0.02 0.16 -4.80 114.94 119.73 1rir s ASN 19 Ca -0.10 0.01 -0.14 0.00 -1.02 0.00 0.00 52.86 51.61 1rir s ASN 19 Cb -0.13 -1.99 0.03 0.00 0.02 0.00 0.00 41.25 39.18 1rir s ASN 19 CO 0.01 0.08 0.29 -0.36 0.02 0.00 0.00 177.10 177.14 1rir s PHE 20 N 0.94 3.25 -0.29 2.20 0.08 -1.26 -1.32 117.98 121.58 1rir s PHE 20 Ca 0.05 -0.78 -0.07 0.00 0.12 0.00 0.00 56.93 56.24 1rir s PHE 20 Cb -0.14 -2.65 -0.00 0.00 -0.57 0.00 0.00 43.02 39.66 1rir s PHE 20 CO 0.03 -0.65 0.09 -0.65 -0.10 0.00 0.00 175.22 173.94 1rir s GLN 21 N 1.63 3.26 0.00 0.44 -0.21 -0.94 -4.96 119.66 118.88 1rir s GLN 21 Ca 0.04 -0.75 0.00 0.00 0.02 0.00 0.00 55.36 54.67 1rir s GLN 21 Cb -0.20 -3.39 0.00 0.00 1.00 0.00 0.00 33.01 30.42 1rir s GLN 21 CO 0.08 -0.38 0.00 0.41 -2.12 0.00 0.00 175.29 173.28 1rir n GLY 22 N 4.90 -0.58 1.12 3.09 0.00 -1.26 0.24 105.19 112.70 1rir n GLY 22 Ca -0.15 -2.04 -0.01 0.00 0.00 0.00 0.00 46.02 43.81 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 3.30 -4.70 1.61 8.00 0.98 -4.88 116.55 120.85 1rir n ASP 23 Ca 0.00 -2.13 -0.42 0.00 0.71 0.00 0.00 54.79 52.95 1rir n ASP 23 Cb 0.00 -0.58 -0.03 0.00 -0.02 0.00 0.00 41.12 40.49 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 -0.20 3.95 -0.07 2.53 1.01 -1.24 -4.11 120.40 122.28 1rir s VAL 24 Ca 0.03 1.37 0.01 0.00 0.00 0.00 0.00 61.98 63.40 1rir s VAL 24 Cb 0.03 -3.88 0.02 0.00 0.00 0.00 0.00 36.38 32.55 1rir s VAL 24 CO 0.01 0.07 -0.08 0.28 0.00 0.00 0.00 175.10 175.37 1rir s THR 25 N 1.51 0.89 -0.20 3.92 -1.32 -0.09 -5.00 115.64 115.35 1rir s THR 25 Ca 0.60 -0.29 -0.22 0.00 -1.21 0.00 0.00 61.69 60.56 1rir s THR 25 Cb -0.30 -0.87 -0.02 0.00 -1.51 0.00 0.00 72.50 69.80 1rir s THR 25 CO 0.27 0.32 0.70 -0.69 -2.21 0.00 0.00 174.62 173.00 1rir s VAL 26 N 1.07 4.97 0.58 5.08 1.01 -1.26 -0.87 120.40 130.97 1rir s VAL 26 Ca -0.08 1.32 -0.15 0.00 0.00 0.00 0.00 61.98 63.08 1rir s VAL 26 Cb -0.14 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 1rir s VAL 26 CO -0.01 0.07 1.03 -0.76 0.00 0.00 0.00 175.10 175.43 1rir s LEU 27 N 2.09 3.47 0.00 3.92 1.43 0.77 -4.89 118.68 125.47 1rir s LEU 27 Ca 0.31 1.64 0.00 0.00 -1.03 0.00 0.00 54.13 55.05 1rir s LEU 27 Cb -0.16 -4.51 0.00 0.00 0.03 0.00 0.00 46.19 41.55 1rir s LEU 27 CO 0.10 -0.93 0.19 -1.54 0.23 0.00 0.00 176.35 174.40 1rir n SER 28 N -2.08 0.36 -1.11 2.29 3.41 -1.26 -1.84 113.62 113.39 1rir n SER 28 Ca 0.07 -0.73 0.04 0.00 -0.26 0.00 0.00 58.87 57.99 1rir n SER 28 Cb 0.54 -0.18 0.05 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 0.30 0.96 -1.38 4.04 6.94 -1.26 -4.99 115.26 119.87 1rir n ASN 29 Ca 0.00 -2.32 -0.16 0.00 -0.02 0.00 0.00 54.58 52.09 1rir n ASN 29 Cb 0.09 -0.32 -0.05 0.00 -2.36 0.00 0.00 39.78 37.14 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 0.08 1.00 3.57 4.83 0.00 -0.77 -4.89 105.19 109.02 1rir n GLY 30 Ca 0.07 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.67 4.52 -0.18 1.61 0.02 -1.25 -1.49 114.94 115.50 1rir s ASN 31 Ca 0.00 -0.14 -0.13 0.00 -1.02 0.00 0.00 52.86 51.57 1rir s ASN 31 Cb 0.00 -1.04 -0.05 0.00 0.02 0.00 0.00 41.25 40.18 1rir s ASN 31 CO 0.00 0.30 0.26 -0.63 0.02 0.00 0.00 177.10 177.05 1rir s ILE 32 N -0.93 5.32 -0.27 0.60 1.01 -1.00 -0.16 121.20 125.77 1rir s ILE 32 Ca 0.15 0.45 -0.06 0.00 0.00 0.00 0.00 60.65 61.20 1rir s ILE 32 Cb -0.11 -3.60 -0.00 0.00 0.01 0.00 0.00 42.46 38.76 1rir s ILE 32 CO 0.05 0.38 0.05 -1.58 0.00 0.00 0.00 174.94 173.84 1rir s GLN 33 N 0.61 3.26 0.12 2.79 0.74 -0.05 -1.36 119.66 125.77 1rir s GLN 33 Ca 0.14 -0.73 -0.07 0.00 0.05 0.00 0.00 55.36 54.75 1rir s GLN 33 Cb -0.13 -3.28 -0.10 0.00 1.10 0.00 0.00 33.01 30.60 1rir s GLN 33 CO 0.03 -0.34 1.31 -0.07 -0.55 0.00 0.00 175.29 175.67 1rir h LEU 34 N 8.20 0.67 -9.12 3.68 3.38 -1.33 -0.20 115.31 120.59 1rir h LEU 34 Ca -0.35 -0.50 -0.64 0.00 0.09 0.00 0.00 57.88 56.48 1rir h LEU 34 Cb 1.14 -0.20 -0.17 0.00 0.09 0.00 0.00 40.66 41.52 1rir h LEU 34 CO 0.60 1.29 -0.79 0.42 0.09 0.00 0.00 178.44 180.04 1rir s THR 35 N -3.43 2.52 -0.17 0.22 -4.23 -1.26 -3.49 115.64 105.79 1rir s THR 35 Ca -0.07 -2.06 -0.21 0.00 -1.18 0.00 0.00 61.69 58.18 1rir s THR 35 Cb 0.09 -2.24 -0.03 0.00 1.34 0.00 0.00 72.50 71.66 1rir s THR 35 CO 0.88 -0.18 0.61 0.21 -0.54 0.00 0.00 174.62 175.60 1rir s ASN 36 N -2.88 6.71 0.48 3.99 3.84 -1.26 -4.85 114.94 120.97 1rir s ASN 36 Ca 0.23 0.86 0.28 0.00 0.21 0.00 0.00 52.86 54.44 1rir s ASN 36 Cb -0.07 -2.34 0.97 0.00 -0.55 0.00 0.00 41.25 39.25 1rir s ASN 36 CO 0.12 -0.21 1.84 -0.07 -2.79 0.00 0.00 177.10 175.99 1rir h LEU 37 N 7.81 0.00 -3.20 3.21 4.07 -1.96 -3.22 115.31 122.01 1rir h LEU 37 Ca -0.34 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.62 1rir h LEU 37 Cb 1.16 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.90 1rir h LEU 37 CO 0.77 0.10 0.00 0.59 -1.08 0.00 0.00 178.44 178.81 1rir n ASN 38 N -3.19 5.07 -4.33 -0.43 3.02 -1.26 -4.94 115.26 109.19 1rir n ASN 38 Ca 0.01 -2.75 -0.24 0.00 -0.03 0.00 0.00 54.58 51.57 1rir n ASN 38 Cb 0.41 -0.65 -0.12 0.00 -0.61 0.00 0.00 39.78 38.81 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 -2.44 1.27 -0.07 3.52 1.02 -1.22 -5.11 119.74 116.72 1rir s LYS 39 Ca 0.48 -1.35 -0.17 0.00 0.02 0.00 0.00 55.97 54.96 1rir s LYS 39 Cb 0.36 -1.46 -0.05 0.00 -0.52 0.00 0.00 37.83 36.16 1rir s LYS 39 CO 0.16 0.32 0.44 0.08 -0.92 0.00 0.00 175.35 175.42 1rir s VAL 40 N -1.66 5.11 -1.29 3.17 1.01 -1.26 -3.99 120.40 121.48 1rir s VAL 40 Ca 0.13 0.89 -0.01 0.00 0.00 0.00 0.00 61.98 63.00 1rir s VAL 40 Cb -0.08 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.54 1rir s VAL 40 CO 0.06 0.44 0.12 -0.46 0.00 0.00 0.00 175.10 175.26 1rir n ASN 41 N 2.86 -4.75 -4.53 3.32 0.23 -1.24 -4.95 115.26 106.20 1rir n ASN 41 Ca -0.10 -0.07 -0.36 0.00 -0.53 0.00 0.00 54.58 53.52 1rir n ASN 41 Cb 0.52 -3.81 0.07 0.00 -2.08 0.00 0.00 39.78 34.47 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 -1.09 -0.43 -3.66 0.53 2.88 -1.25 -4.25 113.62 106.34 1rir n SER 42 Ca -0.16 0.66 -0.08 0.00 -1.33 0.00 0.00 58.87 57.96 1rir n SER 42 Cb 0.63 -1.29 -0.08 0.00 -0.75 0.00 0.00 64.21 62.72 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 -1.80 -0.12 -0.10 2.46 1.01 -1.26 -1.89 120.40 118.69 1rir s VAL 43 Ca 0.70 0.05 -0.09 0.00 0.00 0.00 0.00 61.98 62.63 1rir s VAL 43 Cb -0.37 -0.83 0.03 0.00 0.00 0.00 0.00 36.38 35.20 1rir s VAL 43 CO 0.54 0.02 0.26 -0.83 0.00 0.00 0.00 175.10 175.09 1rir s GLY 44 N 1.70 -0.19 0.07 4.51 0.00 -1.18 -0.02 107.32 112.22 1rir s GLY 44 Ca -0.09 0.78 0.03 0.00 0.00 0.00 0.00 44.72 45.44 1rir s GLY 44 CO -0.17 0.71 -0.09 0.50 0.00 0.00 0.00 173.10 174.06 1rir s ARG 45 N 0.27 0.71 -0.06 2.90 0.52 0.14 -1.04 118.95 122.39 1rir s ARG 45 Ca -0.01 -1.01 0.02 0.00 -0.52 0.00 0.00 55.73 54.21 1rir s ARG 45 Cb -0.03 -0.39 0.02 0.00 0.52 0.00 0.00 34.95 35.07 1rir s ARG 45 CO -0.01 0.06 -0.09 0.54 0.02 0.00 0.00 175.30 175.82 1rir s VAL 46 N -2.15 0.89 0.06 3.52 0.11 0.35 -2.22 120.40 120.96 1rir s VAL 46 Ca -0.00 -0.33 0.06 0.00 -2.93 0.00 0.00 61.98 58.77 1rir s VAL 46 Cb -0.05 -0.84 -0.03 0.00 -1.53 0.00 0.00 36.38 33.94 1rir s VAL 46 CO -0.01 0.30 -0.16 -0.76 -3.33 0.00 0.00 175.10 171.15 1rir s LEU 47 N 0.77 2.22 -0.30 2.54 1.43 -0.43 -1.32 118.68 123.59 1rir s LEU 47 Ca -0.13 -0.55 -0.29 0.00 -1.03 0.00 0.00 54.13 52.13 1rir s LEU 47 Cb -0.15 -0.64 -0.00 0.00 0.03 0.00 0.00 46.19 45.42 1rir s LEU 47 CO 0.02 0.01 1.35 -0.47 0.23 0.00 0.00 176.35 177.49 1rir s TYR 48 N -1.03 2.59 0.24 0.29 5.04 -0.12 -0.67 117.35 123.68 1rir s TYR 48 Ca 0.02 0.81 -0.13 0.00 -2.44 0.00 0.00 57.07 55.32 1rir s TYR 48 Cb -0.09 -3.95 0.30 0.00 0.35 0.00 0.00 41.96 38.57 1rir s TYR 48 CO 0.02 -1.89 1.47 0.00 -1.34 0.00 0.00 175.55 173.82 1rir n ALA 49 N 7.83 0.01 -1.77 3.97 0.00 0.68 -4.58 120.51 126.64 1rir n ALA 49 Ca 0.15 0.98 -0.40 0.00 0.00 0.00 0.00 53.44 54.18 1rir n ALA 49 Cb 0.47 -0.50 -0.06 0.00 0.00 0.00 0.00 19.45 19.36 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 -6.00 4.80 0.27 0.00 -2.45 -1.26 -4.99 119.30 109.67 1rir s MET 50 Ca -0.13 1.44 -0.29 0.00 -1.25 0.00 0.00 55.69 55.46 1rir s MET 50 Cb 0.22 -3.21 -0.09 0.00 1.25 0.00 0.00 34.83 32.99 1rir s MET 50 CO 0.70 0.49 1.00 -2.14 1.05 0.00 0.00 175.02 176.12 1rir s PRO 51 N -1.30 4.70 -0.15 4.11 0.02 -1.26 -4.81 135.00 136.31 1rir s PRO 51 Ca 0.42 1.59 -0.03 0.00 0.02 0.00 0.00 61.00 62.99 1rir s PRO 51 Cb -0.25 -3.14 -0.03 0.00 0.02 0.00 0.00 34.50 31.10 1rir s PRO 51 CO 0.30 0.34 -0.04 0.08 -0.33 0.00 0.00 177.00 177.35 1rir s VAL 52 N -1.25 3.85 -0.69 3.83 1.01 -0.51 -4.92 120.40 121.70 1rir s VAL 52 Ca 0.44 -0.38 -0.25 0.00 0.00 0.00 0.00 61.98 61.80 1rir s VAL 52 Cb -0.27 -2.68 0.05 0.00 0.00 0.00 0.00 36.38 33.48 1rir s VAL 52 CO 0.34 0.50 1.13 -0.60 0.00 0.00 0.00 175.10 176.46 1rir s ARG 53 N 0.32 3.17 0.25 2.72 3.52 -1.26 -2.02 118.95 125.64 1rir s ARG 53 Ca -0.04 -0.50 0.09 0.00 -0.13 0.00 0.00 55.73 55.15 1rir s ARG 53 Cb -0.14 -4.19 0.28 0.00 -1.56 0.00 0.00 34.95 29.33 1rir s ARG 53 CO 0.03 -1.97 1.57 -0.84 -0.81 0.00 0.00 175.30 173.28 1rir h ILE 54 N 6.01 1.45 -3.85 4.11 3.07 -1.42 -3.46 117.51 123.42 1rir h ILE 54 Ca -0.28 -2.20 -0.11 0.00 1.55 0.00 0.00 64.86 63.81 1rir h ILE 54 Cb 1.06 2.18 -0.16 0.00 -0.27 0.00 0.00 36.82 39.62 1rir h ILE 54 CO 1.23 0.63 -0.50 -1.66 -1.05 0.00 0.00 178.15 176.80 1rir s TRP 55 N -3.56 0.22 -0.20 0.16 1.48 -1.25 0.62 118.94 116.41 1rir s TRP 55 Ca -0.02 -0.58 -0.02 0.00 -1.06 0.00 0.00 56.10 54.41 1rir s TRP 55 Cb 0.12 -0.15 -0.00 0.00 -1.16 0.00 0.00 33.47 32.28 1rir s TRP 55 CO 0.78 -0.41 -0.09 0.45 -4.06 0.00 0.00 176.95 173.62 1rir s SER 56 N -2.40 4.01 0.21 -2.66 0.15 -0.90 -4.70 113.70 107.40 1rir s SER 56 Ca -0.01 -0.44 0.17 0.00 0.70 0.00 0.00 55.95 56.37 1rir s SER 56 Cb 0.02 -1.67 0.83 0.00 -1.71 0.00 0.00 66.02 63.49 1rir s SER 56 CO -0.07 0.01 1.52 -1.54 1.20 0.00 0.00 173.24 174.37 1rir n SER 57 N 4.59 0.42 -0.07 5.45 3.41 -1.26 0.77 113.62 126.93 1rir n SER 57 Ca -0.19 0.66 -0.07 0.00 -0.26 0.00 0.00 58.87 59.01 1rir n SER 57 Cb 0.51 -0.73 -0.03 0.00 -0.26 0.00 0.00 64.21 63.70 1rir n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rir h ALA 58 N 2.12 0.05 -0.07 7.33 0.00 -1.97 -3.40 119.26 123.33 1rir h ALA 58 Ca 0.00 -0.55 -0.22 0.00 0.00 0.00 0.00 54.91 54.14 1rir h ALA 58 Cb 0.12 0.45 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1rir h ALA 58 CO 0.00 0.45 -0.86 1.79 0.00 0.00 0.00 179.25 180.63 1rir h THR 59 N -1.00 1.33 0.00 0.00 1.35 -1.90 -3.47 112.91 109.23 1rir h THR 59 Ca -0.06 -2.19 0.00 0.00 -0.55 0.00 0.00 66.41 63.61 1rir h THR 59 Cb 0.58 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 69.20 1rir h THR 59 CO -0.04 0.67 0.00 0.61 -0.25 0.00 0.00 175.52 176.51 1rir n GLY 60 N 0.80 1.22 3.85 5.82 0.00 0.23 -5.03 105.19 112.09 1rir n GLY 60 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.00 5.95 -0.04 1.61 0.02 -1.25 -4.86 114.94 113.38 1rir s ASN 61 Ca 0.00 1.49 0.01 0.00 -1.02 0.00 0.00 52.86 53.34 1rir s ASN 61 Cb 0.00 -2.48 0.02 0.00 0.02 0.00 0.00 41.25 38.81 1rir s ASN 61 CO 0.00 -1.06 -0.06 -0.69 0.02 0.00 0.00 177.10 175.31 1rir s VAL 62 N -3.13 0.63 0.62 1.60 1.01 -1.26 -2.12 120.40 117.76 1rir s VAL 62 Ca 0.56 -0.21 -0.17 0.00 0.00 0.00 0.00 61.98 62.16 1rir s VAL 62 Cb -0.12 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.62 1rir s VAL 62 CO 0.54 0.23 1.16 0.00 0.00 0.00 0.00 175.10 177.04 1rir s ALA 63 N 0.68 2.48 0.16 5.51 0.00 0.20 -4.54 121.76 126.26 1rir s ALA 63 Ca -0.10 0.82 0.05 0.00 0.00 0.00 0.00 51.96 52.73 1rir s ALA 63 Cb -0.13 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 1rir s ALA 63 CO 0.01 -1.23 0.13 -1.12 0.00 0.00 0.00 175.76 173.55 1rir s SER 64 N -1.98 5.53 -0.02 0.00 0.01 -0.96 -4.41 113.70 111.87 1rir s SER 64 Ca 0.73 -0.12 -0.13 0.00 1.31 0.00 0.00 55.95 57.74 1rir s SER 64 Cb -0.26 -1.45 0.02 0.00 0.21 0.00 0.00 66.02 64.54 1rir s SER 64 CO 0.36 0.08 0.28 0.72 0.41 0.00 0.00 173.24 175.08 1rir s PHE 65 N -1.71 -0.15 -0.31 2.43 -0.12 -1.12 -0.78 117.98 116.22 1rir s PHE 65 Ca 0.31 0.24 0.01 0.00 -0.05 0.00 0.00 56.93 57.44 1rir s PHE 65 Cb -0.10 0.07 0.09 0.00 -0.63 0.00 0.00 43.02 42.45 1rir s PHE 65 CO 0.23 -0.35 0.05 -1.17 -0.05 0.00 0.00 175.22 173.94 1rir s LEU 66 N -1.20 3.20 -0.03 -1.99 2.96 0.85 -1.14 118.68 121.33 1rir s LEU 66 Ca -0.13 -1.73 0.06 0.00 -0.22 0.00 0.00 54.13 52.11 1rir s LEU 66 Cb -0.05 -1.19 -0.01 0.00 0.50 0.00 0.00 46.19 45.43 1rir s LEU 66 CO 0.03 -0.37 -0.21 0.28 -1.32 0.00 0.00 176.35 174.76 1rir s THR 67 N 1.32 1.69 0.01 3.68 -1.32 -0.43 -2.48 115.64 118.13 1rir s THR 67 Ca 0.07 -0.90 0.02 0.00 -1.21 0.00 0.00 61.69 59.67 1rir s THR 67 Cb -0.18 -1.42 -0.01 0.00 -1.51 0.00 0.00 72.50 69.38 1rir s THR 67 CO -0.15 0.48 -0.08 -0.94 -2.21 0.00 0.00 174.62 171.72 1rir s SER 68 N -0.38 0.87 0.16 8.08 1.04 -0.27 0.35 113.70 123.55 1rir s SER 68 Ca 0.05 -0.28 -0.13 0.00 0.48 0.00 0.00 55.95 56.06 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 0.00 -0.02 0.38 0.72 0.98 0.00 0.00 173.24 175.31 1rir s PHE 69 N -0.60 0.07 0.00 5.02 -0.12 0.03 -1.37 117.98 121.01 1rir s PHE 69 Ca -0.02 -0.43 0.03 0.00 -0.05 0.00 0.00 56.93 56.47 1rir s PHE 69 Cb -0.05 0.17 -0.01 0.00 -0.63 0.00 0.00 43.02 42.49 1rir s PHE 69 CO 0.00 -0.77 -0.10 -1.54 -0.05 0.00 0.00 175.22 172.76 1rir s SER 70 N -2.89 1.21 0.31 1.98 1.04 -0.82 -0.09 113.70 114.44 1rir s SER 70 Ca 0.10 -0.25 0.02 0.00 0.48 0.00 0.00 55.95 56.30 1rir s SER 70 Cb 0.02 -0.11 -0.02 0.00 0.10 0.00 0.00 66.02 66.00 1rir s SER 70 CO -0.04 0.08 0.31 0.72 0.98 0.00 0.00 173.24 175.29 1rir s PHE 71 N -0.42 1.39 -0.18 5.02 -0.12 -0.64 -0.80 117.98 122.21 1rir s PHE 71 Ca 0.02 -1.47 -0.16 0.00 -0.05 0.00 0.00 56.93 55.27 1rir s PHE 71 Cb -0.05 -0.47 0.05 0.00 -0.63 0.00 0.00 43.02 41.92 1rir s PHE 71 CO -0.00 -0.91 0.48 -2.00 -0.05 0.00 0.00 175.22 172.75 1rir s GLU 72 N -3.50 0.56 -0.29 1.99 2.12 0.25 -0.42 118.70 119.41 1rir s GLU 72 Ca 0.37 0.70 -0.00 0.00 0.36 0.00 0.00 54.97 56.39 1rir s GLU 72 Cb 0.02 0.25 0.09 0.00 0.26 0.00 0.00 34.13 34.75 1rir s GLU 72 CO 0.22 -0.08 0.06 -1.64 -0.54 0.00 0.00 175.26 173.29 1rir s MET 73 N 0.38 0.91 -0.08 4.30 -1.94 -1.26 -0.37 119.30 121.24 1rir s MET 73 Ca -0.01 -1.07 -0.09 0.00 -1.71 0.00 0.00 55.69 52.82 1rir s MET 73 Cb -0.04 -2.22 -0.04 0.00 2.01 0.00 0.00 34.83 34.53 1rir s MET 73 CO -0.01 -0.88 0.22 0.21 -0.01 0.00 0.00 175.02 174.54 1rir s LYS 74 N 1.54 3.57 0.81 2.03 2.20 -1.18 -2.88 119.74 125.83 1rir s LYS 74 Ca 0.06 0.00 -0.12 0.00 -0.36 0.00 0.00 55.97 55.56 1rir s LYS 74 Cb -0.18 -3.19 0.08 0.00 -1.51 0.00 0.00 37.83 33.04 1rir s LYS 74 CO -0.18 0.75 1.12 -0.51 -0.36 0.00 0.00 175.35 176.16 1rir s ASP 75 N -1.11 4.41 -0.06 1.43 1.01 -1.26 -1.96 116.67 119.14 1rir s ASP 75 Ca 0.18 1.09 -0.01 0.00 0.71 0.00 0.00 52.55 54.52 1rir s ASP 75 Cb -0.13 -1.75 0.03 0.00 1.01 0.00 0.00 42.92 42.07 1rir s ASP 75 CO 0.07 -2.00 0.01 0.27 0.21 0.00 0.00 175.17 173.74 1rir s ILE 76 N -3.30 0.27 -0.03 0.77 -4.36 -1.26 -4.86 121.20 108.43 1rir s ILE 76 Ca 0.61 0.16 -0.14 0.00 -0.26 0.00 0.00 60.65 61.02 1rir s ILE 76 Cb -0.13 -0.43 -0.07 0.00 1.25 0.00 0.00 42.46 43.08 1rir s ILE 76 CO 0.53 0.23 0.39 1.17 0.24 0.00 0.00 174.94 177.49 1rir n LYS 77 N 4.96 0.00 -3.44 0.37 4.81 -1.26 -2.48 118.16 121.13 1rir n LYS 77 Ca -0.10 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.15 1rir n LYS 77 Cb 0.50 -0.50 0.09 0.00 0.02 0.00 0.00 35.03 35.14 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 0.64 -3.19 -3.66 3.14 8.00 -1.26 -5.03 116.55 115.19 1rir n ASP 78 Ca 0.07 -0.58 -0.15 0.00 0.71 0.00 0.00 54.79 54.84 1rir n ASP 78 Cb 0.02 -4.99 -0.08 0.00 -0.02 0.00 0.00 41.12 36.05 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 -3.34 -0.53 -0.07 1.24 2.02 -1.03 -5.07 117.35 110.56 1rir s TYR 79 Ca 0.16 1.14 -0.29 0.00 -0.37 0.00 0.00 57.07 57.71 1rir s TYR 79 Cb -0.07 0.24 -0.02 0.00 -0.40 0.00 0.00 41.96 41.71 1rir s TYR 79 CO 0.71 -0.40 0.96 -0.51 -1.57 0.00 0.00 175.55 174.75 1rir s ASP 80 N -0.43 7.25 -0.30 2.29 1.11 -0.83 -4.72 116.67 121.03 1rir s ASP 80 Ca -0.06 1.53 -0.28 0.00 0.18 0.00 0.00 52.55 53.92 1rir s ASP 80 Cb -0.03 -2.54 -0.02 0.00 1.07 0.00 0.00 42.92 41.39 1rir s ASP 80 CO 0.04 -0.35 1.82 -2.84 1.18 0.00 0.00 175.17 175.02 1rir s PRO 81 N 1.56 3.38 0.11 8.23 0.02 -1.26 0.13 135.00 147.18 1rir s PRO 81 Ca 0.48 1.54 -0.26 0.00 0.02 0.00 0.00 61.00 62.78 1rir s PRO 81 Cb -0.19 -4.19 0.08 0.00 0.02 0.00 0.00 34.50 30.21 1rir s PRO 81 CO 0.21 -1.80 0.98 0.00 -0.33 0.00 0.00 177.00 176.07 1rir s ALA 82 N 6.78 -1.74 -0.20 -1.55 0.00 -1.26 -4.29 121.76 119.50 1rir s ALA 82 Ca 0.81 0.35 0.22 0.00 0.00 0.00 0.00 51.96 53.35 1rir s ALA 82 Cb -0.24 0.57 -0.11 0.00 0.00 0.00 0.00 23.12 23.33 1rir s ALA 82 CO 0.34 -0.98 0.85 -0.25 0.00 0.00 0.00 175.76 175.72 1rir n ASP 83 N -0.43 0.54 0.00 0.00 8.00 0.37 -3.36 116.55 121.66 1rir n ASP 83 Ca -0.07 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.60 1rir n ASP 83 Cb 0.61 1.01 0.00 0.00 -0.02 0.00 0.00 41.12 42.72 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 1.23 2.34 4.01 0.44 0.00 -1.26 -2.98 105.19 108.97 1rir n GLY 84 Ca -0.01 -2.13 -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 -1.82 2.89 -0.23 -0.61 1.01 -1.17 -4.13 121.20 117.14 1rir s ILE 85 Ca 0.00 -0.98 -0.13 0.00 0.00 0.00 0.00 60.65 59.54 1rir s ILE 85 Cb 0.00 -2.92 0.07 0.00 0.01 0.00 0.00 42.46 39.62 1rir s ILE 85 CO 0.00 0.00 0.56 -0.51 0.00 0.00 0.00 174.94 174.99 1rir s ILE 86 N -2.41 -0.01 -0.26 2.92 2.07 -0.23 -1.83 121.20 121.45 1rir s ILE 86 Ca 0.56 0.04 -0.11 0.00 -1.41 0.00 0.00 60.65 59.73 1rir s ILE 86 Cb -0.10 -0.81 -0.05 0.00 0.13 0.00 0.00 42.46 41.64 1rir s ILE 86 CO 0.34 0.02 0.18 0.12 -1.91 0.00 0.00 174.94 173.68 1rir s PHE 87 N 1.42 3.26 0.14 3.50 5.36 -0.54 -0.24 117.98 130.88 1rir s PHE 87 Ca -0.09 0.16 -0.01 0.00 -0.96 0.00 0.00 56.93 56.03 1rir s PHE 87 Cb -0.06 -2.33 -0.04 0.00 -0.34 0.00 0.00 43.02 40.24 1rir s PHE 87 CO -0.15 -0.07 0.06 -0.59 -1.46 0.00 0.00 175.22 173.02 1rir s PHE 88 N 1.46 0.88 -0.11 10.12 -0.71 0.46 -0.41 117.98 129.67 1rir s PHE 88 Ca 0.07 -1.24 0.02 0.00 -1.04 0.00 0.00 56.93 54.75 1rir s PHE 88 Cb -0.15 -0.48 0.01 0.00 -1.21 0.00 0.00 43.02 41.19 1rir s PHE 88 CO 0.08 -0.53 -0.18 0.42 -1.34 0.00 0.00 175.22 173.67 1rir s ILE 89 N -4.06 1.70 0.17 -4.49 1.01 0.61 -1.86 121.20 114.28 1rir s ILE 89 Ca 0.25 -0.78 -0.00 0.00 0.00 0.00 0.00 60.65 60.12 1rir s ILE 89 Cb 0.07 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 1rir s ILE 89 CO 0.02 0.48 0.07 0.00 0.00 0.00 0.00 174.94 175.51 1rir s ALA 90 N 0.77 1.12 0.40 9.38 0.00 -0.87 -1.27 121.76 131.29 1rir s ALA 90 Ca -0.10 -1.59 -0.27 0.00 0.00 0.00 0.00 51.96 50.00 1rir s ALA 90 Cb -0.16 0.95 -0.10 0.00 0.00 0.00 0.00 23.12 23.82 1rir s ALA 90 CO 0.01 -0.48 1.43 -2.14 0.00 0.00 0.00 175.76 174.59 1rir s PRO 91 N -4.05 3.97 0.57 0.00 0.02 -1.26 -0.32 135.00 133.93 1rir s PRO 91 Ca 0.29 2.45 0.36 0.00 0.02 0.00 0.00 61.00 64.12 1rir s PRO 91 Cb 0.07 -2.85 1.44 0.00 0.02 0.00 0.00 34.50 33.19 1rir s PRO 91 CO 0.06 -0.60 1.66 1.05 -0.33 0.00 0.00 177.00 178.84 1rir h GLU 92 N 2.77 0.00 -0.02 5.54 4.11 -1.75 0.23 114.58 125.46 1rir h GLU 92 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.92 1rir h GLU 92 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1rir h GLU 92 CO 0.63 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.31 1rir n ASP 93 N -3.83 0.92 -4.47 3.06 5.68 -1.26 -4.93 116.55 111.73 1rir n ASP 93 Ca 0.26 -1.32 -0.64 0.00 -0.50 0.00 0.00 54.79 52.59 1rir n ASP 93 Cb 1.37 -0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 41.25 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 -0.27 0.00 -3.58 2.12 5.66 0.80 -4.97 114.28 114.04 1rir n THR 94 Ca 0.21 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.94 1rir n THR 94 Cb 0.26 -0.49 -0.03 0.00 -1.55 0.00 0.00 70.33 68.52 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 4.02 3.54 -0.18 1.09 -1.52 -1.26 -5.05 119.66 120.30 1rir s GLN 95 Ca 1.08 -0.28 -0.29 0.00 -1.95 0.00 0.00 55.36 53.92 1rir s GLN 95 Cb -1.47 -2.77 -0.00 0.00 -0.22 0.00 0.00 33.01 28.55 1rir s GLN 95 CO 0.74 0.32 1.09 -1.50 -0.25 0.00 0.00 175.29 175.69 1rir s ILE 96 N -1.99 4.59 0.94 1.08 2.07 -1.26 -4.99 121.20 121.64 1rir s ILE 96 Ca 0.40 1.91 -0.15 0.00 -1.41 0.00 0.00 60.65 61.39 1rir s ILE 96 Cb -0.11 -4.23 -0.06 0.00 0.13 0.00 0.00 42.46 38.20 1rir s ILE 96 CO 0.30 -0.12 -0.15 -2.65 -1.91 0.00 0.00 174.94 170.42 1rir n PRO 97 N 5.99 -0.11 -1.79 3.50 -0.02 -1.26 -4.86 135.00 136.46 1rir n PRO 97 Ca 0.12 -0.01 -0.42 0.00 -2.02 0.00 0.00 63.50 61.17 1rir n PRO 97 Cb 0.46 -1.44 -0.03 0.00 -0.02 0.00 0.00 33.50 32.47 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 -2.17 3.90 0.55 3.55 0.00 -1.26 -4.95 121.76 121.38 1rir s ALA 98 Ca 0.50 1.53 -0.21 0.00 0.00 0.00 0.00 51.96 53.77 1rir s ALA 98 Cb -0.22 -3.68 -0.05 0.00 0.00 0.00 0.00 23.12 19.18 1rir s ALA 98 CO 0.74 -0.88 1.33 0.41 0.00 0.00 0.00 175.76 177.36 1rir n GLY 99 N 3.92 0.70 3.45 0.00 0.00 -1.26 -4.93 105.19 107.07 1rir n GLY 99 Ca 0.15 0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 1rir n GLY 99 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rir s SER 100 N -0.95 2.53 0.00 1.61 0.01 -1.26 -5.06 113.70 110.57 1rir s SER 100 Ca 0.72 -1.74 0.00 0.00 1.31 0.00 0.00 55.95 56.24 1rir s SER 100 Cb -0.42 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.40 1rir s SER 100 CO 0.49 -1.01 0.00 2.30 0.41 0.00 0.00 173.24 175.43 1rir n ILE 101 N -0.85 0.00 -0.10 1.44 -5.35 -1.26 -4.06 119.36 109.18 1rir n ILE 101 Ca -0.02 0.00 0.02 0.00 -0.27 0.00 0.00 62.75 62.49 1rir n ILE 101 Cb 0.64 -0.73 0.34 0.00 -1.74 0.00 0.00 39.64 38.15 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 0.81 -1.59 3.28 0.00 -1.93 -2.85 103.07 100.80 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 0.30 -1.84 0.61 0.00 0.00 0.00 176.54 175.60 1rir n GLY 103 N -1.45 -2.41 2.42 4.60 0.00 -1.26 -4.67 105.19 102.43 1rir n GLY 103 Ca 0.06 -0.18 -0.16 0.00 0.00 0.00 0.00 46.02 45.73 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 2.51 1.92 0.34 -0.02 0.00 -1.26 -4.48 105.19 104.20 1rir n GLY 104 Ca -0.01 -0.90 0.12 0.00 0.00 0.00 0.00 46.02 45.23 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 1.08 0.07 -1.28 2.61 -2.24 -1.26 -4.90 114.28 108.35 1rir n THR 105 Ca 0.16 -0.19 -0.12 0.00 -2.27 0.00 0.00 64.05 61.63 1rir n THR 105 Cb 0.61 0.15 -0.05 0.00 -2.10 0.00 0.00 70.33 68.94 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 -0.15 -0.74 -0.69 3.22 4.77 -1.26 -1.75 117.00 120.40 1rir n LEU 106 Ca 0.18 0.29 -0.07 0.00 -0.03 0.00 0.00 56.01 56.38 1rir n LEU 106 Cb 0.25 -2.05 -0.02 0.00 -2.33 0.00 0.00 43.42 39.28 1rir n LEU 106 CO 0.15 -0.72 -0.08 0.61 -1.33 0.00 0.00 177.39 176.01 1rir n GLY 107 N -0.11 0.55 0.00 -0.72 0.00 -1.24 -3.37 105.19 100.31 1rir n GLY 107 Ca -0.12 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.33 0.06 -4.13 1.61 0.24 -0.72 -4.32 118.33 107.75 1rir n VAL 108 Ca -0.08 -0.09 -0.13 0.00 -2.04 0.00 0.00 64.34 62.01 1rir n VAL 108 Cb 0.39 1.36 -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 -0.06 0.42 0.92 -1.34 1.04 -1.24 -4.57 113.70 108.87 1rir s SER 109 Ca 0.00 -1.32 -0.10 0.00 0.48 0.00 0.00 55.95 55.01 1rir s SER 109 Cb 0.00 0.52 0.16 0.00 0.10 0.00 0.00 66.02 66.80 1rir s SER 109 CO 0.00 -1.05 0.97 -0.90 0.98 0.00 0.00 173.24 173.24 1rir n ASP 110 N -0.69 0.30 -0.07 7.02 5.68 -0.32 -4.60 116.55 123.87 1rir n ASP 110 Ca 0.01 -1.49 0.11 0.00 -0.50 0.00 0.00 54.79 52.93 1rir n ASP 110 Cb 0.63 -0.72 0.50 0.00 -1.14 0.00 0.00 41.12 40.39 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 -1.35 0.91 0.00 2.12 2.02 -1.91 -0.94 112.91 113.76 1rir h THR 111 Ca -0.31 -0.14 -0.08 0.00 0.77 0.00 0.00 66.41 66.65 1rir h THR 111 Cb 0.92 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 1rir h THR 111 CO 0.24 0.07 -0.37 0.11 0.37 0.00 0.00 175.52 175.94 1rir h LYS 112 N 0.41 0.00 0.00 6.66 1.79 -2.00 -3.47 116.57 119.96 1rir h LYS 112 Ca 0.26 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 1rir h LYS 112 Cb 0.49 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1rir h LYS 112 CO -0.07 0.37 0.00 0.41 -1.08 0.00 0.00 179.45 179.08 1rir n GLY 113 N 0.30 1.07 3.94 3.86 0.00 -0.36 -4.99 105.19 109.02 1rir n GLY 113 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.49 121.76 125.30 1rir s ALA 114 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1rir s ALA 114 Cb 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 20.90 1rir s ALA 114 CO 0.00 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.81 1rir n GLY 115 N -2.10 2.11 3.25 0.00 0.00 -1.12 -1.17 105.19 106.16 1rir n GLY 115 Ca 0.01 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 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 -4.11 115.29 115.45 1rir s HIS 116 Ca 0.00 -1.78 -0.28 0.00 0.47 0.00 0.00 55.06 53.47 1rir s HIS 116 Cb 0.00 -3.63 0.10 0.00 -0.13 0.00 0.00 32.58 28.92 1rir s HIS 116 CO 0.00 -0.99 1.20 -0.59 -2.47 0.00 0.00 174.74 171.89 1rir s PHE 117 N 1.10 -0.05 -0.03 3.88 -0.71 -1.26 -4.37 117.98 116.55 1rir s PHE 117 Ca 0.08 -0.13 -0.01 0.00 -1.04 0.00 0.00 56.93 55.84 1rir s PHE 117 Cb -0.24 0.58 0.03 0.00 -1.21 0.00 0.00 43.02 42.18 1rir s PHE 117 CO -0.01 -0.44 0.04 0.08 -1.34 0.00 0.00 175.22 173.54 1rir s VAL 118 N -2.56 -0.05 0.29 -2.49 1.01 -0.40 0.15 120.40 116.36 1rir s VAL 118 Ca 0.16 0.29 -0.19 0.00 0.00 0.00 0.00 61.98 62.24 1rir s VAL 118 Cb 0.02 -0.13 0.02 0.00 0.00 0.00 0.00 36.38 36.30 1rir s VAL 118 CO -0.02 0.13 0.70 -0.83 0.00 0.00 0.00 175.10 175.08 1rir s GLY 119 N 1.52 0.09 -0.17 4.51 0.00 -0.31 -0.29 107.32 112.68 1rir s GLY 119 Ca -0.03 -0.48 -0.03 0.00 0.00 0.00 0.00 44.72 44.18 1rir s GLY 119 CO -0.03 -0.21 -0.06 0.14 0.00 0.00 0.00 173.10 172.94 1rir s VAL 120 N -3.65 3.52 0.11 1.40 1.01 0.45 -0.37 120.40 122.88 1rir s VAL 120 Ca 0.14 -0.48 0.06 0.00 0.00 0.00 0.00 61.98 61.70 1rir s VAL 120 Cb -0.05 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 1rir s VAL 120 CO 0.08 0.48 -0.05 -1.83 0.00 0.00 0.00 175.10 173.78 1rir s GLU 121 N 0.65 2.31 -0.60 2.72 -1.05 -0.61 -1.46 118.70 120.66 1rir s GLU 121 Ca -0.04 -0.97 0.06 0.00 -0.15 0.00 0.00 54.97 53.87 1rir s GLU 121 Cb -0.15 -2.39 0.25 0.00 -0.44 0.00 0.00 34.13 31.40 1rir s GLU 121 CO 0.02 0.51 0.72 1.19 0.95 0.00 0.00 175.26 178.65 1rir n PHE 122 N 0.53 3.02 -2.55 4.83 3.72 -0.76 -1.06 117.46 125.20 1rir n PHE 122 Ca -0.12 -4.06 -0.42 0.00 -0.05 0.00 0.00 57.45 52.80 1rir n PHE 122 Cb 0.53 -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 -2.31 7.17 -0.07 4.37 -1.08 -0.76 -3.06 116.67 120.93 1rir s ASP 123 Ca 0.39 1.79 0.11 0.00 -0.52 0.00 0.00 52.55 54.32 1rir s ASP 123 Cb 0.16 -2.57 0.26 0.00 -1.46 0.00 0.00 42.92 39.31 1rir s ASP 123 CO -0.03 -0.45 1.18 0.35 0.52 0.00 0.00 175.17 176.75 1rir n THR 124 N 4.22 1.52 -3.66 1.71 -2.24 -1.16 -1.45 114.28 113.22 1rir n THR 124 Ca 0.09 -1.54 -0.09 0.00 -2.27 0.00 0.00 64.05 60.24 1rir n THR 124 Cb 0.48 0.13 -0.10 0.00 -2.10 0.00 0.00 70.33 68.75 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 -1.91 -0.78 0.26 4.78 6.14 -1.26 -4.76 117.35 119.81 1rir s TYR 125 Ca 0.23 1.52 -0.29 0.00 0.64 0.00 0.00 57.07 59.16 1rir s TYR 125 Cb 0.18 0.32 -0.09 0.00 0.42 0.00 0.00 41.96 42.78 1rir s TYR 125 CO 0.06 -0.46 1.00 0.45 0.64 0.00 0.00 175.55 177.23 1rir s SER 126 N 2.38 7.48 -0.27 4.32 0.15 -1.26 -5.00 113.70 121.51 1rir s SER 126 Ca -0.03 2.05 -0.01 0.00 0.70 0.00 0.00 55.95 58.66 1rir s SER 126 Cb -0.11 -2.61 0.08 0.00 -1.71 0.00 0.00 66.02 61.67 1rir s SER 126 CO -0.13 0.03 0.06 0.20 1.20 0.00 0.00 173.24 174.60 1rir s ASN 127 N -1.11 3.69 0.51 5.45 -0.87 -1.26 -4.99 114.94 116.36 1rir s ASN 127 Ca 0.43 -1.35 0.37 0.00 -1.57 0.00 0.00 52.86 50.74 1rir s ASN 127 Cb -0.28 -0.82 1.53 0.00 -0.02 0.00 0.00 41.25 41.67 1rir s ASN 127 CO 0.34 -0.37 1.71 0.77 -2.57 0.00 0.00 177.10 176.99 1rir h SER 128 N 8.12 0.09 0.00 -1.22 4.64 -1.95 0.21 113.55 123.45 1rir h SER 128 Ca -0.15 0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1rir h SER 128 Cb 1.05 0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1rir h SER 128 CO 0.43 -0.02 -0.00 1.05 -0.87 0.00 0.00 176.83 177.41 1rir h GLU 129 N 0.06 0.00 0.00 4.77 9.09 -1.97 -2.96 114.58 123.57 1rir h GLU 129 Ca 0.71 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.12 1rir h GLU 129 Cb 2.64 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.74 1rir h GLU 129 CO -0.11 0.00 -0.13 0.66 0.05 0.00 0.00 179.01 179.48 1rir n TYR 130 N -3.73 0.00 -1.07 2.06 4.01 0.73 -4.99 117.16 114.18 1rir n TYR 130 Ca -0.03 -0.73 -0.03 0.00 -0.16 0.00 0.00 57.90 56.95 1rir n TYR 130 Cb 0.08 -0.12 -0.01 0.00 -0.31 0.00 0.00 39.34 38.98 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 -1.05 -4.38 -4.69 7.72 4.13 -1.12 -4.28 115.26 111.59 1rir n ASN 131 Ca 0.12 0.06 -0.60 0.00 1.68 0.00 0.00 54.58 55.84 1rir n ASN 131 Cb 0.65 -2.11 -0.08 0.00 -1.54 0.00 0.00 39.78 36.70 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 -0.27 1.71 -4.51 6.41 9.92 -1.17 -4.89 116.55 123.76 1rir n ASP 132 Ca -0.03 1.12 -0.34 0.00 -0.53 0.00 0.00 54.79 55.01 1rir n ASP 132 Cb 0.26 -1.05 0.10 0.00 -0.64 0.00 0.00 41.12 39.80 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 4.21 0.05 -0.35 -0.24 -0.02 -1.26 -4.56 135.00 132.84 1rir n PRO 133 Ca 0.26 0.07 0.33 0.00 -2.02 0.00 0.00 63.50 62.14 1rir n PRO 133 Cb 0.08 -2.00 0.60 0.00 -0.02 0.00 0.00 33.50 32.15 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 -0.94 0.03 0.00 0.52 0.13 -2.01 -3.43 132.00 126.29 1rir h PRO 134 Ca -0.45 -0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.34 1rir h PRO 134 Cb 1.31 -0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.36 1rir h PRO 134 CO 0.40 0.02 -0.28 0.25 -0.23 0.00 0.00 178.00 178.16 1rir n THR 135 N -5.13 0.00 -1.50 1.56 -2.24 -1.26 -4.72 114.28 100.99 1rir n THR 135 Ca 0.38 -1.44 -0.46 0.00 -2.27 0.00 0.00 64.05 60.25 1rir n THR 135 Cb 1.32 0.51 -0.02 0.00 -2.10 0.00 0.00 70.33 70.04 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 -1.71 0.11 -3.90 3.42 9.92 -1.26 -4.88 116.55 118.25 1rir n ASP 136 Ca -0.04 1.16 -0.09 0.00 -0.53 0.00 0.00 54.79 55.29 1rir n ASP 136 Cb 0.37 -1.13 -0.04 0.00 -0.64 0.00 0.00 41.12 39.68 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 -1.01 0.12 -0.08 1.24 -3.43 -0.53 -1.83 115.29 109.77 1rir s HIS 137 Ca 0.61 -0.50 0.05 0.00 -0.80 0.00 0.00 55.06 54.42 1rir s HIS 137 Cb -0.81 0.34 -0.00 0.00 -1.43 0.00 0.00 32.58 30.67 1rir s HIS 137 CO 0.58 -1.01 -0.23 0.08 -2.00 0.00 0.00 174.74 172.16 1rir s VAL 138 N -3.96 1.97 0.39 -5.38 1.01 -0.91 -1.83 120.40 111.69 1rir s VAL 138 Ca 0.16 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 61.19 1rir s VAL 138 Cb -0.02 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 1rir s VAL 138 CO 0.05 0.54 0.15 -0.83 0.00 0.00 0.00 175.10 175.01 1rir s GLY 139 N 0.18 2.50 -0.34 4.51 0.00 -0.22 -1.83 107.32 112.11 1rir s GLY 139 Ca -0.13 -1.42 0.02 0.00 0.00 0.00 0.00 44.72 43.19 1rir s GLY 139 CO 0.07 -1.76 0.09 -0.42 0.00 0.00 0.00 173.10 171.07 1rir s ILE 140 N -3.28 1.69 0.07 0.90 -1.09 -0.76 -1.57 121.20 117.14 1rir s ILE 140 Ca 0.27 -2.03 -0.19 0.00 -2.23 0.00 0.00 60.65 56.47 1rir s ILE 140 Cb 0.03 -2.25 -0.07 0.00 -1.58 0.00 0.00 42.46 38.60 1rir s ILE 140 CO 0.16 -0.66 0.56 -1.81 -1.23 0.00 0.00 174.94 171.97 1rir s ASP 141 N 1.10 7.05 -0.33 3.58 1.11 0.51 -1.18 116.67 128.50 1rir s ASP 141 Ca 0.11 1.24 -0.01 0.00 0.18 0.00 0.00 52.55 54.07 1rir s ASP 141 Cb -0.19 -2.35 0.12 0.00 1.07 0.00 0.00 42.92 41.56 1rir s ASP 141 CO -0.14 0.27 0.16 -0.69 1.18 0.00 0.00 175.17 175.95 1rir s VAL 142 N -1.07 0.46 -2.08 -1.27 1.01 -1.26 -1.16 120.40 115.03 1rir s VAL 142 Ca 0.29 -1.44 0.00 0.00 0.00 0.00 0.00 61.98 60.82 1rir s VAL 142 Cb -0.19 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.83 1rir s VAL 142 CO 0.19 -0.81 0.00 0.59 0.00 0.00 0.00 175.10 175.07 1rir n ASN 143 N 4.58 -5.44 -3.64 3.32 3.02 0.12 -4.93 115.26 112.29 1rir n ASN 143 Ca 0.02 0.49 -0.07 0.00 -0.03 0.00 0.00 54.58 54.98 1rir n ASN 143 Cb 0.40 -4.66 -0.07 0.00 -0.61 0.00 0.00 39.78 34.83 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 -2.77 -0.71 0.00 6.41 0.15 -1.26 -2.80 113.70 112.72 1rir s SER 144 Ca 0.00 1.21 0.15 0.00 0.70 0.00 0.00 55.95 58.01 1rir s SER 144 Cb 0.00 1.27 0.76 0.00 -1.71 0.00 0.00 66.02 66.34 1rir s SER 144 CO 0.00 -0.20 1.40 1.33 1.20 0.00 0.00 173.24 176.97 1rir n VAL 145 N 3.52 0.53 -2.91 4.45 0.24 -0.55 -4.03 118.33 119.57 1rir n VAL 145 Ca -0.17 0.13 -0.44 0.00 -2.04 0.00 0.00 64.34 61.82 1rir n VAL 145 Cb 0.57 -0.89 -0.00 0.00 -1.47 0.00 0.00 33.84 32.05 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 -2.51 7.05 0.12 -1.34 -1.08 -1.26 -4.94 116.67 112.71 1rir s ASP 146 Ca 0.15 -2.95 -0.21 0.00 -0.52 0.00 0.00 52.55 49.02 1rir s ASP 146 Cb 0.10 -2.42 -0.12 0.00 -1.46 0.00 0.00 42.92 39.02 1rir s ASP 146 CO 0.22 -0.78 0.42 -1.20 0.52 0.00 0.00 175.17 174.35 1rir n SER 147 N 5.89 -0.76 -0.07 -0.34 7.64 -1.26 -4.89 113.62 119.82 1rir n SER 147 Ca 0.38 0.80 -0.12 0.00 1.01 0.00 0.00 58.87 60.94 1rir n SER 147 Cb 0.43 -0.67 -0.05 0.00 -1.01 0.00 0.00 64.21 62.91 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 0.90 1.31 -3.97 0.44 2.07 -1.46 -3.45 116.25 112.09 1rir h VAL 148 Ca -0.22 -1.21 -0.25 0.00 0.82 0.00 0.00 66.70 65.84 1rir h VAL 148 Cb 1.02 1.63 -0.21 0.00 -1.52 0.00 0.00 31.29 32.21 1rir h VAL 148 CO 0.41 0.37 -0.73 -0.75 0.02 0.00 0.00 177.57 176.89 1rir s LYS 149 N -4.54 0.50 0.05 1.57 2.20 -1.24 -5.02 119.74 113.25 1rir s LYS 149 Ca -0.14 -0.76 -0.06 0.00 -0.36 0.00 0.00 55.97 54.66 1rir s LYS 149 Cb 0.07 -0.20 -0.01 0.00 -1.51 0.00 0.00 37.83 36.17 1rir s LYS 149 CO 0.77 0.03 0.11 0.95 -0.36 0.00 0.00 175.35 176.84 1rir s THR 150 N -1.51 0.14 -0.00 3.43 -4.23 -1.26 -1.83 115.64 110.37 1rir s THR 150 Ca -0.10 -1.15 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 1rir s THR 150 Cb -0.09 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.74 1rir s THR 150 CO -0.00 -0.63 -0.00 0.54 -0.54 0.00 0.00 174.62 173.98 1rir s VAL 151 N -2.87 0.02 0.15 2.29 0.11 -0.76 -4.99 120.40 114.35 1rir s VAL 151 Ca -0.03 -0.01 -0.32 0.00 -2.93 0.00 0.00 61.98 58.70 1rir s VAL 151 Cb 0.00 -0.03 -0.11 0.00 -1.53 0.00 0.00 36.38 34.71 1rir s VAL 151 CO -0.06 0.01 1.79 -2.65 -3.33 0.00 0.00 175.10 170.86 1rir n PRO 152 N 3.10 2.76 -4.26 1.54 -0.02 -1.26 -2.13 135.00 134.72 1rir n PRO 152 Ca -0.12 1.00 -0.14 0.00 -2.02 0.00 0.00 63.50 62.21 1rir n PRO 152 Cb 0.60 -2.87 -0.10 0.00 -0.02 0.00 0.00 33.50 31.10 1rir n PRO 152 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1rir s TRP 153 N 2.10 1.34 -0.10 6.00 -0.00 -0.76 -4.86 118.94 122.66 1rir s TRP 153 Ca 0.79 -1.19 -0.03 0.00 -0.00 0.00 0.00 56.10 55.68 1rir s TRP 153 Cb -0.50 -0.75 0.04 0.00 -0.00 0.00 0.00 33.47 32.26 1rir s TRP 153 CO 0.36 -0.39 0.05 1.21 -0.00 0.00 0.00 176.95 178.17 1rir s ASN 154 N -3.23 1.78 -0.08 5.86 2.47 -1.26 -4.11 114.94 116.36 1rir s ASN 154 Ca 0.34 -0.25 -0.24 0.00 0.42 0.00 0.00 52.86 53.13 1rir s ASN 154 Cb 0.07 -0.32 -0.03 0.00 -1.45 0.00 0.00 41.25 39.53 1rir s ASN 154 CO 0.10 -0.26 0.76 -0.55 -3.72 0.00 0.00 177.10 173.43 1rir s SER 155 N 2.06 7.02 -0.21 -4.21 0.15 -1.26 -5.04 113.70 112.21 1rir s SER 155 Ca 0.04 1.23 -0.02 0.00 0.70 0.00 0.00 55.95 57.89 1rir s SER 155 Cb -0.14 -2.44 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1rir s SER 155 CO -0.06 -0.19 -0.10 -0.69 1.20 0.00 0.00 173.24 173.40 1rir s VAL 156 N 1.12 2.91 0.24 4.45 1.01 -1.26 -5.09 120.40 123.79 1rir s VAL 156 Ca 0.39 -0.65 -0.31 0.00 0.00 0.00 0.00 61.98 61.41 1rir s VAL 156 Cb -0.18 -2.30 -0.13 0.00 0.00 0.00 0.00 36.38 33.78 1rir s VAL 156 CO 0.18 0.46 1.50 -0.24 0.00 0.00 0.00 175.10 177.00 1rir n SER 157 N 4.74 3.17 -0.29 3.32 2.88 -1.26 -1.98 113.62 124.20 1rir n SER 157 Ca -0.19 1.13 -0.04 0.00 -1.33 0.00 0.00 58.87 58.44 1rir n SER 157 Cb 0.51 -1.48 -0.02 0.00 -0.75 0.00 0.00 64.21 62.47 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 2.43 0.62 3.72 0.46 0.00 -1.14 -4.94 105.19 106.34 1rir n GLY 158 Ca 0.12 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.89 3.49 -0.11 4.61 0.00 -0.84 -4.99 121.76 122.03 1rir s ALA 159 Ca 0.00 -0.74 -0.25 0.00 0.00 0.00 0.00 51.96 50.97 1rir s ALA 159 Cb 0.00 -1.79 -0.02 0.00 0.00 0.00 0.00 23.12 21.31 1rir s ALA 159 CO 0.00 0.43 0.80 0.08 0.00 0.00 0.00 175.76 177.07 1rir s VAL 160 N -0.42 4.94 -0.06 0.00 1.01 -1.26 -4.29 120.40 120.32 1rir s VAL 160 Ca 0.10 1.61 0.01 0.00 0.00 0.00 0.00 61.98 63.69 1rir s VAL 160 Cb -0.12 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 1rir s VAL 160 CO 0.02 0.13 -0.07 -0.69 0.00 0.00 0.00 175.10 174.49 1rir s VAL 161 N 1.50 3.72 -0.12 2.92 1.01 0.44 -4.44 120.40 125.44 1rir s VAL 161 Ca 0.40 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 1rir s VAL 161 Cb -0.18 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 1rir s VAL 161 CO 0.16 0.57 -0.05 -0.54 0.00 0.00 0.00 175.10 175.24 1rir s LYS 162 N -0.90 3.28 -0.08 2.72 1.02 -1.06 -1.63 119.74 123.10 1rir s LYS 162 Ca 0.13 -0.53 0.00 0.00 0.02 0.00 0.00 55.97 55.60 1rir s LYS 162 Cb -0.11 -2.78 0.02 0.00 -0.52 0.00 0.00 37.83 34.45 1rir s LYS 162 CO 0.02 0.43 -0.06 0.08 -0.92 0.00 0.00 175.35 174.90 1rir s VAL 163 N -0.15 0.79 -0.18 3.17 1.01 0.87 -0.74 120.40 125.19 1rir s VAL 163 Ca 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 1rir s VAL 163 Cb -0.13 -0.82 -0.00 0.00 0.00 0.00 0.00 36.38 35.43 1rir s VAL 163 CO 0.03 0.31 -0.12 -0.89 0.00 0.00 0.00 175.10 174.43 1rir s THR 164 N 1.31 2.90 -0.07 3.92 2.01 -0.88 -0.79 115.64 124.04 1rir s THR 164 Ca -0.04 -0.68 0.03 0.00 0.31 0.00 0.00 61.69 61.32 1rir s THR 164 Cb -0.14 -2.26 -0.02 0.00 0.01 0.00 0.00 72.50 70.09 1rir s THR 164 CO -0.03 0.49 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.54 1rir s VAL 165 N 1.04 2.88 -0.03 3.82 1.01 0.16 -1.54 120.40 127.73 1rir s VAL 165 Ca -0.01 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.23 1rir s VAL 165 Cb -0.15 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.10 1rir s VAL 165 CO -0.02 0.57 -0.08 -0.63 0.00 0.00 0.00 175.10 174.93 1rir s ILE 166 N -0.32 0.73 -0.12 2.22 1.01 -0.61 -1.31 121.20 122.79 1rir s ILE 166 Ca 0.03 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.38 1rir s ILE 166 Cb -0.13 -0.67 0.02 0.00 0.01 0.00 0.00 42.46 41.69 1rir s ILE 166 CO 0.02 0.24 -0.15 -0.47 0.00 0.00 0.00 174.94 174.58 1rir s TYR 167 N 0.35 2.08 -0.21 3.97 5.04 -0.29 -0.34 117.35 127.95 1rir s TYR 167 Ca -0.05 -1.04 -0.17 0.00 -2.44 0.00 0.00 57.07 53.37 1rir s TYR 167 Cb -0.10 -1.50 -0.04 0.00 0.35 0.00 0.00 41.96 40.67 1rir s TYR 167 CO 0.01 -0.54 0.44 0.34 -1.34 0.00 0.00 175.55 174.45 1rir s ASP 168 N 1.12 6.46 0.19 4.32 2.15 -0.81 -2.78 116.67 127.32 1rir s ASP 168 Ca -0.03 0.55 -0.11 0.00 0.43 0.00 0.00 52.55 53.38 1rir s ASP 168 Cb -0.14 -2.25 0.22 0.00 -0.30 0.00 0.00 42.92 40.44 1rir s ASP 168 CO -0.04 -0.13 1.75 0.77 -0.17 0.00 0.00 175.17 177.35 1rir h SER 169 N 7.50 0.24 0.00 -0.34 4.64 -1.80 -1.29 113.55 122.50 1rir h SER 169 Ca -0.35 0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.04 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 0.72 0.16 -0.00 0.77 -0.87 0.00 0.00 176.83 177.61 1rir h SER 170 N 0.41 -0.00 0.00 4.97 4.64 -1.94 -3.33 113.55 118.30 1rir h SER 170 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1rir h SER 170 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1rir h SER 170 CO -0.26 0.00 0.08 0.35 -0.87 0.00 0.00 176.83 176.14 1rir n THR 171 N -2.02 1.24 -3.83 2.95 -2.24 -1.25 -4.79 114.28 104.34 1rir n THR 171 Ca -0.00 0.39 -0.30 0.00 -2.27 0.00 0.00 64.05 61.87 1rir n THR 171 Cb 0.00 -1.39 -0.01 0.00 -2.10 0.00 0.00 70.33 66.83 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 -1.29 -3.72 -3.60 -0.78 5.02 -0.49 -4.87 118.16 108.43 1rir n LYS 172 Ca 0.00 0.45 -0.39 0.00 -2.02 0.00 0.00 58.31 56.35 1rir n LYS 172 Cb 0.08 -5.21 -0.11 0.00 -0.02 0.00 0.00 35.03 29.77 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 -3.14 5.00 -0.35 -0.18 2.01 -1.21 -1.34 115.64 116.42 1rir s THR 173 Ca 0.60 -0.16 -0.18 0.00 0.31 0.00 0.00 61.69 62.25 1rir s THR 173 Cb -0.32 -3.49 -0.00 0.00 0.01 0.00 0.00 72.50 68.70 1rir s THR 173 CO 0.74 0.12 0.52 -0.22 -0.69 0.00 0.00 174.62 175.08 1rir s LEU 174 N 1.69 4.35 -0.20 4.42 2.96 0.66 -1.92 118.68 130.64 1rir s LEU 174 Ca 0.06 -0.02 0.01 0.00 -0.22 0.00 0.00 54.13 53.96 1rir s LEU 174 Cb -0.17 -2.59 0.03 0.00 0.50 0.00 0.00 46.19 43.97 1rir s LEU 174 CO 0.09 -0.48 -0.16 -0.44 -1.32 0.00 0.00 176.35 174.04 1rir s SER 175 N 1.76 3.47 0.15 3.68 0.01 0.54 -1.19 113.70 122.12 1rir s SER 175 Ca 0.19 -0.86 0.03 0.00 1.31 0.00 0.00 55.95 56.61 1rir s SER 175 Cb -0.15 -1.43 -0.04 0.00 0.21 0.00 0.00 66.02 64.61 1rir s SER 175 CO 0.13 -0.08 0.26 -0.69 0.41 0.00 0.00 173.24 173.28 1rir s VAL 176 N 1.28 5.21 -0.23 3.43 1.01 -0.32 -1.58 120.40 129.20 1rir s VAL 176 Ca 0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.22 1rir s VAL 176 Cb -0.15 -3.68 0.11 0.00 0.00 0.00 0.00 36.38 32.66 1rir s VAL 176 CO -0.10 -0.09 0.26 0.00 0.00 0.00 0.00 175.10 175.18 1rir s ALA 177 N -1.74 -0.46 -0.26 5.51 0.00 -0.59 -2.86 121.76 121.36 1rir s ALA 177 Ca 0.34 0.28 -0.15 0.00 0.00 0.00 0.00 51.96 52.43 1rir s ALA 177 Cb -0.11 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 1rir s ALA 177 CO 0.28 -1.31 0.38 0.08 0.00 0.00 0.00 175.76 175.19 1rir s VAL 178 N 2.37 5.17 -0.30 0.00 1.01 0.32 -2.06 120.40 126.92 1rir s VAL 178 Ca 0.09 0.58 -0.11 0.00 0.00 0.00 0.00 61.98 62.54 1rir s VAL 178 Cb -0.15 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 1rir s VAL 178 CO -0.17 0.16 0.18 -0.89 0.00 0.00 0.00 175.10 174.39 1rir s THR 179 N 2.02 5.00 0.66 3.92 2.01 0.09 -0.33 115.64 129.01 1rir s THR 179 Ca 0.15 -0.13 -0.05 0.00 0.31 0.00 0.00 61.69 61.97 1rir s THR 179 Cb -0.16 -3.48 0.05 0.00 0.01 0.00 0.00 72.50 68.93 1rir s THR 179 CO 0.10 0.14 0.96 0.20 -0.69 0.00 0.00 174.62 175.33 1rir s ASN 180 N 1.70 4.99 0.14 3.53 0.01 -0.76 -2.55 114.94 121.99 1rir s ASN 180 Ca 0.06 0.41 -0.18 0.00 -0.71 0.00 0.00 52.86 52.44 1rir s ASN 180 Cb -0.17 -1.14 0.01 0.00 0.41 0.00 0.00 41.25 40.36 1rir s ASN 180 CO 0.09 -1.46 1.76 -0.78 -1.51 0.00 0.00 177.10 175.20 1rir h ASP 181 N -0.43 0.16 0.42 -1.22 3.58 -1.89 -2.32 116.42 114.72 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 -0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.35 1rir h ASP 181 CO 0.59 0.13 -0.06 -0.55 -2.88 0.00 0.00 179.24 176.47 1rir h ASN 182 N 0.27 0.00 0.00 2.28 -0.00 -1.97 -3.46 115.58 112.69 1rir h ASN 182 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.43 1rir h ASN 182 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.39 1rir h ASN 182 CO -0.11 0.06 0.00 0.61 -0.00 0.00 0.00 177.43 177.99 1rir n GLY 183 N -0.63 3.77 3.36 9.14 0.00 -0.87 -5.11 105.19 114.85 1rir n GLY 183 Ca -0.02 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.00 -4.45 1.61 9.92 -1.26 -4.42 116.55 115.95 1rir n ASP 184 Ca 0.00 0.90 -0.31 0.00 -0.53 0.00 0.00 54.79 54.85 1rir n ASP 184 Cb 0.00 -0.96 -0.13 0.00 -0.64 0.00 0.00 41.12 39.39 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 2.80 -0.08 0.53 -4.36 -1.26 -1.83 121.20 115.51 1rir s ILE 185 Ca 0.61 -1.08 0.04 0.00 -0.26 0.00 0.00 60.65 59.97 1rir s ILE 185 Cb -0.68 -2.15 -0.01 0.00 1.25 0.00 0.00 42.46 40.87 1rir s ILE 185 CO 0.60 0.41 -0.22 -0.89 0.24 0.00 0.00 174.94 175.09 1rir s THR 186 N -0.86 2.34 0.04 8.37 2.01 0.55 -4.96 115.64 123.13 1rir s THR 186 Ca 0.14 -0.95 0.02 0.00 0.31 0.00 0.00 61.69 61.20 1rir s THR 186 Cb -0.10 -1.89 -0.02 0.00 0.01 0.00 0.00 72.50 70.49 1rir s THR 186 CO 0.04 0.56 -0.07 0.42 -0.69 0.00 0.00 174.62 174.88 1rir s THR 187 N -0.03 0.45 0.05 -0.82 -4.23 -1.26 0.12 115.64 109.91 1rir s THR 187 Ca -0.06 -1.00 -0.10 0.00 -1.18 0.00 0.00 61.69 59.35 1rir s THR 187 Cb -0.15 -0.53 0.00 0.00 1.34 0.00 0.00 72.50 73.17 1rir s THR 187 CO 0.05 -0.37 0.20 -0.51 -0.54 0.00 0.00 174.62 173.44 1rir s ILE 188 N -1.32 0.11 -0.02 2.99 2.07 -1.13 -5.01 121.20 118.89 1rir s ILE 188 Ca -0.10 -0.92 -0.17 0.00 -1.41 0.00 0.00 60.65 58.05 1rir s ILE 188 Cb -0.10 -0.96 0.03 0.00 0.13 0.00 0.00 42.46 41.57 1rir s ILE 188 CO 0.00 -0.51 0.37 0.00 -1.91 0.00 0.00 174.94 172.89 1rir s ALA 189 N -2.71 -0.93 -0.15 1.50 0.00 -1.26 -1.18 121.76 117.03 1rir s ALA 189 Ca -0.04 0.50 -0.27 0.00 0.00 0.00 0.00 51.96 52.16 1rir s ALA 189 Cb -0.00 0.03 0.07 0.00 0.00 0.00 0.00 23.12 23.21 1rir s ALA 189 CO -0.05 -0.27 0.66 -1.14 0.00 0.00 0.00 175.76 174.97 1rir s GLN 190 N -1.24 0.91 0.08 0.00 2.00 -0.33 -4.98 119.66 116.09 1rir s GLN 190 Ca -0.13 0.59 -0.26 0.00 -2.00 0.00 0.00 55.36 53.56 1rir s GLN 190 Cb -0.04 0.43 -0.06 0.00 0.80 0.00 0.00 33.01 34.14 1rir s GLN 190 CO 0.05 -0.20 0.82 0.08 -0.50 0.00 0.00 175.29 175.54 1rir s VAL 191 N -0.41 4.61 -0.26 1.34 1.01 -1.26 -0.24 120.40 125.19 1rir s VAL 191 Ca -0.06 1.77 -0.01 0.00 0.00 0.00 0.00 61.98 63.68 1rir s VAL 191 Cb -0.03 -4.18 0.14 0.00 0.00 0.00 0.00 36.38 32.32 1rir s VAL 191 CO 0.05 0.37 0.38 -0.69 0.00 0.00 0.00 175.10 175.22 1rir s VAL 192 N -0.19 -0.60 -0.59 2.92 1.01 -0.45 -4.95 120.40 117.55 1rir s VAL 192 Ca 0.40 -0.16 -0.26 0.00 0.00 0.00 0.00 61.98 61.96 1rir s VAL 192 Cb -0.22 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1rir s VAL 192 CO 0.25 -0.19 1.97 -0.62 0.00 0.00 0.00 175.10 176.51 1rir s ASP 193 N 2.54 5.10 0.31 3.32 -1.08 -1.26 -4.80 116.67 120.81 1rir s ASP 193 Ca 0.12 0.48 0.01 0.00 -0.52 0.00 0.00 52.55 52.63 1rir s ASP 193 Cb -0.14 -2.52 0.55 0.00 -1.46 0.00 0.00 42.92 39.35 1rir s ASP 193 CO -0.21 -2.48 1.94 -0.07 0.52 0.00 0.00 175.17 174.87 1rir h LEU 194 N 17.06 0.86 -0.51 -1.34 3.38 -1.96 0.74 115.31 133.54 1rir h LEU 194 Ca -0.26 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1rir h LEU 194 Cb 1.18 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1rir h LEU 194 CO 1.21 0.57 0.00 1.17 0.09 0.00 0.00 178.44 181.48 1rir n LYS 195 N -4.47 0.11 -0.08 1.13 4.81 -1.26 -1.06 118.16 117.35 1rir n LYS 195 Ca 0.12 0.40 -0.07 0.00 -0.87 0.00 0.00 58.31 57.89 1rir n LYS 195 Cb 0.16 -1.74 -0.16 0.00 0.02 0.00 0.00 35.03 33.32 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 -1.67 1.67 -0.04 3.14 0.00 0.20 -4.60 120.51 119.21 1rir n ALA 196 Ca 0.02 -1.15 -0.00 0.00 0.00 0.00 0.00 53.44 52.31 1rir n ALA 196 Cb 0.17 -0.35 -0.12 0.00 0.00 0.00 0.00 19.45 19.15 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 -2.73 1.08 -4.36 0.00 4.76 -0.86 -5.02 118.16 111.03 1rir n LYS 197 Ca -0.27 -0.07 -0.30 0.00 -2.87 0.00 0.00 58.31 54.80 1rir n LYS 197 Cb 1.07 -1.38 -0.12 0.00 -1.84 0.00 0.00 35.03 32.76 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 -4.63 2.68 0.99 -0.35 1.43 -0.22 -4.90 118.68 113.68 1rir s LEU 198 Ca -0.07 -0.54 -0.12 0.00 -1.03 0.00 0.00 54.13 52.38 1rir s LEU 198 Cb 0.07 -1.54 0.18 0.00 0.03 0.00 0.00 46.19 44.93 1rir s LEU 198 CO 0.63 0.19 1.09 -2.16 0.23 0.00 0.00 176.35 176.33 1rir s PRO 199 N -2.02 0.53 0.20 1.29 0.04 -1.26 -4.63 135.00 129.15 1rir s PRO 199 Ca 0.17 0.60 -0.12 0.00 0.04 0.00 0.00 61.00 61.69 1rir s PRO 199 Cb -0.11 -1.74 0.24 0.00 0.04 0.00 0.00 34.50 32.93 1rir s PRO 199 CO 0.09 -2.68 1.67 0.93 0.04 0.00 0.00 177.00 177.05 1rir h GLU 200 N -1.86 0.10 -4.95 4.56 5.08 -1.95 -3.38 114.58 112.18 1rir h GLU 200 Ca -0.54 -0.01 -0.64 0.00 -1.00 0.00 0.00 59.36 57.18 1rir h GLU 200 Cb 1.32 -0.02 -0.18 0.00 0.50 0.00 0.00 28.75 30.37 1rir h GLU 200 CO 0.56 0.07 -0.54 1.03 -1.00 0.00 0.00 179.01 179.13 1rir s ARG 201 N -6.17 3.91 0.35 2.33 0.52 -1.26 -1.11 118.95 117.53 1rir s ARG 201 Ca -0.14 -0.34 0.02 0.00 -0.52 0.00 0.00 55.73 54.75 1rir s ARG 201 Cb 0.18 -3.57 -0.01 0.00 0.52 0.00 0.00 34.95 32.07 1rir s ARG 201 CO 0.73 -0.14 0.07 1.33 0.02 0.00 0.00 175.30 177.31 1rir n VAL 202 N 4.89 0.00 -4.08 3.52 0.24 -0.86 -2.63 118.33 119.41 1rir n VAL 202 Ca -0.15 -1.87 -0.14 0.00 -2.04 0.00 0.00 64.34 60.15 1rir n VAL 202 Cb 0.52 0.55 -0.12 0.00 -1.47 0.00 0.00 33.84 33.31 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 -3.31 0.46 0.04 7.34 1.02 0.57 -1.43 119.74 124.43 1rir s LYS 203 Ca 0.10 -0.54 0.03 0.00 0.02 0.00 0.00 55.97 55.58 1rir s LYS 203 Cb 0.00 -0.29 -0.04 0.00 -0.52 0.00 0.00 37.83 36.99 1rir s LYS 203 CO 0.07 0.06 -0.00 -0.06 -0.92 0.00 0.00 175.35 174.49 1rir s PHE 204 N -0.94 3.02 -0.07 3.18 0.08 -1.26 -2.04 117.98 119.96 1rir s PHE 204 Ca -0.06 0.02 0.00 0.00 0.12 0.00 0.00 56.93 57.01 1rir s PHE 204 Cb -0.07 -1.60 0.00 0.00 -0.57 0.00 0.00 43.02 40.78 1rir s PHE 204 CO 0.00 0.46 0.00 0.41 -0.10 0.00 0.00 175.22 175.99 1rir n GLY 205 N 1.02 -1.14 3.26 4.36 0.00 -0.77 -0.95 105.19 110.96 1rir n GLY 205 Ca -0.13 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.25 2.14 0.18 1.61 0.08 -0.44 -0.40 117.98 118.90 1rir s PHE 206 Ca 0.00 -0.47 0.05 0.00 0.12 0.00 0.00 56.93 56.64 1rir s PHE 206 Cb 0.00 -1.39 -0.05 0.00 -0.57 0.00 0.00 43.02 41.01 1rir s PHE 206 CO 0.00 -0.08 -0.10 0.45 -0.10 0.00 0.00 175.22 175.39 1rir s SER 207 N -0.43 2.07 0.33 1.36 0.15 0.66 -0.50 113.70 117.35 1rir s SER 207 Ca 0.06 -1.05 -0.08 0.00 0.70 0.00 0.00 55.95 55.57 1rir s SER 207 Cb -0.10 -0.05 0.01 0.00 -1.71 0.00 0.00 66.02 64.17 1rir s SER 207 CO 0.00 -0.31 0.55 0.00 1.20 0.00 0.00 173.24 174.69 1rir s ALA 208 N -3.22 0.16 -0.02 5.45 0.00 -0.21 -1.06 121.76 122.86 1rir s ALA 208 Ca 0.21 -1.18 -0.30 0.00 0.00 0.00 0.00 51.96 50.69 1rir s ALA 208 Cb 0.02 1.02 0.11 0.00 0.00 0.00 0.00 23.12 24.27 1rir s ALA 208 CO 0.04 -0.85 0.98 -1.54 0.00 0.00 0.00 175.76 174.38 1rir s SER 209 N -3.15 -0.28 0.27 0.00 1.04 -1.26 -3.08 113.70 107.24 1rir s SER 209 Ca 0.25 -0.05 -0.00 0.00 0.48 0.00 0.00 55.95 56.62 1rir s SER 209 Cb -0.02 0.34 -0.02 0.00 0.10 0.00 0.00 66.02 66.42 1rir s SER 209 CO 0.16 -0.56 0.28 -0.83 0.98 0.00 0.00 173.24 173.26 1rir s GLY 210 N -2.50 1.60 0.00 7.32 0.00 -0.79 -0.48 107.32 112.47 1rir s GLY 210 Ca 0.07 -1.67 0.00 0.00 0.00 0.00 0.00 44.72 43.12 1rir s GLY 210 CO -0.07 -1.25 0.00 -1.14 0.00 0.00 0.00 173.10 170.64 1rir n SER 211 N -0.87 1.24 -0.00 1.64 3.41 0.17 -3.88 113.62 115.32 1rir n SER 211 Ca 0.03 -0.93 -0.13 0.00 -0.26 0.00 0.00 58.87 57.58 1rir n SER 211 Cb 0.64 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.49 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 -0.03 0.00 1.04 6.46 -1.77 -3.30 115.31 117.71 1rir h LEU 212 Ca 0.00 -0.48 0.00 0.00 -0.12 0.00 0.00 57.88 57.28 1rir h LEU 212 Cb 0.00 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 39.94 1rir h LEU 212 CO 0.00 0.47 -1.17 0.61 -0.62 0.00 0.00 178.44 177.73 1rir n GLY 213 N 0.27 -1.21 3.40 3.75 0.00 -1.26 -4.88 105.19 105.25 1rir n GLY 213 Ca -0.09 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.87 1.76 0.06 -0.02 0.00 -1.25 -1.97 107.32 102.01 1rir s GLY 214 Ca 0.01 -1.25 -0.18 0.00 0.00 0.00 0.00 44.72 43.30 1rir s GLY 214 CO 0.82 0.57 0.41 0.50 0.00 0.00 0.00 173.10 175.40 1rir s ARG 215 N 1.56 0.95 -0.07 2.90 0.52 0.12 0.44 118.95 125.37 1rir s ARG 215 Ca 0.05 -0.41 -0.32 0.00 -0.52 0.00 0.00 55.73 54.53 1rir s ARG 215 Cb -0.16 0.42 0.14 0.00 0.52 0.00 0.00 34.95 35.87 1rir s ARG 215 CO 0.02 -0.33 1.37 1.14 0.02 0.00 0.00 175.30 177.53 1rir s GLN 216 N -2.69 0.18 0.10 3.54 -2.07 -1.21 -4.07 119.66 113.43 1rir s GLN 216 Ca -0.04 -0.10 -0.21 0.00 -1.82 0.00 0.00 55.36 53.19 1rir s GLN 216 Cb -0.00 0.06 -0.07 0.00 -1.09 0.00 0.00 33.01 31.91 1rir s GLN 216 CO -0.04 -0.08 0.64 0.42 -1.32 0.00 0.00 175.29 174.91 1rir s ILE 217 N -2.19 4.63 -0.32 3.63 1.01 -0.83 -4.83 121.20 122.29 1rir s ILE 217 Ca 0.14 1.39 0.02 0.00 0.00 0.00 0.00 60.65 62.20 1rir s ILE 217 Cb 0.06 -3.98 0.10 0.00 0.01 0.00 0.00 42.46 38.65 1rir s ILE 217 CO -0.06 0.54 0.05 -1.00 0.00 0.00 0.00 174.94 174.47 1rir s HIS 218 N -1.06 3.11 -0.19 3.97 3.76 -1.26 -3.10 115.29 120.52 1rir s HIS 218 Ca 0.31 -2.56 -0.05 0.00 -0.15 0.00 0.00 55.06 52.61 1rir s HIS 218 Cb -0.21 -2.48 -0.03 0.00 1.11 0.00 0.00 32.58 30.98 1rir s HIS 218 CO 0.21 -0.92 0.00 -0.51 -0.85 0.00 0.00 174.74 172.68 1rir s LEU 219 N 1.13 3.32 -0.48 0.89 1.43 0.50 -0.96 118.68 124.51 1rir s LEU 219 Ca 0.09 -0.16 -0.13 0.00 -1.03 0.00 0.00 54.13 52.90 1rir s LEU 219 Cb -0.19 -1.84 0.09 0.00 0.03 0.00 0.00 46.19 44.29 1rir s LEU 219 CO -0.12 0.09 0.38 -0.63 0.23 0.00 0.00 176.35 176.30 1rir s ILE 220 N 0.83 4.88 0.05 -0.59 -1.09 -0.47 -0.58 121.20 124.23 1rir s ILE 220 Ca 0.01 -1.33 -0.11 0.00 -2.23 0.00 0.00 60.65 56.99 1rir s ILE 220 Cb -0.14 -4.01 -0.33 0.00 -1.58 0.00 0.00 42.46 36.40 1rir s ILE 220 CO 0.02 -0.65 1.05 0.03 -1.23 0.00 0.00 174.94 174.16 1rir h ARG 221 N 8.67 0.43 -3.04 2.79 3.08 -1.27 -2.65 114.38 122.39 1rir h ARG 221 Ca -0.27 -0.73 -0.02 0.00 0.07 0.00 0.00 59.98 59.03 1rir h ARG 221 Cb 1.10 0.27 -0.12 0.00 0.08 0.00 0.00 29.97 31.31 1rir h ARG 221 CO 0.89 1.35 0.19 -1.54 -1.07 0.00 0.00 179.97 179.78 1rir s SER 222 N -7.40 -0.52 -0.23 7.04 1.04 -1.15 -4.36 113.70 108.12 1rir s SER 222 Ca -0.07 -0.08 -0.16 0.00 0.48 0.00 0.00 55.95 56.12 1rir s SER 222 Cb 0.05 0.60 0.07 0.00 0.10 0.00 0.00 66.02 66.84 1rir s SER 222 CO 0.92 -0.99 0.59 0.86 0.98 0.00 0.00 173.24 175.60 1rir s TRP 223 N -3.77 -0.81 -0.03 5.02 -0.00 0.06 -1.95 118.94 117.46 1rir s TRP 223 Ca 0.02 1.75 -0.00 0.00 -0.00 0.00 0.00 56.10 57.87 1rir s TRP 223 Cb -0.01 0.40 0.03 0.00 -0.00 0.00 0.00 33.47 33.88 1rir s TRP 223 CO -0.11 -0.41 0.02 -1.54 -0.00 0.00 0.00 176.95 174.91 1rir s SER 224 N 1.09 0.45 0.04 5.86 1.04 -0.47 0.75 113.70 122.45 1rir s SER 224 Ca -0.06 0.01 0.03 0.00 0.48 0.00 0.00 55.95 56.40 1rir s SER 224 Cb -0.05 -0.17 -0.02 0.00 0.10 0.00 0.00 66.02 65.87 1rir s SER 224 CO -0.10 -0.13 -0.08 0.12 0.98 0.00 0.00 173.24 174.02 1rir s PHE 225 N 1.23 0.73 -0.24 5.02 2.19 -1.04 -1.11 117.98 124.75 1rir s PHE 225 Ca -0.07 -0.43 -0.11 0.00 0.33 0.00 0.00 56.93 56.65 1rir s PHE 225 Cb -0.13 -0.44 0.09 0.00 -1.31 0.00 0.00 43.02 41.23 1rir s PHE 225 CO -0.02 -0.05 0.56 0.99 1.83 0.00 0.00 175.22 178.53 1rir s THR 226 N -1.15 -0.42 0.07 0.12 2.01 -1.03 -1.67 115.64 113.56 1rir s THR 226 Ca -0.07 0.06 0.06 0.00 0.31 0.00 0.00 61.69 62.05 1rir s THR 226 Cb -0.09 -0.85 -0.03 0.00 0.01 0.00 0.00 72.50 71.55 1rir s THR 226 CO 0.01 0.02 -0.16 -0.94 -0.69 0.00 0.00 174.62 172.86 1rir s SER 227 N 2.15 1.88 -0.04 3.53 1.04 0.13 -0.10 113.70 122.28 1rir s SER 227 Ca -0.07 -0.60 -0.01 0.00 0.48 0.00 0.00 55.95 55.76 1rir s SER 227 Cb -0.09 -0.08 0.03 0.00 0.10 0.00 0.00 66.02 65.97 1rir s SER 227 CO -0.17 -0.02 0.02 -0.89 0.98 0.00 0.00 173.24 173.17 1rir s THR 228 N -1.15 0.09 -0.34 2.02 2.01 0.04 -0.71 115.64 117.60 1rir s THR 228 Ca 0.01 0.22 -0.05 0.00 0.31 0.00 0.00 61.69 62.18 1rir s THR 228 Cb -0.10 -0.26 0.05 0.00 0.01 0.00 0.00 72.50 72.21 1rir s THR 228 CO 0.02 0.17 0.09 -0.22 -0.69 0.00 0.00 174.62 173.99 1rir s LEU 229 N 1.56 4.31 0.13 4.42 2.96 0.30 -2.27 118.68 130.09 1rir s LEU 229 Ca -0.02 -1.27 -0.31 0.00 -0.22 0.00 0.00 54.13 52.31 1rir s LEU 229 Cb -0.13 -1.83 -0.07 0.00 0.50 0.00 0.00 46.19 44.66 1rir s LEU 229 CO -0.03 -0.34 1.30 -0.63 -1.32 0.00 0.00 176.35 175.33 1rir s ILE 230 N 1.34 3.51 -0.33 6.68 1.01 -1.26 -1.74 121.20 130.41 1rir s ILE 230 Ca -0.02 1.14 0.01 0.00 0.00 0.00 0.00 60.65 61.78 1rir s ILE 230 Cb -0.20 -3.73 0.14 0.00 0.01 0.00 0.00 42.46 38.69 1rir s ILE 230 CO 0.01 0.12 0.32 0.42 0.00 0.00 0.00 174.94 175.81 1rir s THR 231 N 0.73 -0.33 0.00 2.92 -4.23 -1.26 -4.83 115.64 108.64 1rir s THR 231 Ca 0.60 -0.79 0.00 0.00 -1.18 0.00 0.00 61.69 60.32 1rir s THR 231 Cb -0.34 -0.86 0.00 0.00 1.34 0.00 0.00 72.50 72.64 1rir s THR 231 CO 0.32 -0.55 0.00 1.07 -0.54 0.00 0.00 174.62 174.92