#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jir s PRO 5 N 0.00 4.17 0.05 2.89 0.02 -1.26 -4.76 135.00 136.12 2jir s PRO 5 Ca 0.00 2.48 0.12 0.00 0.02 0.00 0.00 61.00 63.62 2jir s PRO 5 Cb 0.00 -3.07 -0.18 0.00 0.02 0.00 0.00 34.50 31.27 2jir s PRO 5 CO 0.00 -0.59 0.94 0.93 -0.33 0.00 0.00 177.00 177.96 2jir h GLU 6 N 5.42 0.00 -3.65 5.54 5.08 -1.57 -3.48 114.58 121.93 2jir h GLU 6 Ca -0.46 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.78 2jir h GLU 6 Cb 1.21 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.28 2jir h GLU 6 CO 0.83 0.60 -0.48 -1.59 -1.00 0.00 0.00 179.01 177.37 2jir s LYS 7 N -2.73 0.59 -0.18 2.33 -2.85 -1.13 -5.03 119.74 110.75 2jir s LYS 7 Ca -0.02 -0.62 -0.05 0.00 -1.00 0.00 0.00 55.97 54.28 2jir s LYS 7 Cb 0.09 0.24 -0.03 0.00 -2.06 0.00 0.00 37.83 36.07 2jir s LYS 7 CO 0.81 -0.15 -0.01 -1.58 0.10 0.00 0.00 175.35 174.52 2jir s TRP 8 N -2.27 3.06 -0.25 1.78 0.52 -1.26 -1.50 118.94 119.03 2jir s TRP 8 Ca -0.08 -0.31 -0.05 0.00 0.02 0.00 0.00 56.10 55.69 2jir s TRP 8 Cb -0.03 -2.02 -0.00 0.00 -1.15 0.00 0.00 33.47 30.27 2jir s TRP 8 CO -0.03 -0.09 0.01 0.08 0.02 0.00 0.00 176.95 176.94 2jir s VAL 9 N 0.60 3.62 -0.03 4.03 1.01 0.10 -4.83 120.40 124.90 2jir s VAL 9 Ca -0.01 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 2jir s VAL 9 Cb -0.14 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 2jir s VAL 9 CO 0.02 0.28 1.19 -0.75 0.00 0.00 0.00 175.10 175.85 2jir s LYS 10 N 1.49 4.38 0.00 2.72 2.20 -1.26 -1.09 119.74 128.17 2jir s LYS 10 Ca 0.04 1.68 0.00 0.00 -0.36 0.00 0.00 55.97 57.33 2jir s LYS 10 Cb -0.16 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.65 2jir s LYS 10 CO -0.01 -0.39 0.00 0.41 -0.36 0.00 0.00 175.35 175.00 2jir n GLY 11 N 3.32 4.33 2.88 5.54 0.00 0.05 -2.25 105.19 119.05 2jir n GLY 11 Ca 0.10 -0.62 -0.15 0.00 0.00 0.00 0.00 46.02 45.35 2jir n GLY 11 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jir s VAL 12 N 0.19 0.21 0.13 1.61 1.01 -1.26 -1.16 120.40 121.13 2jir s VAL 12 Ca 0.00 -0.04 -0.34 0.00 0.00 0.00 0.00 61.98 61.59 2jir s VAL 12 Cb 0.00 -0.22 -0.17 0.00 0.00 0.00 0.00 36.38 35.99 2jir s VAL 12 CO 0.00 0.09 1.09 0.00 0.00 0.00 0.00 175.10 176.28 2jir h ARG 14 N 3.14 0.00 0.00 0.00 9.65 -1.96 -3.44 114.38 121.78 2jir h ARG 14 Ca -0.44 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.44 2jir h ARG 14 Cb 1.37 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.95 2jir h ARG 14 CO 0.68 0.00 0.00 0.66 2.80 0.00 0.00 179.97 184.11 2jir n TYR 15 N -2.72 0.00 -1.44 2.20 4.02 -1.26 -4.81 117.16 113.16 2jir n TYR 15 Ca -0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.60 2jir n TYR 15 Cb 0.18 0.00 0.15 0.00 -0.02 0.00 0.00 39.34 39.65 2jir n TYR 15 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2jir n GLY 17 N -1.93 -0.60 0.32 0.00 0.00 -0.44 -2.15 105.19 100.39 2jir n GLY 17 Ca 0.07 -0.10 0.02 0.00 0.00 0.00 0.00 46.02 46.01 2jir n GLY 17 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2jir h THR 18 N 0.00 1.15 -4.59 2.61 2.02 -1.87 -2.34 112.91 109.89 2jir h THR 18 Ca 0.00 -0.34 -0.28 0.00 0.77 0.00 0.00 66.41 66.57 2jir h THR 18 Cb 0.03 0.40 0.11 0.00 -1.74 0.00 0.00 68.15 66.95 2jir h THR 18 CO 0.00 0.16 -0.52 0.61 0.37 0.00 0.00 175.52 176.14 2jir n GLY 19 N -1.37 -0.14 3.75 2.16 0.00 -0.92 -4.80 105.19 103.87 2jir n GLY 19 Ca 0.05 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2jir n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jir s GLY 21 N 0.59 2.65 0.03 0.00 0.00 -1.26 0.04 107.32 109.37 2jir s GLY 21 Ca 0.65 0.62 0.02 0.00 0.00 0.00 0.00 44.72 46.01 2jir s GLY 21 CO 0.45 1.01 -0.08 0.14 0.00 0.00 0.00 173.10 174.62 2jir s VAL 22 N -1.79 0.60 -0.13 1.40 1.01 -0.31 -0.12 120.40 121.07 2jir s VAL 22 Ca 0.59 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2jir s VAL 22 Cb -0.19 -0.61 -0.00 0.00 0.00 0.00 0.00 36.38 35.58 2jir s VAL 22 CO 0.24 -0.20 -0.17 -0.76 0.00 0.00 0.00 175.10 174.20 2jir s LEU 23 N -1.15 2.42 -0.27 3.92 1.43 0.17 -0.77 118.68 124.43 2jir s LEU 23 Ca -0.05 -0.46 -0.08 0.00 -1.03 0.00 0.00 54.13 52.51 2jir s LEU 23 Cb -0.08 -1.53 -0.02 0.00 0.03 0.00 0.00 46.19 44.60 2jir s LEU 23 CO 0.00 0.13 0.10 -0.69 0.23 0.00 0.00 176.35 176.12 2jir s VAL 24 N 0.54 4.37 -0.24 -1.59 1.01 -0.25 -1.50 120.40 122.74 2jir s VAL 24 Ca -0.11 -0.29 -0.24 0.00 0.00 0.00 0.00 61.98 61.34 2jir s VAL 24 Cb -0.16 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 2jir s VAL 24 CO 0.04 0.23 0.78 -0.83 0.00 0.00 0.00 175.10 175.32 2jir s GLY 25 N 1.60 1.79 0.04 4.51 0.00 0.84 -0.72 107.32 115.39 2jir s GLY 25 Ca 0.05 -0.20 0.08 0.00 0.00 0.00 0.00 44.72 44.66 2jir s GLY 25 CO 0.04 1.71 -0.24 -1.34 0.00 0.00 0.00 173.10 173.27 2jir s VAL 26 N 2.72 1.95 -0.15 1.40 -7.23 -0.56 0.12 120.40 118.65 2jir s VAL 26 Ca 0.33 -1.30 -0.04 0.00 -1.81 0.00 0.00 61.98 59.16 2jir s VAL 26 Cb -0.15 -1.67 0.07 0.00 0.56 0.00 0.00 36.38 35.19 2jir s VAL 26 CO 0.08 0.32 0.21 -0.75 -0.31 0.00 0.00 175.10 174.64 2jir s LYS 27 N -1.17 0.13 -1.22 4.82 2.20 0.14 -1.25 119.74 123.38 2jir s LYS 27 Ca 0.10 0.43 -0.03 0.00 -0.36 0.00 0.00 55.97 56.11 2jir s LYS 27 Cb -0.09 -0.67 0.00 0.00 -1.51 0.00 0.00 37.83 35.56 2jir s LYS 27 CO 0.02 -0.46 0.39 -0.25 -0.36 0.00 0.00 175.35 174.69 2jir n ASP 28 N 5.33 -5.01 0.00 1.43 8.00 -1.26 -2.38 116.55 122.66 2jir n ASP 28 Ca -0.05 -0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.26 2jir n ASP 28 Cb 0.50 -3.90 0.00 0.00 -0.02 0.00 0.00 41.12 37.69 2jir n ASP 28 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jir n GLY 29 N -1.29 0.66 3.17 0.44 0.00 -1.26 -5.03 105.19 101.88 2jir n GLY 29 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 2jir n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jir s LYS 30 N -0.10 2.46 0.16 1.61 -0.14 -1.00 -4.60 119.74 118.13 2jir s LYS 30 Ca 0.00 -0.74 -0.30 0.00 -1.36 0.00 0.00 55.97 53.57 2jir s LYS 30 Cb 0.00 -1.96 -0.08 0.00 -1.68 0.00 0.00 37.83 34.11 2jir s LYS 30 CO 0.00 0.19 1.32 0.00 -0.76 0.00 0.00 175.35 176.10 2jir s ALA 31 N 0.27 3.53 0.00 5.17 0.00 -1.26 0.27 121.76 129.74 2jir s ALA 31 Ca -0.13 1.08 0.00 0.00 0.00 0.00 0.00 51.96 52.91 2jir s ALA 31 Cb -0.16 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.47 2jir s ALA 31 CO 0.06 -0.55 0.00 1.33 0.00 0.00 0.00 175.76 176.60 2jir n VAL 32 N 3.16 0.00 -3.67 0.00 0.24 0.32 -4.90 118.33 113.48 2jir n VAL 32 Ca 0.08 -0.10 -0.09 0.00 -2.04 0.00 0.00 64.34 62.19 2jir n VAL 32 Cb 0.43 0.54 -0.02 0.00 -1.47 0.00 0.00 33.84 33.32 2jir n VAL 32 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jir s ALA 33 N -1.31 -1.33 -0.13 2.33 0.00 -1.08 -5.00 121.76 115.24 2jir s ALA 33 Ca 0.00 0.02 -0.17 0.00 0.00 0.00 0.00 51.96 51.81 2jir s ALA 33 Cb 0.00 0.87 0.04 0.00 0.00 0.00 0.00 23.12 24.03 2jir s ALA 33 CO 0.00 -0.90 0.44 -1.50 0.00 0.00 0.00 175.76 173.80 2jir s ILE 34 N -3.85 0.01 0.17 0.00 2.07 -1.26 -0.11 121.20 118.24 2jir s ILE 34 Ca 0.07 -0.10 -0.04 0.00 -1.41 0.00 0.00 60.65 59.17 2jir s ILE 34 Cb -0.03 -0.66 -0.03 0.00 0.13 0.00 0.00 42.46 41.87 2jir s ILE 34 CO -0.02 -0.06 0.17 0.00 -1.91 0.00 0.00 174.94 173.12 2jir s GLN 35 N -0.22 1.12 0.42 3.50 -2.07 -0.56 -4.99 119.66 116.87 2jir s GLN 35 Ca -0.04 -1.44 -0.22 0.00 -1.82 0.00 0.00 55.36 51.85 2jir s GLN 35 Cb -0.03 0.30 -0.10 0.00 -1.09 0.00 0.00 33.01 32.09 2jir s GLN 35 CO 0.02 -0.37 1.00 0.20 -1.32 0.00 0.00 175.29 174.81 2jir s GLY 36 N -3.07 2.56 -0.26 2.60 0.00 -1.23 0.42 107.32 108.35 2jir s GLY 36 Ca 0.28 0.54 -0.29 0.00 0.00 0.00 0.00 44.72 45.25 2jir s GLY 36 CO 0.06 0.89 1.79 0.21 0.00 0.00 0.00 173.10 176.05 2jir s ASN 37 N -1.91 6.05 0.45 1.64 3.04 0.83 -4.43 114.94 120.60 2jir s ASN 37 Ca 0.61 1.57 0.31 0.00 0.04 0.00 0.00 52.86 55.38 2jir s ASN 37 Cb -0.15 -2.53 1.55 0.00 -1.54 0.00 0.00 41.25 38.58 2jir s ASN 37 CO 0.20 -1.54 1.93 1.55 -3.04 0.00 0.00 177.10 176.20 2jir h PRO 38 N 12.23 0.00 -0.02 0.43 0.13 -1.89 -0.93 132.00 141.94 2jir h PRO 38 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2jir h PRO 38 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2jir h PRO 38 CO 1.01 0.00 -0.14 0.09 -0.23 0.00 0.00 178.00 178.73 2jir n ASN 39 N -2.61 2.62 -4.94 1.44 3.02 -1.26 -4.34 115.26 109.19 2jir n ASN 39 Ca -0.01 -1.81 -0.20 0.00 -0.03 0.00 0.00 54.58 52.53 2jir n ASN 39 Cb 0.12 0.14 0.05 0.00 -0.61 0.00 0.00 39.78 39.48 2jir n ASN 39 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2jir s ASN 40 N -2.04 5.18 0.42 6.41 3.84 -1.15 -4.57 114.94 123.02 2jir s ASN 40 Ca 0.24 -0.32 0.15 0.00 0.21 0.00 0.00 52.86 53.14 2jir s ASN 40 Cb 0.18 -0.47 1.02 0.00 -0.55 0.00 0.00 41.25 41.43 2jir s ASN 40 CO 0.36 -1.21 1.92 1.12 -2.79 0.00 0.00 177.10 176.50 2jir h HIS 41 N 0.13 0.53 0.00 0.43 2.07 -1.87 -0.64 115.15 115.79 2jir h HIS 41 Ca -0.39 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.15 2jir h HIS 41 Cb 1.29 -0.17 0.00 0.00 2.57 0.00 0.00 27.41 31.10 2jir h HIS 41 CO 0.29 0.20 0.00 0.27 -3.07 0.00 0.00 177.93 175.62 2jir n ASN 42 N -4.49 0.11 -2.88 3.10 6.94 -1.26 -4.91 115.26 111.87 2jir n ASN 42 Ca 0.14 0.53 -0.21 0.00 -0.02 0.00 0.00 54.58 55.02 2jir n ASN 42 Cb 0.51 -0.55 0.04 0.00 -2.36 0.00 0.00 39.78 37.42 2jir n ASN 42 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2jir n ALA 43 N -1.55 -0.93 -0.93 -2.53 0.00 -0.25 -2.17 120.51 112.16 2jir n ALA 43 Ca 0.04 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2jir n ALA 43 Cb 0.20 -3.79 0.00 0.00 0.00 0.00 0.00 19.45 15.86 2jir n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jir n GLY 44 N -1.51 0.76 3.81 0.00 0.00 -0.37 -4.75 105.19 103.14 2jir n GLY 44 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 2jir n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jir s LEU 45 N 0.00 4.45 0.11 0.99 1.02 -0.92 -3.51 118.68 120.82 2jir s LEU 45 Ca 0.00 1.02 0.04 0.00 0.02 0.00 0.00 54.13 55.21 2jir s LEU 45 Cb 0.00 -2.69 -0.04 0.00 0.02 0.00 0.00 46.19 43.48 2jir s LEU 45 CO 0.00 0.25 -0.10 -0.76 0.02 0.00 0.00 176.35 175.77 2jir s LEU 46 N -0.77 2.44 0.00 1.79 1.43 -1.26 -4.82 118.68 117.49 2jir s LEU 46 Ca 0.26 -0.88 -0.03 0.00 -1.03 0.00 0.00 54.13 52.45 2jir s LEU 46 Cb -0.17 -0.28 0.16 0.00 0.03 0.00 0.00 46.19 45.93 2jir s LEU 46 CO 0.14 -0.30 1.08 0.00 0.23 0.00 0.00 176.35 177.50 2jir h LEU 48 N 0.00 0.49 -0.10 0.00 5.85 -1.99 -1.36 115.31 118.20 2jir h LEU 48 Ca -0.35 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.43 2jir h LEU 48 Cb 1.25 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 42.14 2jir h LEU 48 CO 0.36 0.33 -0.33 0.11 -0.34 0.00 0.00 178.44 178.57 2jir h LYS 49 N 0.62 -0.40 -0.46 1.25 1.57 -1.93 -1.58 116.57 115.63 2jir h LYS 49 Ca 0.25 0.03 0.07 0.00 -1.87 0.00 0.00 60.65 59.13 2jir h LYS 49 Cb 0.12 0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.46 2jir h LYS 49 CO -0.15 -0.27 0.13 0.78 -0.57 0.00 0.00 179.45 179.37 2jir h GLY 50 N -0.42 0.58 1.61 3.86 0.00 -1.86 -2.79 103.07 104.06 2jir h GLY 50 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2jir h GLY 50 CO -0.34 -0.02 0.25 1.76 0.00 0.00 0.00 176.54 178.19 2jir h SER 51 N 0.28 0.46 -0.92 0.19 0.02 -0.96 -2.78 113.55 109.84 2jir h SER 51 Ca 0.22 -0.02 -0.51 0.00 -0.84 0.00 0.00 61.79 60.65 2jir h SER 51 Cb 0.26 -0.12 -0.29 0.00 0.14 0.00 0.00 62.40 62.40 2jir h SER 51 CO -0.26 0.34 0.59 0.18 -1.14 0.00 0.00 176.83 176.54 2jir n LEU 52 N -4.47 6.59 0.17 5.07 4.77 -0.62 -4.48 117.00 124.03 2jir n LEU 52 Ca 0.03 -3.78 0.05 0.00 -0.03 0.00 0.00 56.01 52.28 2jir n LEU 52 Cb 0.07 -0.83 0.20 0.00 -2.33 0.00 0.00 43.42 40.53 2jir n LEU 52 CO 0.35 1.17 0.60 0.25 -1.33 0.00 0.00 177.39 178.43 2jir h LEU 53 N 1.20 0.00 -0.05 2.23 7.12 -1.44 -3.37 115.31 121.01 2jir h LEU 53 Ca 0.58 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.59 2jir h LEU 53 Cb 2.34 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 42.47 2jir h LEU 53 CO 1.11 0.41 0.02 0.40 -0.13 0.00 0.00 178.44 180.25 2jir h ILE 54 N 0.00 1.11 -0.51 4.05 1.08 -1.85 -1.02 117.51 120.37 2jir h ILE 54 Ca -0.00 -0.33 0.15 0.00 -0.39 0.00 0.00 64.86 64.29 2jir h ILE 54 Cb 1.12 1.25 -0.02 0.00 -3.07 0.00 0.00 36.82 36.09 2jir h ILE 54 CO 0.05 0.09 0.45 1.55 -0.69 0.00 0.00 178.15 179.61 2jir h PRO 55 N -0.05 0.00 -0.09 2.37 0.13 -1.94 -0.73 132.00 131.68 2jir h PRO 55 Ca 0.02 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.07 2jir h PRO 55 Cb 0.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.26 2jir h PRO 55 CO -0.00 0.00 -0.22 0.28 -0.23 0.00 0.00 178.00 177.83 2jir h VAL 56 N 0.00 1.40 0.00 1.56 2.07 -1.39 -2.14 116.25 117.75 2jir h VAL 56 Ca 0.24 -1.53 -0.02 0.00 0.82 0.00 0.00 66.70 66.21 2jir h VAL 56 Cb 1.14 2.16 -0.00 0.00 -1.52 0.00 0.00 31.29 33.07 2jir h VAL 56 CO -0.00 0.44 -0.08 0.25 0.02 0.00 0.00 177.57 178.20 2jir h LEU 57 N -0.14 0.00 -0.43 2.57 5.85 -0.84 -2.92 115.31 119.40 2jir h LEU 57 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2jir h LEU 57 Cb 0.82 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.85 2jir h LEU 57 CO 0.05 0.08 -0.55 0.59 -0.34 0.00 0.00 178.44 178.26 2jir n ASN 58 N -4.14 1.22 -4.69 1.25 3.02 -0.32 -4.97 115.26 106.62 2jir n ASN 58 Ca -0.03 -0.98 -0.42 0.00 -0.03 0.00 0.00 54.58 53.12 2jir n ASN 58 Cb 0.16 0.47 -0.00 0.00 -0.61 0.00 0.00 39.78 39.80 2jir n ASN 58 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2jir n SER 59 N -0.84 2.65 -0.14 6.41 2.88 -0.81 -4.90 113.62 118.87 2jir n SER 59 Ca 0.08 1.19 0.12 0.00 -1.33 0.00 0.00 58.87 58.92 2jir n SER 59 Cb 0.38 -1.48 0.17 0.00 -0.75 0.00 0.00 64.21 62.52 2jir n SER 59 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2jir n LYS 60 N 0.47 0.40 -1.89 -1.46 4.76 -1.26 -4.64 118.16 114.54 2jir n LYS 60 Ca 0.05 -0.28 -0.41 0.00 -2.87 0.00 0.00 58.31 54.80 2jir n LYS 60 Cb 0.37 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 32.05 2jir n LYS 60 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2jir n GLU 61 N -1.05 2.64 -4.17 1.97 1.02 -1.26 -4.88 120.64 114.90 2jir n GLU 61 Ca 0.08 -2.65 -0.13 0.00 -0.02 0.00 0.00 57.16 54.43 2jir n GLU 61 Cb 0.36 -3.32 -0.10 0.00 -0.02 0.00 0.00 31.44 28.35 2jir n GLU 61 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2jir s ARG 62 N 3.99 0.85 -0.43 3.49 1.81 -1.26 -4.42 118.95 122.97 2jir s ARG 62 Ca 0.52 -1.22 -0.22 0.00 -1.72 0.00 0.00 55.73 53.09 2jir s ARG 62 Cb 0.10 -0.43 0.02 0.00 -0.45 0.00 0.00 34.95 34.20 2jir s ARG 62 CO 0.00 0.05 0.72 0.08 -0.68 0.00 0.00 175.30 175.47 2jir s VAL 63 N -2.83 4.74 0.00 3.52 1.01 -0.48 -4.76 120.40 121.61 2jir s VAL 63 Ca 0.08 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.38 2jir s VAL 63 Cb -0.00 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.13 2jir s VAL 63 CO -0.01 -0.63 0.29 0.35 0.00 0.00 0.00 175.10 175.10 2jir n THR 64 N 5.97 0.00 -4.04 3.92 -2.24 -1.26 -4.42 114.28 112.21 2jir n THR 64 Ca 0.00 -0.49 -0.08 0.00 -2.27 0.00 0.00 64.05 61.22 2jir n THR 64 Cb 0.48 1.02 -0.10 0.00 -2.10 0.00 0.00 70.33 69.62 2jir n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jir s GLN 65 N -0.40 0.47 0.45 -0.78 -2.07 -1.26 0.96 119.66 117.03 2jir s GLN 65 Ca 0.00 -0.92 -0.23 0.00 -1.82 0.00 0.00 55.36 52.39 2jir s GLN 65 Cb 0.00 0.16 -0.08 0.00 -1.09 0.00 0.00 33.01 32.01 2jir s GLN 65 CO 0.00 -0.08 1.12 -2.14 -1.32 0.00 0.00 175.29 172.87 2jir s PRO 66 N -2.74 3.83 0.10 9.60 0.02 -1.26 -4.45 135.00 140.10 2jir s PRO 66 Ca -0.04 1.66 0.07 0.00 0.02 0.00 0.00 61.00 62.72 2jir s PRO 66 Cb -0.01 -2.38 -0.03 0.00 0.02 0.00 0.00 34.50 32.10 2jir s PRO 66 CO -0.06 -0.47 -0.19 -0.51 -0.33 0.00 0.00 177.00 175.45 2jir s LEU 67 N -3.03 2.31 -0.01 -5.54 1.02 -0.44 -1.77 118.68 111.22 2jir s LEU 67 Ca 0.63 -0.69 0.02 0.00 0.02 0.00 0.00 54.13 54.11 2jir s LEU 67 Cb -0.26 -0.78 -0.01 0.00 0.02 0.00 0.00 46.19 45.17 2jir s LEU 67 CO 0.31 0.01 -0.07 0.54 0.02 0.00 0.00 176.35 177.16 2jir s VAL 68 N -1.30 0.57 -0.46 -1.59 0.11 0.36 -1.17 120.40 116.92 2jir s VAL 68 Ca 0.05 -0.31 -0.10 0.00 -2.93 0.00 0.00 61.98 58.69 2jir s VAL 68 Cb -0.09 -0.48 0.10 0.00 -1.53 0.00 0.00 36.38 34.37 2jir s VAL 68 CO 0.04 0.16 0.33 -0.60 -3.33 0.00 0.00 175.10 171.70 2jir s ARG 69 N -0.16 2.63 0.24 1.54 3.52 0.29 -0.67 118.95 126.34 2jir s ARG 69 Ca 0.03 -1.59 -0.05 0.00 -0.13 0.00 0.00 55.73 53.98 2jir s ARG 69 Cb -0.03 -3.93 0.34 0.00 -1.56 0.00 0.00 34.95 29.77 2jir s ARG 69 CO -0.00 -1.09 1.86 0.00 -0.81 0.00 0.00 175.30 175.25 2jir h ARG 70 N 8.51 0.98 -4.94 5.12 2.47 -1.84 -3.43 114.38 121.25 2jir h ARG 70 Ca -0.23 -0.06 -0.32 0.00 -1.26 0.00 0.00 59.98 58.11 2jir h ARG 70 Cb 1.08 -0.22 -0.18 0.00 -1.65 0.00 0.00 29.97 29.00 2jir h ARG 70 CO 0.84 0.65 -0.73 -1.01 0.56 0.00 0.00 179.97 180.28 2jir s HIS 71 N -6.06 1.04 0.31 3.04 3.76 -1.26 -5.09 115.29 111.03 2jir s HIS 71 Ca -0.13 -0.65 -0.29 0.00 -0.15 0.00 0.00 55.06 53.84 2jir s HIS 71 Cb 0.18 -0.57 -0.11 0.00 1.11 0.00 0.00 32.58 33.19 2jir s HIS 71 CO 0.79 -0.01 1.55 0.15 -0.85 0.00 0.00 174.74 176.38 2jir s LYS 72 N -2.74 4.13 0.00 1.40 -0.14 -1.26 -1.67 119.74 119.47 2jir s LYS 72 Ca 0.05 2.56 0.00 0.00 -1.36 0.00 0.00 55.97 57.21 2jir s LYS 72 Cb -0.03 -3.01 0.00 0.00 -1.68 0.00 0.00 37.83 33.10 2jir s LYS 72 CO -0.00 -0.59 0.00 0.41 -0.76 0.00 0.00 175.35 174.41 2jir n GLY 73 N 1.71 2.87 3.59 -3.33 0.00 -1.26 -5.03 105.19 103.74 2jir n GLY 73 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 2jir n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jir s GLY 74 N -1.58 1.56 0.65 -0.02 0.00 -0.67 -5.03 107.32 102.23 2jir s GLY 74 Ca 0.00 -0.70 -0.15 0.00 0.00 0.00 0.00 44.72 43.87 2jir s GLY 74 CO 0.00 0.10 1.10 0.54 0.00 0.00 0.00 173.10 174.83 2jir s LYS 75 N -5.17 2.92 -0.16 2.90 1.02 -1.26 -4.97 119.74 115.01 2jir s LYS 75 Ca 0.69 1.33 -0.17 0.00 0.02 0.00 0.00 55.97 57.83 2jir s LYS 75 Cb -0.14 -1.97 -0.04 0.00 -0.52 0.00 0.00 37.83 35.16 2jir s LYS 75 CO 0.57 -1.15 0.45 -1.17 -0.92 0.00 0.00 175.35 173.13 2jir s LEU 76 N -4.82 4.22 0.06 3.17 2.96 -1.26 -4.36 118.68 118.65 2jir s LEU 76 Ca 0.66 0.68 0.04 0.00 -0.22 0.00 0.00 54.13 55.29 2jir s LEU 76 Cb -0.19 -2.62 -0.03 0.00 0.50 0.00 0.00 46.19 43.85 2jir s LEU 76 CO 0.41 -0.05 -0.12 -1.83 -1.32 0.00 0.00 176.35 173.44 2jir s GLU 77 N 1.00 0.72 0.39 1.98 -1.05 0.15 -4.87 118.70 117.01 2jir s GLU 77 Ca 0.23 -0.89 -0.27 0.00 -0.15 0.00 0.00 54.97 53.89 2jir s GLU 77 Cb -0.15 -0.65 -0.11 0.00 -0.44 0.00 0.00 34.13 32.78 2jir s GLU 77 CO 0.09 0.14 1.29 -2.30 0.95 0.00 0.00 175.26 175.43 2jir n PRO 78 N 1.34 2.05 -3.83 -4.83 -0.02 -1.26 -0.49 135.00 127.96 2jir n PRO 78 Ca -0.22 0.73 -0.12 0.00 -2.02 0.00 0.00 63.50 61.87 2jir n PRO 78 Cb 0.54 -2.38 -0.10 0.00 -0.02 0.00 0.00 33.50 31.54 2jir n PRO 78 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2jir s VAL 79 N -1.15 0.06 0.79 -1.45 0.11 -0.73 -4.77 120.40 113.25 2jir s VAL 79 Ca 0.58 -0.48 -0.11 0.00 -2.93 0.00 0.00 61.98 59.04 2jir s VAL 79 Cb -0.53 -0.44 0.07 0.00 -1.53 0.00 0.00 36.38 33.95 2jir s VAL 79 CO 0.60 -0.27 1.09 -0.55 -3.33 0.00 0.00 175.10 172.64 2jir s SER 80 N -1.03 4.39 0.09 3.54 0.15 -1.26 -4.03 113.70 115.56 2jir s SER 80 Ca -0.11 1.64 -0.21 0.00 0.70 0.00 0.00 55.95 57.97 2jir s SER 80 Cb -0.06 -2.37 -0.10 0.00 -1.71 0.00 0.00 66.02 61.78 2jir s SER 80 CO 0.02 -2.08 1.66 -0.50 1.20 0.00 0.00 173.24 173.54 2jir h TRP 81 N -1.16 0.21 -0.53 3.44 4.06 -1.98 -0.80 115.95 119.19 2jir h TRP 81 Ca -0.45 -0.01 0.02 0.00 2.06 0.00 0.00 58.89 60.50 2jir h TRP 81 Cb 1.25 -0.07 -0.03 0.00 -1.00 0.00 0.00 29.16 29.31 2jir h TRP 81 CO 0.53 0.25 0.33 -0.44 -3.56 0.00 0.00 178.44 175.56 2jir h ASP 82 N 0.11 0.55 -0.11 -3.49 5.19 -1.99 0.15 116.42 116.83 2jir h ASP 82 Ca 0.05 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 2jir h ASP 82 Cb 0.12 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 2jir h ASP 82 CO -0.01 0.39 0.07 -0.08 -3.12 0.00 0.00 179.24 176.49 2jir h GLU 83 N 0.66 0.15 -0.82 3.56 4.81 -1.92 -1.64 114.58 119.38 2jir h GLU 83 Ca 0.21 -0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.54 2jir h GLU 83 Cb -0.01 -0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.26 2jir h GLU 83 CO -0.08 0.12 0.45 0.00 -0.73 0.00 0.00 179.01 178.77 2jir h ALA 84 N 1.02 1.19 -0.06 2.92 0.00 -0.66 -0.78 119.26 122.89 2jir h ALA 84 Ca 0.04 0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 2jir h ALA 84 Cb 0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2jir h ALA 84 CO -0.01 0.02 -0.74 -0.07 0.00 0.00 0.00 179.25 178.46 2jir h LEU 85 N 0.72 0.42 -0.26 0.00 3.38 -0.55 -2.00 115.31 117.02 2jir h LEU 85 Ca 0.42 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 2jir h LEU 85 Cb 0.46 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2jir h LEU 85 CO -0.29 1.02 -0.18 0.44 0.09 0.00 0.00 178.44 179.52 2jir h ASP 86 N 0.24 0.60 -0.71 -0.43 3.45 -0.96 0.11 116.42 118.72 2jir h ASP 86 Ca -0.03 -0.44 0.02 0.00 0.43 0.00 0.00 57.03 57.01 2jir h ASP 86 Cb 1.31 -0.17 -0.04 0.00 -0.56 0.00 0.00 39.33 39.87 2jir h ASP 86 CO 0.12 0.91 0.46 0.25 -1.57 0.00 0.00 179.24 179.42 2jir h LEU 87 N 0.30 0.78 0.36 1.55 5.85 -1.16 0.29 115.31 123.27 2jir h LEU 87 Ca 0.05 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 2jir h LEU 87 Cb 0.71 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.56 2jir h LEU 87 CO 0.05 0.55 -0.17 -0.03 -0.34 0.00 0.00 178.44 178.50 2jir h MET 88 N 0.92 -0.46 -0.48 1.25 4.05 -1.19 -1.94 114.93 117.09 2jir h MET 88 Ca 0.27 0.03 0.05 0.00 -0.28 0.00 0.00 59.70 59.78 2jir h MET 88 Cb -0.05 0.11 -0.05 0.00 -0.80 0.00 0.00 31.60 30.80 2jir h MET 88 CO -0.08 -0.19 0.21 0.00 0.23 0.00 0.00 176.91 177.08 2jir h ALA 89 N -0.16 0.60 -0.20 0.39 0.00 -0.64 -2.44 119.26 116.80 2jir h ALA 89 Ca -0.05 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 2jir h ALA 89 Cb 0.49 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2jir h ALA 89 CO 0.08 -0.16 -0.40 0.66 0.00 0.00 0.00 179.25 179.43 2jir h SER 90 N 0.41 0.49 -0.15 0.00 4.64 -0.42 -0.91 113.55 117.62 2jir h SER 90 Ca 0.22 -0.21 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 2jir h SER 90 Cb 0.18 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2jir h SER 90 CO -0.19 0.84 -0.43 0.03 -0.87 0.00 0.00 176.83 176.21 2jir h ARG 91 N 0.39 0.55 -0.20 4.77 2.47 -1.25 -1.69 114.38 119.42 2jir h ARG 91 Ca 0.04 -0.40 -0.05 0.00 -1.26 0.00 0.00 59.98 58.31 2jir h ARG 91 Cb 0.87 0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 29.25 2jir h ARG 91 CO 0.07 1.02 -0.09 0.74 0.56 0.00 0.00 179.97 182.27 2jir h PHE 92 N 0.18 0.47 -0.91 3.04 0.04 -1.43 -1.62 116.94 116.71 2jir h PHE 92 Ca -0.01 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.63 2jir h PHE 92 Cb 1.05 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 39.05 2jir h PHE 92 CO 0.10 0.69 0.51 -0.09 -0.60 0.00 0.00 178.31 178.93 2jir h ARG 93 N 0.11 1.26 -0.61 1.51 9.65 -1.22 -1.93 114.38 123.14 2jir h ARG 93 Ca 0.05 -0.14 -0.09 0.00 -1.10 0.00 0.00 59.98 58.69 2jir h ARG 93 Cb 0.56 -0.25 -0.02 0.00 -1.39 0.00 0.00 29.97 28.87 2jir h ARG 93 CO 0.03 0.91 0.01 1.03 2.80 0.00 0.00 179.97 184.75 2jir h SER 94 N 1.27 1.04 -0.37 -3.80 0.87 -1.26 -1.13 113.55 110.17 2jir h SER 94 Ca 0.32 -0.29 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2jir h SER 94 Cb 0.00 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.67 2jir h SER 94 CO -0.05 1.09 0.22 -1.28 -0.53 0.00 0.00 176.83 176.27 2jir h SER 95 N 0.98 0.45 0.77 6.23 0.87 -0.98 -1.53 113.55 120.33 2jir h SER 95 Ca 0.18 -0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 2jir h SER 95 Cb 0.54 -0.11 0.01 0.00 -0.44 0.00 0.00 62.40 62.40 2jir h SER 95 CO 0.03 0.37 -0.37 0.40 -0.53 0.00 0.00 176.83 176.73 2jir h ILE 96 N 0.48 0.00 -0.70 2.23 2.04 -1.23 0.10 117.51 120.44 2jir h ILE 96 Ca 0.13 -0.14 0.24 0.00 1.00 0.00 0.00 64.86 66.10 2jir h ILE 96 Cb 0.01 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 35.96 2jir h ILE 96 CO -0.02 0.00 0.19 0.47 0.00 0.00 0.00 178.15 178.79 2jir n ASP 97 N -5.15 0.08 -0.06 1.72 8.00 -0.44 0.86 116.55 121.56 2jir n ASP 97 Ca -0.13 1.17 -0.22 0.00 0.71 0.00 0.00 54.79 56.33 2jir n ASP 97 Cb 0.41 -0.50 -0.12 0.00 -0.02 0.00 0.00 41.12 40.88 2jir n ASP 97 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 2jir h MET 98 N 0.00 0.10 0.00 -1.24 2.86 -1.10 -3.43 114.93 112.12 2jir h MET 98 Ca 0.51 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 2jir h MET 98 Cb 1.22 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.94 2jir h MET 98 CO -0.60 1.08 0.00 0.66 1.06 0.00 0.00 176.91 179.12 2jir n TYR 99 N -4.10 0.00 0.00 -0.22 4.01 0.34 -5.10 117.16 112.09 2jir n TYR 99 Ca -0.31 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.43 2jir n TYR 99 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.84 2jir n TYR 99 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jir n GLY 100 N 0.30 0.06 0.48 2.72 0.00 0.25 -4.54 105.19 104.45 2jir n GLY 100 Ca 0.00 -1.66 0.31 0.00 0.00 0.00 0.00 46.02 44.67 2jir n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jir h PRO 101 N 0.00 0.16 0.00 1.61 0.13 -1.82 -1.83 132.00 130.26 2jir h PRO 101 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2jir h PRO 101 Cb 0.00 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.09 2jir h PRO 101 CO 0.00 0.11 0.00 0.09 -0.23 0.00 0.00 178.00 177.97 2jir n ASN 102 N -4.42 0.00 0.05 1.44 3.02 -1.26 -2.41 115.26 111.68 2jir n ASN 102 Ca 0.28 -0.21 0.12 0.00 -0.03 0.00 0.00 54.58 54.73 2jir n ASN 102 Cb 1.15 -0.19 0.47 0.00 -0.61 0.00 0.00 39.78 40.60 2jir n ASN 102 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2jir n SER 103 N -1.19 0.32 -4.53 6.41 3.41 -0.69 -4.63 113.62 112.73 2jir n SER 103 Ca 0.11 0.55 -0.24 0.00 -0.26 0.00 0.00 58.87 59.03 2jir n SER 103 Cb 0.13 -0.63 -0.10 0.00 -0.26 0.00 0.00 64.21 63.35 2jir n SER 103 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2jir s VAL 104 N -3.09 2.55 0.03 -3.33 -7.23 -1.01 0.77 120.40 109.10 2jir s VAL 104 Ca 0.09 -2.25 -0.25 0.00 -1.81 0.00 0.00 61.98 57.77 2jir s VAL 104 Cb 0.13 -2.51 0.06 0.00 0.56 0.00 0.00 36.38 34.62 2jir s VAL 104 CO 0.45 -0.32 0.57 0.00 -0.31 0.00 0.00 175.10 175.49 2jir s ALA 105 N -2.51 -1.48 -0.13 1.32 0.00 -0.62 -4.66 121.76 113.68 2jir s ALA 105 Ca 0.31 0.78 0.02 0.00 0.00 0.00 0.00 51.96 53.07 2jir s ALA 105 Cb -0.03 0.34 -0.01 0.00 0.00 0.00 0.00 23.12 23.43 2jir s ALA 105 CO 0.16 -0.50 -0.18 -0.46 0.00 0.00 0.00 175.76 174.79 2jir s TRP 106 N -2.25 2.71 -0.34 0.00 -0.11 -0.36 -1.59 118.94 117.00 2jir s TRP 106 Ca -0.06 -0.91 0.03 0.00 1.22 0.00 0.00 56.10 56.37 2jir s TRP 106 Cb -0.01 -1.80 0.10 0.00 -1.50 0.00 0.00 33.47 30.26 2jir s TRP 106 CO 0.00 -0.37 0.07 -0.47 -4.62 0.00 0.00 176.95 171.57 2jir s TYR 107 N 0.47 3.26 0.00 5.86 5.04 0.16 -1.91 117.35 130.23 2jir s TYR 107 Ca -0.12 -2.72 0.00 0.00 -2.44 0.00 0.00 57.07 51.78 2jir s TYR 107 Cb -0.16 -2.64 0.00 0.00 0.35 0.00 0.00 41.96 39.51 2jir s TYR 107 CO 0.05 -0.92 0.00 0.41 -1.34 0.00 0.00 175.55 173.75 2jir n GLY 108 N 4.33 3.83 3.63 8.97 0.00 0.01 -1.78 105.19 124.18 2jir n GLY 108 Ca 0.03 -1.77 -0.12 0.00 0.00 0.00 0.00 46.02 44.16 2jir n GLY 108 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jir s SER 109 N 0.20 -0.79 0.00 1.61 0.15 -1.25 -1.98 113.70 111.63 2jir s SER 109 Ca 0.00 1.45 0.05 0.00 0.70 0.00 0.00 55.95 58.15 2jir s SER 109 Cb 0.00 1.44 0.32 0.00 -1.71 0.00 0.00 66.02 66.07 2jir s SER 109 CO 0.00 -0.24 0.70 0.61 1.20 0.00 0.00 173.24 175.51 2jir n GLY 110 N 3.10 -0.28 0.01 9.45 0.00 -1.26 -2.29 105.19 113.91 2jir n GLY 110 Ca -0.16 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 45.92 2jir n GLY 110 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jir n GLN 111 N -0.80 0.68 -1.82 1.61 6.02 -1.26 0.28 117.38 122.08 2jir n GLN 111 Ca 0.04 -0.13 -0.37 0.00 -0.01 0.00 0.00 57.00 56.53 2jir n GLN 111 Cb 0.02 -1.39 0.05 0.00 1.02 0.00 0.00 30.24 29.94 2jir n GLN 111 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jir s LEU 113 N -4.09 3.23 0.43 0.00 1.43 -1.26 -4.81 118.68 113.60 2jir s LEU 113 Ca 0.79 2.07 0.10 0.00 -1.03 0.00 0.00 54.13 56.05 2jir s LEU 113 Cb -0.36 -4.56 0.92 0.00 0.03 0.00 0.00 46.19 42.22 2jir s LEU 113 CO 0.40 -2.05 2.03 0.74 0.23 0.00 0.00 176.35 177.70 2jir h THR 114 N -0.53 1.11 -0.32 5.49 2.02 -1.64 -1.82 112.91 117.21 2jir h THR 114 Ca -0.46 -0.37 -0.15 0.00 0.77 0.00 0.00 66.41 66.20 2jir h THR 114 Cb 1.26 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 2jir h THR 114 CO 0.51 0.13 -0.41 -0.33 0.37 0.00 0.00 175.52 175.79 2jir h GLU 115 N 0.31 0.79 -0.23 6.66 3.07 -1.91 -1.68 114.58 121.60 2jir h GLU 115 Ca 0.08 -0.42 -0.03 0.00 -0.50 0.00 0.00 59.36 58.48 2jir h GLU 115 Cb 0.11 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 2jir h GLU 115 CO -0.00 1.05 0.01 0.93 -1.40 0.00 0.00 179.01 179.60 2jir h GLU 116 N 0.64 0.39 -0.13 2.33 5.08 -1.70 -1.80 114.58 119.39 2jir h GLU 116 Ca 0.05 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 2jir h GLU 116 Cb 0.98 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 2jir h GLU 116 CO 0.09 0.56 -0.29 0.77 -1.00 0.00 0.00 179.01 179.15 2jir h SER 117 N 0.17 0.24 -0.18 1.42 0.02 -1.51 -1.52 113.55 112.18 2jir h SER 117 Ca 0.07 -0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 2jir h SER 117 Cb 0.38 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 2jir h SER 117 CO 0.01 0.53 -0.07 0.22 -1.14 0.00 0.00 176.83 176.38 2jir h TYR 118 N 0.21 0.41 -0.27 3.45 5.03 -1.16 -1.96 116.97 122.69 2jir h TYR 118 Ca 0.03 -0.10 -0.03 0.00 2.58 0.00 0.00 58.73 61.22 2jir h TYR 118 Cb 0.62 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.80 2jir h TYR 118 CO 0.01 0.65 0.07 0.28 -1.32 0.00 0.00 178.16 177.85 2jir h VAL 119 N 0.05 1.21 -0.91 1.81 2.07 -1.16 -2.32 116.25 117.01 2jir h VAL 119 Ca 0.04 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 2jir h VAL 119 Cb 0.54 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 2jir h VAL 119 CO 0.02 0.23 0.51 0.00 0.02 0.00 0.00 177.57 178.35 2jir h ALA 120 N 0.89 1.17 -0.61 1.67 0.00 -1.31 0.06 119.26 121.13 2jir h ALA 120 Ca 0.08 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2jir h ALA 120 Cb 0.28 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2jir h ALA 120 CO 0.00 0.67 0.16 -0.97 0.00 0.00 0.00 179.25 179.11 2jir h ASN 121 N 1.28 0.92 -0.14 0.00 -0.00 -1.31 -2.18 115.58 114.15 2jir h ASN 121 Ca 0.32 -0.23 -0.06 0.00 -0.00 0.00 0.00 56.30 56.34 2jir h ASN 121 Cb 0.01 -0.24 -0.00 0.00 -0.00 0.00 0.00 38.32 38.09 2jir h ASN 121 CO -0.05 0.91 -0.14 0.50 -0.00 0.00 0.00 177.43 178.65 2jir h LYS 122 N 0.89 0.34 -0.27 6.67 3.64 -1.06 -0.38 116.57 126.40 2jir h LYS 122 Ca 0.19 -0.18 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 2jir h LYS 122 Cb 0.34 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.11 2jir h LYS 122 CO 0.00 0.73 -0.09 0.82 -2.27 0.00 0.00 179.45 178.64 2jir h ILE 123 N -0.03 0.68 0.20 2.00 2.04 -0.97 0.17 117.51 121.59 2jir h ILE 123 Ca 0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 2jir h ILE 123 Cb 0.67 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 2jir h ILE 123 CO 0.03 0.00 -0.10 -0.26 0.00 0.00 0.00 178.15 177.83 2jir h PHE 124 N -0.04 -0.25 -0.07 1.37 0.04 -1.41 0.12 116.94 116.70 2jir h PHE 124 Ca 0.13 -0.01 -0.24 0.00 2.80 0.00 0.00 57.97 60.66 2jir h PHE 124 Cb 0.24 0.08 0.01 0.00 2.20 0.00 0.00 35.95 38.49 2jir h PHE 124 CO -0.29 0.16 -0.92 0.87 -0.60 0.00 0.00 178.31 177.54 2jir h LYS 125 N -0.85 0.71 0.00 1.51 1.57 -0.85 -1.50 116.57 117.15 2jir h LYS 125 Ca -0.03 -0.67 -0.22 0.00 -1.87 0.00 0.00 60.65 57.86 2jir h LYS 125 Cb 0.52 0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.95 2jir h LYS 125 CO 0.04 1.27 -2.07 0.41 -0.57 0.00 0.00 179.45 178.53 2jir n GLY 126 N 0.89 -1.04 0.05 3.86 0.00 0.48 -3.75 105.19 105.68 2jir n GLY 126 Ca -0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 46.02 45.57 2jir n GLY 126 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2jir h GLY 127 N 3.93 0.00 2.00 -0.02 0.00 0.03 -3.41 103.07 105.60 2jir h GLY 127 Ca -0.31 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.88 2jir h GLY 127 CO 0.03 0.00 -0.68 0.74 0.00 0.00 0.00 176.54 176.63 2jir h PHE 128 N -0.71 0.00 0.00 5.60 0.05 -0.39 -3.48 116.94 118.00 2jir h PHE 128 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 2jir h PHE 128 Cb 0.24 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.19 2jir h PHE 128 CO -0.10 0.68 0.00 0.41 -0.18 0.00 0.00 178.31 179.11 2jir n GLY 129 N 1.23 0.81 3.25 -1.45 0.00 -0.61 -4.61 105.19 103.81 2jir n GLY 129 Ca 0.01 -0.64 -0.28 0.00 0.00 0.00 0.00 46.02 45.11 2jir n GLY 129 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2jir s THR 130 N -2.00 1.74 -1.09 2.61 -1.32 -0.99 -4.35 115.64 110.24 2jir s THR 130 Ca 0.00 -1.03 0.15 0.00 -1.21 0.00 0.00 61.69 59.60 2jir s THR 130 Cb 0.00 -1.46 0.62 0.00 -1.51 0.00 0.00 72.50 70.15 2jir s THR 130 CO 0.00 0.41 1.50 0.59 -2.21 0.00 0.00 174.62 174.91 2jir n ASN 131 N 2.31 4.23 -3.66 8.08 3.02 -1.26 -2.72 115.26 125.26 2jir n ASN 131 Ca -0.16 -2.44 -0.43 0.00 -0.03 0.00 0.00 54.58 51.53 2jir n ASN 131 Cb 0.53 -0.55 -0.06 0.00 -0.61 0.00 0.00 39.78 39.08 2jir n ASN 131 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2jir n ASN 132 N 0.87 2.37 -3.81 6.41 5.03 -1.26 -3.08 115.26 121.79 2jir n ASN 132 Ca 0.22 -2.66 -0.25 0.00 0.87 0.00 0.00 54.58 52.76 2jir n ASN 132 Cb 0.81 -1.08 -0.17 0.00 -1.02 0.00 0.00 39.78 38.32 2jir n ASN 132 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2jir s VAL 133 N 5.58 0.62 0.12 2.41 1.01 -1.26 -1.22 120.40 127.66 2jir s VAL 133 Ca 0.59 -0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.42 2jir s VAL 133 Cb 0.14 -0.80 0.01 0.00 0.00 0.00 0.00 36.38 35.73 2jir s VAL 133 CO 0.15 0.21 0.19 -0.67 0.00 0.00 0.00 175.10 174.97 2jir n ASP 134 N 5.06 -0.52 -3.87 3.32 4.64 -0.80 0.40 116.55 124.77 2jir n ASP 134 Ca -0.09 -1.64 0.04 0.00 -1.38 0.00 0.00 54.79 51.72 2jir n ASP 134 Cb 0.49 0.95 0.01 0.00 -1.04 0.00 0.00 41.12 41.53 2jir n ASP 134 CO 0.00 0.00 0.00 -0.83 -0.82 0.00 0.00 177.20 175.55 2jir s GLY 135 N -1.75 -0.29 0.24 0.27 0.00 -1.26 -0.81 107.32 103.72 2jir s GLY 135 Ca 0.09 0.38 0.24 0.00 0.00 0.00 0.00 44.72 45.44 2jir s GLY 135 CO 0.07 4.86 1.72 1.16 0.00 0.00 0.00 173.10 180.91 2jir n ASN 136 N -0.86 0.67 0.30 1.64 0.23 -0.84 -1.65 115.26 114.76 2jir n ASN 136 Ca 0.02 0.64 0.19 0.00 -0.53 0.00 0.00 54.58 54.90 2jir n ASN 136 Cb 0.60 -0.79 0.95 0.00 -2.08 0.00 0.00 39.78 38.46 2jir n ASN 136 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 2jir h PRO 137 N 0.00 0.00 -0.81 -0.53 0.11 -1.95 0.16 132.00 128.99 2jir h PRO 137 Ca 0.00 0.00 0.23 0.00 0.11 0.00 0.00 66.00 66.34 2jir h PRO 137 Cb 0.43 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.51 2jir h PRO 137 CO 0.00 0.02 0.58 -0.09 -0.21 0.00 0.00 178.00 178.30 2jir h ARG 138 N 0.00 0.00 -0.01 1.05 9.65 -1.71 0.66 114.38 124.02 2jir h ARG 138 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2jir h ARG 138 Cb 0.22 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.80 2jir h ARG 138 CO 0.00 0.00 -0.10 1.28 2.80 0.00 0.00 179.97 183.95 2jir n LEU 139 N -4.29 0.74 0.01 3.80 4.77 0.57 -3.95 117.00 118.65 2jir n LEU 139 Ca 0.16 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2jir n LEU 139 Cb 0.88 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.86 2jir n LEU 139 CO 0.38 0.13 0.00 0.00 -1.33 0.00 0.00 177.39 176.58 2jir n MET 141 N -2.54 1.40 0.23 0.00 2.81 0.20 -4.50 117.12 114.72 2jir n MET 141 Ca 0.00 -1.15 0.07 0.00 -1.81 0.00 0.00 57.70 54.82 2jir n MET 141 Cb 0.00 -1.48 0.56 0.00 -0.71 0.00 0.00 33.22 31.60 2jir n MET 141 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2jir h ALA 142 N 4.03 1.53 -0.05 3.04 0.00 -1.73 -1.39 119.26 124.70 2jir h ALA 142 Ca 0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 2jir h ALA 142 Cb 0.79 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2jir h ALA 142 CO 0.00 0.23 -0.48 0.77 0.00 0.00 0.00 179.25 179.76 2jir h SER 143 N 0.00 0.13 0.86 0.00 0.02 -1.82 -2.00 113.55 110.73 2jir h SER 143 Ca -0.00 -0.06 -0.22 0.00 -0.84 0.00 0.00 61.79 60.67 2jir h SER 143 Cb 0.36 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 2jir h SER 143 CO 0.02 0.59 -1.03 0.00 -1.14 0.00 0.00 176.83 175.28 2jir h ALA 144 N 1.41 0.33 0.09 3.77 0.00 -1.58 -0.32 119.26 122.97 2jir h ALA 144 Ca 0.00 -0.87 -0.00 0.00 0.00 0.00 0.00 54.91 54.03 2jir h ALA 144 Cb 0.89 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2jir h ALA 144 CO 0.07 1.14 -0.04 0.28 0.00 0.00 0.00 179.25 180.69 2jir h VAL 145 N 0.03 1.02 -0.40 0.00 2.07 -1.26 -0.53 116.25 117.18 2jir h VAL 145 Ca -0.04 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 67.11 2jir h VAL 145 Cb 1.77 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 32.79 2jir h VAL 145 CO 0.15 0.10 0.13 1.23 0.02 0.00 0.00 177.57 179.20 2jir h GLY 146 N -0.31 0.51 1.00 2.17 0.00 -1.28 0.22 103.07 105.37 2jir h GLY 146 Ca -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 2jir h GLY 146 CO 0.02 0.02 0.37 -1.33 0.00 0.00 0.00 176.54 175.61 2jir h GLY 147 N 0.28 0.95 1.39 4.60 0.00 -1.00 0.71 103.07 110.01 2jir h GLY 147 Ca 0.19 -0.42 -0.15 0.00 0.00 0.00 0.00 47.33 46.95 2jir h GLY 147 CO -0.20 0.40 -0.45 -0.97 0.00 0.00 0.00 176.54 175.33 2jir h TYR 148 N 0.88 0.80 -0.02 5.60 0.99 -0.67 -2.19 116.97 122.35 2jir h TYR 148 Ca 0.23 -0.25 -0.18 0.00 2.00 0.00 0.00 58.73 60.53 2jir h TYR 148 Cb 0.02 -0.16 0.01 0.00 1.00 0.00 0.00 36.73 37.60 2jir h TYR 148 CO -0.01 0.99 -0.70 0.28 -0.00 0.00 0.00 178.16 178.71 2jir h VAL 149 N 0.53 1.38 -0.17 -2.88 2.07 -0.35 -0.85 116.25 115.98 2jir h VAL 149 Ca 0.03 -2.09 -0.15 0.00 0.82 0.00 0.00 66.70 65.32 2jir h VAL 149 Cb 0.99 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 33.23 2jir h VAL 149 CO 0.09 0.62 -0.51 0.71 0.02 0.00 0.00 177.57 178.50 2jir h THR 150 N 0.06 1.33 0.12 2.57 1.35 -0.91 0.15 112.91 117.57 2jir h THR 150 Ca -0.08 -1.75 -0.27 0.00 -0.55 0.00 0.00 66.41 63.75 2jir h THR 150 Cb 1.39 1.75 0.01 0.00 -1.73 0.00 0.00 68.15 69.57 2jir h THR 150 CO 0.14 0.54 -1.21 0.28 -0.25 0.00 0.00 175.52 175.02 2jir h SER 151 N 0.38 0.52 0.00 5.36 0.02 -1.47 -3.42 113.55 114.94 2jir h SER 151 Ca 0.01 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 2jir h SER 151 Cb 1.03 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.40 2jir h SER 151 CO 0.09 1.39 -0.40 0.49 -1.14 0.00 0.00 176.83 177.26 2jir n PHE 152 N -3.61 0.00 -0.11 3.45 3.01 -0.33 -0.98 117.46 118.89 2jir n PHE 152 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 2jir n PHE 152 Cb 0.99 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.46 2jir n PHE 152 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jir n GLY 153 N 1.32 1.50 3.09 1.37 0.00 0.52 -3.72 105.19 109.27 2jir n GLY 153 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2jir n GLY 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jir s LYS 154 N -0.44 0.50 0.68 1.61 -0.14 -1.25 -4.68 119.74 116.02 2jir s LYS 154 Ca 0.00 -0.56 -0.09 0.00 -1.36 0.00 0.00 55.97 53.96 2jir s LYS 154 Cb 0.00 0.20 0.02 0.00 -1.68 0.00 0.00 37.83 36.37 2jir s LYS 154 CO 0.00 -0.12 1.03 0.34 -0.76 0.00 0.00 175.35 175.84 2jir s ASP 155 N -1.68 5.32 0.00 2.83 2.15 -1.26 -3.75 116.67 120.28 2jir s ASP 155 Ca -0.11 0.87 0.00 0.00 0.43 0.00 0.00 52.55 53.74 2jir s ASP 155 Cb -0.06 -1.69 0.00 0.00 -0.30 0.00 0.00 42.92 40.88 2jir s ASP 155 CO -0.01 -1.34 0.00 -0.62 -0.17 0.00 0.00 175.17 173.03 2jir n GLU 156 N -2.89 0.00 -1.07 4.34 -0.58 -1.26 -4.97 120.64 114.22 2jir n GLU 156 Ca 0.06 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.45 2jir n GLU 156 Cb 0.58 0.00 0.09 0.00 -0.57 0.00 0.00 31.44 31.54 2jir n GLU 156 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 2jir n PRO 157 N -0.76 0.05 -0.00 3.49 -0.02 -1.26 -4.95 135.00 131.55 2jir n PRO 157 Ca 0.00 0.06 0.09 0.00 -2.02 0.00 0.00 63.50 61.63 2jir n PRO 157 Cb 0.00 -1.82 -0.12 0.00 -0.02 0.00 0.00 33.50 31.54 2jir n PRO 157 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jir n MET 158 N -1.05 0.79 -0.17 -0.52 0.00 -1.26 -4.96 117.12 109.96 2jir n MET 158 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 57.70 57.74 2jir n MET 158 Cb 0.52 -1.40 0.00 0.00 0.00 0.00 0.00 33.22 32.34 2jir n MET 158 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2jir n GLY 159 N 1.43 2.35 3.49 3.17 0.00 -1.26 -2.31 105.19 112.05 2jir n GLY 159 Ca 0.02 -2.05 -0.14 0.00 0.00 0.00 0.00 46.02 43.84 2jir n GLY 159 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jir s THR 160 N 1.75 0.00 0.48 2.61 -4.23 -1.26 -4.89 115.64 110.10 2jir s THR 160 Ca 0.00 -1.60 0.13 0.00 -1.18 0.00 0.00 61.69 59.05 2jir s THR 160 Cb 0.00 -2.58 0.24 0.00 1.34 0.00 0.00 72.50 71.50 2jir s THR 160 CO 0.00 0.00 2.09 1.88 -0.54 0.00 0.00 174.62 178.05 2jir h TYR 161 N 2.15 0.12 -0.46 3.99 0.99 -1.95 -2.34 116.97 119.47 2jir h TYR 161 Ca -0.28 -0.00 0.11 0.00 2.00 0.00 0.00 58.73 60.56 2jir h TYR 161 Cb 1.24 -0.04 -0.02 0.00 1.00 0.00 0.00 36.73 38.91 2jir h TYR 161 CO 1.30 0.12 0.32 0.00 -0.00 0.00 0.00 178.16 179.90 2jir h ALA 162 N 1.89 2.27 0.00 3.88 0.00 -1.99 -0.29 119.26 125.03 2jir h ALA 162 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2jir h ALA 162 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2jir h ALA 162 CO -0.00 -0.39 0.16 -0.44 0.00 0.00 0.00 179.25 178.57 2jir h ASP 163 N 0.12 0.00 -0.57 0.00 3.32 -1.82 -1.92 116.42 115.55 2jir h ASP 163 Ca 0.22 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 2jir h ASP 163 Cb 0.70 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.23 2jir h ASP 163 CO -0.03 0.00 0.28 0.40 -1.72 0.00 0.00 179.24 178.17 2jir h ILE 164 N 0.00 1.20 0.00 0.35 2.04 -1.23 -1.85 117.51 118.02 2jir h ILE 164 Ca 0.00 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.29 2jir h ILE 164 Cb 0.31 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 2jir h ILE 164 CO 0.00 0.23 0.00 0.47 0.00 0.00 0.00 178.15 178.85 2jir n ASP 165 N -4.55 0.00 0.00 1.72 8.00 -0.72 -3.16 116.55 117.84 2jir n ASP 165 Ca 0.03 0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.83 2jir n ASP 165 Cb 0.12 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 2jir n ASP 165 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jir n GLN 166 N -1.34 2.95 -0.92 -1.24 6.02 -0.98 -5.04 117.38 116.83 2jir n GLN 166 Ca 0.02 -0.02 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 2jir n GLN 166 Cb 0.04 -0.28 0.14 0.00 1.02 0.00 0.00 30.24 31.16 2jir n GLN 166 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jir s ALA 167 N -0.43 1.76 0.00 -1.58 0.00 -0.73 -4.52 121.76 116.26 2jir s ALA 167 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.47 2jir s ALA 167 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.72 2jir s ALA 167 CO 0.00 -2.39 0.05 2.41 0.00 0.00 0.00 175.76 175.83 2jir n THR 168 N -3.91 0.00 -3.74 0.00 -1.04 0.12 -4.96 114.28 100.75 2jir n THR 168 Ca 0.11 -0.16 -0.12 0.00 -2.04 0.00 0.00 64.05 61.84 2jir n THR 168 Cb 0.52 1.22 -0.11 0.00 -1.82 0.00 0.00 70.33 70.14 2jir n THR 168 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jir s PHE 170 N 0.57 2.51 -0.35 0.00 0.40 0.53 -1.31 117.98 120.34 2jir s PHE 170 Ca -0.03 -1.08 -0.02 0.00 -0.60 0.00 0.00 56.93 55.20 2jir s PHE 170 Cb -0.05 -1.69 0.07 0.00 0.51 0.00 0.00 43.02 41.87 2jir s PHE 170 CO -0.03 -0.45 0.09 0.12 0.70 0.00 0.00 175.22 175.65 2jir s PHE 171 N 0.46 3.41 -0.35 0.36 5.36 -0.72 -0.99 117.98 125.51 2jir s PHE 171 Ca -0.16 -2.09 -0.02 0.00 -0.96 0.00 0.00 56.93 53.70 2jir s PHE 171 Cb -0.17 -2.60 0.08 0.00 -0.34 0.00 0.00 43.02 39.98 2jir s PHE 171 CO 0.06 -0.87 0.09 0.42 -1.46 0.00 0.00 175.22 173.46 2jir s ILE 172 N 1.21 3.04 -0.04 3.12 1.01 0.04 -1.27 121.20 128.31 2jir s ILE 172 Ca 0.01 -1.75 0.05 0.00 0.00 0.00 0.00 60.65 58.96 2jir s ILE 172 Cb -0.21 -2.93 -0.01 0.00 0.01 0.00 0.00 42.46 39.32 2jir s ILE 172 CO -0.02 -0.39 -0.20 -0.51 0.00 0.00 0.00 174.94 173.81 2jir s ILE 173 N 1.17 1.63 -1.31 2.92 2.07 -0.31 -0.27 121.20 127.12 2jir s ILE 173 Ca 0.02 -0.85 -0.05 0.00 -1.41 0.00 0.00 60.65 58.37 2jir s ILE 173 Cb -0.21 -1.38 0.01 0.00 0.13 0.00 0.00 42.46 41.00 2jir s ILE 173 CO -0.03 0.46 0.63 0.61 -1.91 0.00 0.00 174.94 174.70 2jir n GLY 174 N 2.93 -0.35 3.11 1.50 0.00 -0.72 -3.36 105.19 108.30 2jir n GLY 174 Ca -0.17 0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 2jir n GLY 174 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jir s SER 175 N -2.86 -0.14 -1.01 1.61 0.15 -1.26 -0.62 113.70 109.57 2jir s SER 175 Ca 0.31 0.66 -0.04 0.00 0.70 0.00 0.00 55.95 57.58 2jir s SER 175 Cb -0.14 0.65 0.27 0.00 -1.71 0.00 0.00 66.02 65.09 2jir s SER 175 CO 0.39 -0.20 1.09 -3.20 1.20 0.00 0.00 173.24 172.52 2jir n ASN 176 N 4.66 5.24 -0.19 5.45 4.05 -1.26 -4.92 115.26 128.29 2jir n ASN 176 Ca -0.18 -3.19 -0.07 0.00 0.45 0.00 0.00 54.58 51.59 2jir n ASN 176 Cb 0.52 -1.20 0.03 0.00 1.23 0.00 0.00 39.78 40.35 2jir n ASN 176 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 177.26 174.95 2jir h THR 177 N 3.66 1.18 -0.40 -0.44 2.02 -1.95 0.17 112.91 117.14 2jir h THR 177 Ca 0.18 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 2jir h THR 177 Cb 0.77 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 2jir h THR 177 CO 1.04 0.18 0.17 0.77 0.37 0.00 0.00 175.52 178.06 2jir h SER 178 N 0.74 0.51 0.66 4.18 4.64 -1.91 0.66 113.55 123.03 2jir h SER 178 Ca 0.20 -0.05 -0.19 0.00 -0.47 0.00 0.00 61.79 61.28 2jir h SER 178 Cb 0.02 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 61.95 2jir h SER 178 CO -0.03 0.45 -1.47 -0.62 -0.87 0.00 0.00 176.83 174.29 2jir n GLU 179 N -4.39 0.62 -0.05 4.77 1.02 -1.00 -4.04 120.64 117.57 2jir n GLU 179 Ca 0.03 0.23 -0.02 0.00 -0.02 0.00 0.00 57.16 57.38 2jir n GLU 179 Cb 0.13 -1.80 -0.12 0.00 -0.02 0.00 0.00 31.44 29.63 2jir n GLU 179 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jir n ALA 180 N -2.42 1.98 -3.21 0.62 0.00 0.58 -4.26 120.51 113.79 2jir n ALA 180 Ca -0.11 -0.78 -0.23 0.00 0.00 0.00 0.00 53.44 52.32 2jir n ALA 180 Cb 0.88 -0.24 -0.06 0.00 0.00 0.00 0.00 19.45 20.02 2jir n ALA 180 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2jir n HIS 181 N -2.38 0.26 -0.09 0.00 8.25 0.23 -4.80 115.22 116.69 2jir n HIS 181 Ca -0.17 -3.68 -0.07 0.00 -0.26 0.00 0.00 57.72 53.54 2jir n HIS 181 Cb 0.79 -0.39 0.01 0.00 1.12 0.00 0.00 29.99 31.52 2jir n HIS 181 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2jir h PRO 182 N 3.80 0.22 -0.87 -0.41 0.11 -1.68 -1.22 132.00 131.94 2jir h PRO 182 Ca 0.09 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.26 2jir h PRO 182 Cb 0.87 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 31.87 2jir h PRO 182 CO 0.52 0.15 0.57 0.28 -0.21 0.00 0.00 178.00 179.30 2jir h VAL 183 N 0.23 1.03 -0.11 3.15 2.07 -1.91 -0.46 116.25 120.24 2jir h VAL 183 Ca 0.15 -0.32 -0.20 0.00 0.82 0.00 0.00 66.70 67.14 2jir h VAL 183 Cb 0.13 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 2jir h VAL 183 CO -0.16 0.17 -0.75 -0.07 0.02 0.00 0.00 177.57 176.78 2jir h LEU 184 N 0.94 0.68 -1.02 2.57 3.38 -1.67 -2.09 115.31 118.10 2jir h LEU 184 Ca 0.38 -0.45 0.04 0.00 0.09 0.00 0.00 57.88 57.95 2jir h LEU 184 Cb 0.28 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 2jir h LEU 184 CO -0.15 1.21 0.65 0.15 0.09 0.00 0.00 178.44 180.40 2jir h PHE 185 N 0.39 1.22 -0.40 1.13 3.57 -0.74 0.05 116.94 122.17 2jir h PHE 185 Ca -0.04 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 2jir h PHE 185 Cb 1.35 -0.41 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 2jir h PHE 185 CO 0.06 0.70 0.19 -0.09 -2.23 0.00 0.00 178.31 176.94 2jir h ARG 186 N 1.25 0.57 -0.82 1.11 1.12 -0.86 -0.42 114.38 116.34 2jir h ARG 186 Ca 0.40 -0.09 0.04 0.00 -1.11 0.00 0.00 59.98 59.22 2jir h ARG 186 Cb 0.02 -0.10 -0.05 0.00 -0.01 0.00 0.00 29.97 29.82 2jir h ARG 186 CO -0.13 0.51 0.54 -0.09 -3.11 0.00 0.00 179.97 177.69 2jir h ARG 187 N 0.50 0.96 -0.01 0.20 2.43 -1.02 0.21 114.38 117.66 2jir h ARG 187 Ca 0.14 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2jir h ARG 187 Cb 0.13 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2jir h ARG 187 CO -0.02 0.64 -0.00 0.82 -1.51 0.00 0.00 179.97 179.90 2jir h ILE 188 N 0.99 1.31 -0.93 1.20 2.04 -0.49 -2.35 117.51 119.28 2jir h ILE 188 Ca 0.33 -0.91 0.09 0.00 1.00 0.00 0.00 64.86 65.37 2jir h ILE 188 Cb 0.08 1.92 -0.07 0.00 -0.74 0.00 0.00 36.82 38.01 2jir h ILE 188 CO -0.10 0.24 0.57 0.00 0.00 0.00 0.00 178.15 178.86 2jir h ALA 189 N 0.62 1.33 0.14 1.87 0.00 -0.95 -2.48 119.26 119.79 2jir h ALA 189 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2jir h ALA 189 Cb 0.39 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2jir h ALA 189 CO 0.00 0.25 -0.11 -0.09 0.00 0.00 0.00 179.25 179.29 2jir h ARG 190 N 0.97 -0.26 -0.41 0.00 9.65 -0.52 0.16 114.38 123.97 2jir h ARG 190 Ca 0.43 0.02 0.08 0.00 -1.10 0.00 0.00 59.98 59.41 2jir h ARG 190 Cb 0.32 0.06 -0.07 0.00 -1.39 0.00 0.00 29.97 28.89 2jir h ARG 190 CO -0.22 -0.17 -0.01 -0.09 2.80 0.00 0.00 179.97 182.27 2jir h ARG 191 N -0.27 0.09 0.00 0.20 9.65 -1.19 0.35 114.38 123.21 2jir h ARG 191 Ca -0.00 -0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.84 2jir h ARG 191 Cb 0.24 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 28.80 2jir h ARG 191 CO -0.01 0.06 -0.16 -0.22 2.80 0.00 0.00 179.97 182.44 2jir h LYS 192 N 0.09 0.00 -0.38 0.20 3.64 -1.31 0.21 116.57 119.02 2jir h LYS 192 Ca 0.20 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.48 2jir h LYS 192 Cb 0.30 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 2jir h LYS 192 CO -0.35 0.16 -0.19 0.37 -2.27 0.00 0.00 179.45 177.17 2jir h GLN 193 N 0.00 0.79 0.02 1.90 4.15 0.33 -3.11 115.11 119.19 2jir h GLN 193 Ca -0.00 -0.35 -0.04 0.00 0.77 0.00 0.00 58.65 59.03 2jir h GLN 193 Cb 0.37 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.04 2jir h GLN 193 CO 0.02 0.97 -0.15 0.28 -1.93 0.00 0.00 178.83 178.02 2jir h VAL 194 N 0.59 1.68 -3.60 2.39 2.07 -0.59 -3.39 116.25 115.41 2jir h VAL 194 Ca 0.08 -2.20 -0.74 0.00 0.82 0.00 0.00 66.70 64.67 2jir h VAL 194 Cb 0.74 3.15 -0.30 0.00 -1.52 0.00 0.00 31.29 33.36 2jir h VAL 194 CO 0.06 0.58 -0.18 -1.61 0.02 0.00 0.00 177.57 176.44 2jir s GLU 195 N -2.59 2.99 0.53 1.57 2.02 0.70 -4.97 118.70 118.95 2jir s GLU 195 Ca -0.17 -2.34 0.35 0.00 0.02 0.00 0.00 54.97 52.82 2jir s GLU 195 Cb -0.01 -4.07 1.58 0.00 0.10 0.00 0.00 34.13 31.72 2jir s GLU 195 CO 0.72 -1.23 2.03 -1.35 0.02 0.00 0.00 175.26 175.45 2jir h PRO 196 N 7.65 0.00 0.00 0.39 0.11 -1.74 -0.45 132.00 137.96 2jir h PRO 196 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2jir h PRO 196 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2jir h PRO 196 CO 0.77 0.00 0.12 0.78 -0.21 0.00 0.00 178.00 179.45 2jir h GLY 197 N 1.47 0.00 -4.64 -0.55 0.00 -1.93 -3.44 103.07 93.97 2jir h GLY 197 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 2jir h GLY 197 CO 0.00 0.00 0.71 -0.62 0.00 0.00 0.00 176.54 176.63 2jir n VAL 198 N -2.92 0.75 -4.70 4.60 0.31 -0.18 -4.98 118.33 111.21 2jir n VAL 198 Ca -0.02 -0.19 -0.34 0.00 -0.01 0.00 0.00 64.34 63.78 2jir n VAL 198 Cb 0.17 -1.59 -0.12 0.00 -0.91 0.00 0.00 33.84 31.39 2jir n VAL 198 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2jir s LYS 199 N -0.12 2.67 -0.10 5.55 1.02 -0.62 -4.99 119.74 123.16 2jir s LYS 199 Ca 0.70 -0.59 -0.00 0.00 0.02 0.00 0.00 55.97 56.09 2jir s LYS 199 Cb -0.62 -2.53 0.02 0.00 -0.52 0.00 0.00 37.83 34.19 2jir s LYS 199 CO 0.47 0.65 -0.07 0.42 -0.92 0.00 0.00 175.35 175.90 2jir s ILE 200 N -0.79 0.92 -0.19 2.17 1.01 -1.26 -0.34 121.20 122.72 2jir s ILE 200 Ca 0.12 -0.24 -0.04 0.00 0.00 0.00 0.00 60.65 60.49 2jir s ILE 200 Cb -0.11 -0.94 -0.02 0.00 0.01 0.00 0.00 42.46 41.40 2jir s ILE 200 CO 0.01 0.34 -0.03 -0.63 0.00 0.00 0.00 174.94 174.64 2jir s ILE 201 N 1.57 3.76 -0.26 2.92 -1.09 -0.17 0.58 121.20 128.51 2jir s ILE 201 Ca 0.02 -0.38 -0.03 0.00 -2.23 0.00 0.00 60.65 58.03 2jir s ILE 201 Cb -0.13 -2.68 0.03 0.00 -1.58 0.00 0.00 42.46 38.10 2jir s ILE 201 CO -0.06 0.45 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.38 2jir s VAL 202 N 0.90 3.08 -0.29 2.92 1.01 0.21 -0.78 120.40 127.45 2jir s VAL 202 Ca 0.00 -1.02 -0.05 0.00 0.00 0.00 0.00 61.98 60.91 2jir s VAL 202 Cb -0.14 -2.60 0.02 0.00 0.00 0.00 0.00 36.38 33.65 2jir s VAL 202 CO 0.01 0.13 0.05 0.00 0.00 0.00 0.00 175.10 175.29 2jir s ALA 203 N 1.34 2.97 -0.29 5.51 0.00 0.63 -1.05 121.76 130.88 2jir s ALA 203 Ca -0.00 -1.48 -0.16 0.00 0.00 0.00 0.00 51.96 50.32 2jir s ALA 203 Cb -0.17 -2.04 0.15 0.00 0.00 0.00 0.00 23.12 21.06 2jir s ALA 203 CO -0.03 -0.93 1.02 0.34 0.00 0.00 0.00 175.76 176.16 2jir s ASP 204 N 1.45 -0.45 0.39 0.00 -1.08 -0.79 -1.75 116.67 114.43 2jir s ASP 204 Ca 0.02 0.72 0.23 0.00 -0.52 0.00 0.00 52.55 52.99 2jir s ASP 204 Cb -0.17 1.17 1.24 0.00 -1.46 0.00 0.00 42.92 43.70 2jir s ASP 204 CO 0.01 -0.11 1.67 -0.65 0.52 0.00 0.00 175.17 176.61 2jir h PRO 205 N 5.89 0.00 -6.05 4.34 0.11 -1.77 -3.37 132.00 131.15 2jir h PRO 205 Ca -0.28 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.17 2jir h PRO 205 Cb 1.19 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.18 2jir h PRO 205 CO 0.20 0.00 -0.61 1.03 -0.21 0.00 0.00 178.00 178.41 2jir s ARG 206 N -3.60 2.95 -0.65 1.05 0.52 -1.26 -2.61 118.95 115.34 2jir s ARG 206 Ca -0.03 -0.51 -0.18 0.00 -0.52 0.00 0.00 55.73 54.49 2jir s ARG 206 Cb 0.07 -2.78 0.12 0.00 0.52 0.00 0.00 34.95 32.88 2jir s ARG 206 CO 0.21 0.65 0.74 0.50 0.02 0.00 0.00 175.30 177.42 2jir s ARG 207 N -1.49 3.17 0.47 3.54 3.52 0.22 -4.99 118.95 123.39 2jir s ARG 207 Ca 0.20 -1.56 0.07 0.00 -0.13 0.00 0.00 55.73 54.30 2jir s ARG 207 Cb -0.12 -4.36 0.01 0.00 -1.56 0.00 0.00 34.95 28.92 2jir s ARG 207 CO 0.10 -1.51 0.42 0.95 -0.81 0.00 0.00 175.30 174.45 2jir s THR 208 N 2.24 2.28 0.67 4.11 -4.23 -1.26 -4.45 115.64 114.99 2jir s THR 208 Ca 0.14 -1.36 0.39 0.00 -1.18 0.00 0.00 61.69 59.68 2jir s THR 208 Cb -0.21 -2.65 0.39 0.00 1.34 0.00 0.00 72.50 71.38 2jir s THR 208 CO 0.02 0.00 2.21 0.78 -0.54 0.00 0.00 174.62 177.09 2jir h ASN 209 N 0.86 0.00 -0.23 3.99 2.35 -1.99 -1.08 115.58 119.48 2jir h ASN 209 Ca -0.39 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.29 2jir h ASN 209 Cb 1.28 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.63 2jir h ASN 209 CO 0.56 0.00 -0.08 0.74 -1.65 0.00 0.00 177.43 176.99 2jir h THR 210 N 0.00 1.23 0.00 2.81 2.02 -1.94 -2.82 112.91 114.21 2jir h THR 210 Ca 0.00 -1.02 0.00 0.00 0.77 0.00 0.00 66.41 66.16 2jir h THR 210 Cb 0.25 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 2jir h THR 210 CO -0.00 0.34 0.00 -1.54 0.37 0.00 0.00 175.52 174.69 2jir n SER 211 N -4.20 0.39 0.00 4.18 3.41 -0.41 -3.26 113.62 113.72 2jir n SER 211 Ca 0.01 0.58 0.16 0.00 -0.26 0.00 0.00 58.87 59.36 2jir n SER 211 Cb 0.32 -0.67 0.89 0.00 -0.26 0.00 0.00 64.21 64.49 2jir n SER 211 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2jir n ARG 212 N -1.91 0.84 -0.09 4.33 5.12 -1.07 -1.46 116.66 122.42 2jir n ARG 212 Ca 0.03 0.00 0.06 0.00 -1.93 0.00 0.00 57.85 56.01 2jir n ARG 212 Cb 0.24 -1.50 0.10 0.00 -1.16 0.00 0.00 32.46 30.14 2jir n ARG 212 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 2jir n ILE 213 N -1.07 0.50 -2.75 0.55 -5.35 -1.20 -5.05 119.36 104.98 2jir n ILE 213 Ca 0.21 -0.75 -0.41 0.00 -0.27 0.00 0.00 62.75 61.54 2jir n ILE 213 Cb 0.14 0.87 -0.05 0.00 -1.74 0.00 0.00 39.64 38.87 2jir n ILE 213 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2jir s ALA 214 N -0.99 3.29 0.34 -1.28 0.00 -0.53 -4.72 121.76 117.87 2jir s ALA 214 Ca 0.19 0.57 0.09 0.00 0.00 0.00 0.00 51.96 52.81 2jir s ALA 214 Cb 0.11 -3.23 0.61 0.00 0.00 0.00 0.00 23.12 20.60 2jir s ALA 214 CO 0.16 0.07 1.79 -0.44 0.00 0.00 0.00 175.76 177.33 2jir h ASP 215 N 5.07 0.17 -3.23 0.00 3.32 -0.18 -3.44 116.42 118.13 2jir h ASP 215 Ca -0.44 -0.06 -0.16 0.00 0.02 0.00 0.00 57.03 56.40 2jir h ASP 215 Cb 1.21 -0.05 -0.28 0.00 0.22 0.00 0.00 39.33 40.43 2jir h ASP 215 CO 0.70 0.50 -0.40 -0.32 -1.72 0.00 0.00 179.24 178.01 2jir s MET 216 N -4.30 0.29 -0.30 3.56 1.75 -0.93 -5.03 119.30 114.35 2jir s MET 216 Ca -0.04 0.68 -0.07 0.00 -1.25 0.00 0.00 55.69 55.01 2jir s MET 216 Cb 0.14 -0.06 0.01 0.00 2.84 0.00 0.00 34.83 37.77 2jir s MET 216 CO 0.75 -0.17 0.08 -1.58 -0.65 0.00 0.00 175.02 173.45 2jir s HIS 217 N 1.44 3.15 -0.52 4.11 2.46 -1.26 -0.62 115.29 124.05 2jir s HIS 217 Ca -0.09 -1.01 -0.19 0.00 0.47 0.00 0.00 55.06 54.25 2jir s HIS 217 Cb -0.10 -2.26 0.07 0.00 -0.13 0.00 0.00 32.58 30.16 2jir s HIS 217 CO -0.11 -0.59 0.65 0.08 -2.47 0.00 0.00 174.74 172.30 2jir s VAL 218 N 1.49 4.85 -1.24 0.89 1.01 -0.22 -4.97 120.40 122.22 2jir s VAL 218 Ca 0.02 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 61.40 2jir s VAL 218 Cb -0.17 -4.34 0.18 0.00 0.00 0.00 0.00 36.38 32.05 2jir s VAL 218 CO 0.02 -0.87 2.21 0.00 0.00 0.00 0.00 175.10 176.47 2jir n ALA 219 N 6.23 6.56 -1.44 5.51 0.00 -1.26 -1.89 120.51 134.21 2jir n ALA 219 Ca -0.07 -4.24 -0.31 0.00 0.00 0.00 0.00 53.44 48.81 2jir n ALA 219 Cb 0.45 -2.61 0.06 0.00 0.00 0.00 0.00 19.45 17.35 2jir n ALA 219 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2jir s PHE 220 N -2.01 2.81 0.29 0.00 -0.12 -1.26 -4.80 117.98 112.89 2jir s PHE 220 Ca 0.49 1.50 -0.29 0.00 -0.05 0.00 0.00 56.93 58.58 2jir s PHE 220 Cb 0.18 -3.00 -0.10 0.00 -0.63 0.00 0.00 43.02 39.47 2jir s PHE 220 CO -0.10 -1.52 1.33 0.50 -0.05 0.00 0.00 175.22 175.38 2jir s ARG 221 N -4.77 4.35 0.25 1.99 3.52 0.70 -4.07 118.95 120.92 2jir s ARG 221 Ca 0.61 2.20 -0.30 0.00 -0.13 0.00 0.00 55.73 58.11 2jir s ARG 221 Cb -0.16 -3.10 -0.14 0.00 -1.56 0.00 0.00 34.95 29.98 2jir s ARG 221 CO 0.52 -0.23 1.15 -2.30 -0.81 0.00 0.00 175.30 173.63 2jir n PRO 222 N 1.43 1.48 0.00 5.12 -0.02 -1.26 -2.28 135.00 139.47 2jir n PRO 222 Ca 0.02 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 2jir n PRO 222 Cb 0.42 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 2jir n PRO 222 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jir n GLY 223 N 1.60 2.42 1.18 -1.23 0.00 -1.26 -4.87 105.19 103.04 2jir n GLY 223 Ca 0.11 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.24 2jir n GLY 223 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jir n THR 224 N -2.00 0.75 0.20 2.61 -2.24 -0.97 -4.39 114.28 108.24 2jir n THR 224 Ca 0.00 -0.83 0.06 0.00 -2.27 0.00 0.00 64.05 61.01 2jir n THR 224 Cb 0.00 0.60 0.37 0.00 -2.10 0.00 0.00 70.33 69.20 2jir n THR 224 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2jir h ASP 225 N 4.01 0.00 -0.19 3.42 3.04 -1.91 -1.88 116.42 122.91 2jir h ASP 225 Ca 0.00 0.00 0.03 0.00 -3.24 0.00 0.00 57.03 53.82 2jir h ASP 225 Cb 0.90 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 39.17 2jir h ASP 225 CO 0.00 0.35 0.00 -0.07 -2.04 0.00 0.00 179.24 177.48 2jir h LEU 226 N 0.00 -0.07 -0.39 0.15 4.07 -1.96 0.99 115.31 118.10 2jir h LEU 226 Ca -0.00 0.04 -0.01 0.00 0.08 0.00 0.00 57.88 57.99 2jir h LEU 226 Cb 0.84 0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.63 2jir h LEU 226 CO 0.05 -0.01 0.22 0.00 -1.08 0.00 0.00 178.44 177.62 2jir h ALA 227 N 1.16 0.50 -0.39 1.53 0.00 -1.81 -0.45 119.26 119.80 2jir h ALA 227 Ca 0.09 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.98 2jir h ALA 227 Cb 0.11 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 2jir h ALA 227 CO -0.15 0.02 0.09 0.35 0.00 0.00 0.00 179.25 179.56 2jir h PHE 228 N 0.51 0.14 -0.33 0.00 3.57 -1.15 0.14 116.94 119.82 2jir h PHE 228 Ca 0.14 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.55 2jir h PHE 228 Cb 0.04 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 2jir h PHE 228 CO -0.03 0.02 -0.25 0.52 -2.23 0.00 0.00 178.31 176.34 2jir h MET 229 N 0.22 0.66 -0.39 1.11 2.86 -0.58 -0.76 114.93 118.05 2jir h MET 229 Ca 0.19 -0.27 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 2jir h MET 229 Cb 0.22 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 2jir h MET 229 CO -0.24 0.85 0.13 0.45 1.06 0.00 0.00 176.91 179.16 2jir h HIS 230 N 0.58 0.63 -0.85 -0.22 3.86 -0.75 -2.70 115.15 115.70 2jir h HIS 230 Ca 0.08 -0.06 0.09 0.00 -1.16 0.00 0.00 60.37 59.32 2jir h HIS 230 Cb 0.74 -0.18 -0.06 0.00 1.06 0.00 0.00 27.41 28.97 2jir h HIS 230 CO 0.03 0.58 0.55 1.03 0.86 0.00 0.00 177.93 180.99 2jir h SER 231 N 0.49 0.76 -0.84 2.45 0.87 -0.42 -0.81 113.55 116.05 2jir h SER 231 Ca 0.13 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 2jir h SER 231 Cb 0.25 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.03 2jir h SER 231 CO -0.00 0.46 0.50 0.24 -0.53 0.00 0.00 176.83 177.49 2jir h MET 232 N 0.84 1.16 -0.43 2.24 2.86 -0.97 -2.52 114.93 118.11 2jir h MET 232 Ca 0.38 -0.11 -0.12 0.00 -2.06 0.00 0.00 59.70 57.79 2jir h MET 232 Cb 0.38 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 2jir h MET 232 CO -0.15 0.82 -0.23 0.00 1.06 0.00 0.00 176.91 178.41 2jir h ALA 233 N 1.27 0.79 -0.43 6.32 0.00 -0.88 -1.15 119.26 125.18 2jir h ALA 233 Ca 0.30 -0.39 0.09 0.00 0.00 0.00 0.00 54.91 54.91 2jir h ALA 233 Cb -0.02 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 17.52 2jir h ALA 233 CO -0.05 0.65 -0.15 2.35 0.00 0.00 0.00 179.25 182.05 2jir h TRP 234 N 0.75 -0.36 -0.08 0.00 7.01 -1.09 0.17 115.95 122.36 2jir h TRP 234 Ca 0.10 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.13 2jir h TRP 234 Cb 0.77 0.23 -0.00 0.00 -2.10 0.00 0.00 29.16 28.06 2jir h TRP 234 CO 0.04 -0.24 0.02 0.28 -2.79 0.00 0.00 178.44 175.76 2jir h VAL 235 N -0.06 1.19 -0.32 2.65 2.07 -1.25 0.72 116.25 121.24 2jir h VAL 235 Ca 0.21 -0.57 0.06 0.00 0.82 0.00 0.00 66.70 67.22 2jir h VAL 235 Cb 0.38 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 2jir h VAL 235 CO -0.47 0.16 -0.02 0.40 0.02 0.00 0.00 177.57 177.65 2jir h ILE 236 N -0.08 0.74 0.43 4.57 2.04 -0.96 -0.91 117.51 123.34 2jir h ILE 236 Ca 0.03 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 2jir h ILE 236 Cb 0.24 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 2jir h ILE 236 CO -0.00 0.01 -0.21 0.40 0.00 0.00 0.00 178.15 178.35 2jir h ILE 237 N 0.06 0.57 -1.00 -0.67 1.08 -0.41 0.14 117.51 117.27 2jir h ILE 237 Ca 0.16 -0.23 0.21 0.00 -0.39 0.00 0.00 64.86 64.61 2jir h ILE 237 Cb 0.22 0.68 -0.11 0.00 -3.07 0.00 0.00 36.82 34.54 2jir h ILE 237 CO -0.28 0.04 0.61 -1.13 -0.69 0.00 0.00 178.15 176.70 2jir h ASN 238 N -0.72 0.71 -0.66 1.72 -1.24 0.79 -1.28 115.58 114.90 2jir h ASN 238 Ca -0.06 0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.05 2jir h ASN 238 Cb 0.51 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.54 2jir h ASN 238 CO 0.10 0.22 0.00 -0.62 -1.29 0.00 0.00 177.43 175.83 2jir n GLU 239 N -4.76 3.67 -3.65 6.67 1.02 -0.38 -4.93 120.64 118.28 2jir n GLU 239 Ca 0.24 -2.88 -0.22 0.00 -0.02 0.00 0.00 57.16 54.28 2jir n GLU 239 Cb 0.65 -1.87 0.05 0.00 -0.02 0.00 0.00 31.44 30.25 2jir n GLU 239 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2jir n GLU 240 N 1.19 -5.79 -0.25 3.49 1.02 -0.48 -4.89 120.64 114.93 2jir n GLU 240 Ca 0.26 0.70 0.08 0.00 -0.02 0.00 0.00 57.16 58.18 2jir n GLU 240 Cb 0.87 -5.48 0.22 0.00 -0.02 0.00 0.00 31.44 27.03 2jir n GLU 240 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2jir n LEU 241 N -4.37 3.32 -4.98 -4.62 4.77 0.46 -4.98 117.00 106.59 2jir n LEU 241 Ca -0.21 -1.94 -0.26 0.00 -0.03 0.00 0.00 56.01 53.57 2jir n LEU 241 Cb 0.64 -0.32 0.14 0.00 -2.33 0.00 0.00 43.42 41.55 2jir n LEU 241 CO 0.67 0.82 0.67 1.51 -1.33 0.00 0.00 177.39 179.73 2jir s ASP 242 N -1.02 3.84 -0.56 -1.43 -4.77 -1.21 -4.84 116.67 106.68 2jir s ASP 242 Ca 0.33 -0.23 0.04 0.00 -3.30 0.00 0.00 52.55 49.40 2jir s ASP 242 Cb 0.18 0.02 0.17 0.00 -1.09 0.00 0.00 42.92 42.19 2jir s ASP 242 CO 0.23 -2.22 0.41 0.21 0.70 0.00 0.00 175.17 174.50 2jir s ASN 243 N -4.82 3.30 0.45 2.11 3.84 -0.30 -4.95 114.94 114.57 2jir s ASN 243 Ca 0.70 -3.43 0.16 0.00 0.21 0.00 0.00 52.86 50.50 2jir s ASN 243 Cb -0.04 -1.08 1.03 0.00 -0.55 0.00 0.00 41.25 40.61 2jir s ASN 243 CO 0.48 -0.13 1.99 1.55 -2.79 0.00 0.00 177.10 178.19 2jir h PRO 244 N 5.60 0.00 -0.36 0.43 0.13 -1.95 -1.72 132.00 134.13 2jir h PRO 244 Ca 0.18 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.29 2jir h PRO 244 Cb 0.83 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.94 2jir h PRO 244 CO 0.55 0.19 0.12 0.00 -0.23 0.00 0.00 178.00 178.63 2jir h ARG 245 N 0.00 0.51 0.00 0.86 2.47 -1.98 -1.79 114.38 114.45 2jir h ARG 245 Ca -0.00 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 2jir h ARG 245 Cb 0.35 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.58 2jir h ARG 245 CO 0.02 0.45 0.00 0.34 0.56 0.00 0.00 179.97 181.35 2jir n PHE 246 N -4.37 0.00 0.22 3.04 7.35 -0.69 -3.97 117.46 119.03 2jir n PHE 246 Ca 0.02 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.76 2jir n PHE 246 Cb 0.16 -0.49 0.51 0.00 0.35 0.00 0.00 39.48 40.01 2jir n PHE 246 CO 0.00 0.00 0.00 0.11 -0.76 0.00 0.00 176.76 176.11 2jir h TRP 247 N 0.00 0.03 -0.00 -5.13 5.08 -1.49 0.13 115.95 114.57 2jir h TRP 247 Ca 0.00 -0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.94 2jir h TRP 247 Cb 0.00 -0.01 -0.00 0.00 -3.00 0.00 0.00 29.16 26.15 2jir h TRP 247 CO 0.11 0.18 -0.15 1.96 -1.28 0.00 0.00 178.44 179.26 2jir h GLN 248 N 0.03 0.00 0.00 0.12 4.20 -1.52 -2.18 115.11 115.76 2jir h GLN 248 Ca 0.00 -0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.45 2jir h GLN 248 Cb 0.29 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.02 2jir h GLN 248 CO 0.02 0.15 -2.17 -2.13 -0.67 0.00 0.00 178.83 174.04 2jir n ARG 249 N -4.36 0.97 0.00 1.46 0.63 -0.86 -4.71 116.66 109.79 2jir n ARG 249 Ca -0.03 -0.04 0.02 0.00 -0.92 0.00 0.00 57.85 56.89 2jir n ARG 249 Cb 0.22 -1.46 0.00 0.00 0.45 0.00 0.00 32.46 31.67 2jir n ARG 249 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2jir n TYR 250 N -2.57 0.00 -4.66 -0.14 4.02 -0.02 -4.89 117.16 108.89 2jir n TYR 250 Ca -0.24 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.42 2jir n TYR 250 Cb 0.97 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 40.14 2jir n TYR 250 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2jir s VAL 251 N -0.84 1.13 0.11 -0.72 1.01 -0.82 -1.00 120.40 119.27 2jir s VAL 251 Ca 0.04 -0.60 0.05 0.00 0.00 0.00 0.00 61.98 61.47 2jir s VAL 251 Cb 0.04 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 2jir s VAL 251 CO 0.11 0.32 0.02 0.20 0.00 0.00 0.00 175.10 175.76 2jir s ASN 252 N -0.25 5.10 -0.02 3.32 0.01 0.34 -4.73 114.94 118.71 2jir s ASN 252 Ca 0.04 -0.18 0.03 0.00 -0.71 0.00 0.00 52.86 52.04 2jir s ASN 252 Cb -0.06 -1.23 -0.03 0.00 0.41 0.00 0.00 41.25 40.33 2jir s ASN 252 CO -0.00 0.15 -0.10 -0.36 -1.51 0.00 0.00 177.10 175.28 2jir s PHE 253 N -1.42 2.82 -0.08 2.20 0.40 -1.26 -0.79 117.98 119.85 2jir s PHE 253 Ca 0.27 -0.08 0.02 0.00 -0.60 0.00 0.00 56.93 56.54 2jir s PHE 253 Cb -0.11 -1.62 0.02 0.00 0.51 0.00 0.00 43.02 41.81 2jir s PHE 253 CO 0.19 0.30 -0.11 -1.64 0.70 0.00 0.00 175.22 174.66 2jir s MET 254 N -1.10 1.66 1.33 0.44 -1.94 -0.24 -1.30 119.30 118.15 2jir s MET 254 Ca 0.14 -0.38 -0.22 0.00 -1.71 0.00 0.00 55.69 53.52 2jir s MET 254 Cb -0.11 -1.44 0.33 0.00 2.01 0.00 0.00 34.83 35.63 2jir s MET 254 CO 0.04 -0.04 1.04 0.16 -0.01 0.00 0.00 175.02 176.21 2jir s ASP 255 N 0.88 -0.18 0.60 3.03 3.84 -0.37 -0.56 116.67 123.92 2jir s ASP 255 Ca -0.11 0.61 0.31 0.00 -0.00 0.00 0.00 52.55 53.36 2jir s ASP 255 Cb -0.15 -0.81 1.87 0.00 -1.38 0.00 0.00 42.92 42.45 2jir s ASP 255 CO 0.01 -4.79 2.26 0.00 -0.00 0.00 0.00 175.17 172.65 2jir h ALA 256 N -3.04 1.49 -0.00 2.11 0.00 -1.89 -0.98 119.26 116.96 2jir h ALA 256 Ca -0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2jir h ALA 256 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2jir h ALA 256 CO 0.27 -0.01 -0.26 0.39 0.00 0.00 0.00 179.25 179.65 2jir n GLU 257 N -3.79 0.13 -0.87 0.00 4.71 -1.26 -4.79 120.64 114.76 2jir n GLU 257 Ca -0.03 -0.05 0.00 0.00 -0.01 0.00 0.00 57.16 57.07 2jir n GLU 257 Cb 0.09 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.02 2jir n GLU 257 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2jir n GLY 258 N 1.46 0.51 3.91 0.62 0.00 -0.37 -5.08 105.19 106.24 2jir n GLY 258 Ca 0.08 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 2jir n GLY 258 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jir s LYS 259 N -1.76 3.52 0.14 1.61 -0.14 -1.26 -4.81 119.74 117.04 2jir s LYS 259 Ca 0.00 -0.26 -0.34 0.00 -1.36 0.00 0.00 55.97 54.01 2jir s LYS 259 Cb 0.00 -2.98 -0.16 0.00 -1.68 0.00 0.00 37.83 33.01 2jir s LYS 259 CO 0.00 0.57 1.20 -2.30 -0.76 0.00 0.00 175.35 174.06 2jir n PRO 260 N 0.37 1.12 0.00 -1.68 -0.02 -1.26 -1.23 135.00 132.29 2jir n PRO 260 Ca -0.05 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 2jir n PRO 260 Cb 0.52 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 2jir n PRO 260 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2jir n SER 261 N 2.14 0.12 -1.92 2.55 2.88 -0.42 -4.75 113.62 114.23 2jir n SER 261 Ca 0.16 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.65 2jir n SER 261 Cb 0.23 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.69 2jir n SER 261 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2jir n ASP 262 N 0.00 -1.01 -0.14 -3.46 5.68 -1.26 -4.51 116.55 111.85 2jir n ASP 262 Ca 0.00 -1.84 0.03 0.00 -0.50 0.00 0.00 54.79 52.47 2jir n ASP 262 Cb 0.00 1.72 0.32 0.00 -1.14 0.00 0.00 41.12 42.02 2jir n ASP 262 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 2jir h PHE 263 N 1.50 0.78 -0.29 2.11 3.57 -1.98 0.54 116.94 123.17 2jir h PHE 263 Ca -0.16 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.20 2jir h PHE 263 Cb 0.61 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.08 2jir h PHE 263 CO 0.00 0.47 -0.47 0.93 -2.23 0.00 0.00 178.31 177.01 2jir h GLU 264 N 0.82 0.77 -0.33 1.11 4.39 -1.98 0.36 114.58 119.73 2jir h GLU 264 Ca 0.24 -0.45 0.00 0.00 0.34 0.00 0.00 59.36 59.50 2jir h GLU 264 Cb -0.03 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 2jir h GLU 264 CO -0.06 1.07 0.21 0.78 -1.16 0.00 0.00 179.01 179.85 2jir h GLY 265 N 0.87 0.47 0.46 -3.84 0.00 -1.73 0.47 103.07 99.78 2jir h GLY 265 Ca 0.03 -0.19 0.03 0.00 0.00 0.00 0.00 47.33 47.21 2jir h GLY 265 CO 0.10 0.18 -0.23 -1.82 0.00 0.00 0.00 176.54 174.77 2jir h TYR 266 N 0.43 -0.62 -0.87 5.60 3.20 0.34 -0.51 116.97 124.55 2jir h TYR 266 Ca 0.12 0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.15 2jir h TYR 266 Cb -0.02 0.27 -0.09 0.00 1.54 0.00 0.00 36.73 38.44 2jir h TYR 266 CO -0.05 -0.32 0.47 0.87 -1.64 0.00 0.00 178.16 177.49 2jir h LYS 267 N -0.37 0.68 -0.31 1.82 1.57 -0.77 -1.31 116.57 117.89 2jir h LYS 267 Ca 0.06 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 2jir h LYS 267 Cb 0.45 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2jir h LYS 267 CO -0.21 0.45 -0.07 0.00 -0.57 0.00 0.00 179.45 179.05 2jir h ALA 268 N 1.54 0.42 -0.30 3.86 0.00 -0.25 -2.96 119.26 121.57 2jir h ALA 268 Ca 0.46 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 55.12 2jir h ALA 268 Cb 0.60 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2jir h ALA 268 CO -0.33 0.25 0.08 0.35 0.00 0.00 0.00 179.25 179.60 2jir h PHE 269 N 0.36 0.14 0.00 0.00 3.57 -0.84 -2.82 116.94 117.35 2jir h PHE 269 Ca 0.08 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.59 2jir h PHE 269 Cb 0.56 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.28 2jir h PHE 269 CO 0.05 0.05 0.00 1.28 -2.23 0.00 0.00 178.31 177.46 2jir n LEU 270 N -5.06 0.36 0.30 0.59 4.77 -0.52 -1.93 117.00 115.51 2jir n LEU 270 Ca -0.00 0.63 0.17 0.00 -0.03 0.00 0.00 56.01 56.77 2jir n LEU 270 Cb 0.12 -0.62 0.93 0.00 -2.33 0.00 0.00 43.42 41.52 2jir n LEU 270 CO 0.27 -0.61 1.09 -0.33 -1.33 0.00 0.00 177.39 176.48 2jir h GLU 271 N 0.00 0.00 0.00 3.23 4.39 -1.33 -0.66 114.58 120.21 2jir h GLU 271 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2jir h GLU 271 Cb 0.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 2jir h GLU 271 CO 0.00 0.04 0.00 -1.71 -1.16 0.00 0.00 179.01 176.18 2jir n ASN 272 N -3.52 0.00 -2.50 1.42 4.05 -0.81 -3.70 115.26 110.20 2jir n ASN 272 Ca -0.02 0.16 -0.14 0.00 0.45 0.00 0.00 54.58 55.02 2jir n ASN 272 Cb 0.14 -0.36 0.03 0.00 1.23 0.00 0.00 39.78 40.82 2jir n ASN 272 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 2jir n TYR 273 N -1.36 2.10 -1.84 1.20 4.01 -0.25 -4.96 117.16 116.06 2jir n TYR 273 Ca 0.08 -2.52 -0.41 0.00 -0.16 0.00 0.00 57.90 54.89 2jir n TYR 273 Cb 0.19 -0.26 -0.00 0.00 -0.31 0.00 0.00 39.34 38.95 2jir n TYR 273 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2jir s ARG 274 N -3.54 4.14 0.33 -0.72 0.52 -1.24 -3.78 118.95 114.67 2jir s ARG 274 Ca 0.38 2.53 0.10 0.00 -0.52 0.00 0.00 55.73 58.22 2jir s ARG 274 Cb 0.39 -2.98 0.87 0.00 0.52 0.00 0.00 34.95 33.75 2jir s ARG 274 CO -0.03 -0.49 1.76 -1.35 0.02 0.00 0.00 175.30 175.21 2jir h PRO 275 N 3.12 0.60 -0.38 3.54 0.11 -1.96 -1.60 132.00 135.43 2jir h PRO 275 Ca -0.50 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.45 2jir h PRO 275 Cb 1.24 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2jir h PRO 275 CO 0.65 0.40 -0.25 0.93 -0.21 0.00 0.00 178.00 179.52 2jir h GLU 276 N 0.62 0.84 -0.16 1.05 3.07 -1.94 0.45 114.58 118.51 2jir h GLU 276 Ca 0.60 -0.39 -0.19 0.00 -0.50 0.00 0.00 59.36 58.88 2jir h GLU 276 Cb 1.13 -0.01 0.01 0.00 -0.84 0.00 0.00 28.75 29.04 2jir h GLU 276 CO -0.39 1.03 -0.63 -0.22 -1.40 0.00 0.00 179.01 177.41 2jir h LYS 277 N 0.65 0.72 0.00 2.33 3.64 -1.84 -3.25 116.57 118.81 2jir h LYS 277 Ca 0.08 -0.55 -0.06 0.00 -1.27 0.00 0.00 60.65 58.85 2jir h LYS 277 Cb 0.81 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 2jir h LYS 277 CO 0.07 1.17 -0.29 0.28 -2.27 0.00 0.00 179.45 178.40 2jir h VAL 278 N 0.42 0.59 -0.42 2.00 2.07 -1.25 -3.08 116.25 116.57 2jir h VAL 278 Ca -0.03 -1.49 -0.07 0.00 0.82 0.00 0.00 66.70 65.92 2jir h VAL 278 Cb 1.25 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 33.03 2jir h VAL 278 CO 0.13 0.29 -0.02 0.00 0.02 0.00 0.00 177.57 177.99 2jir h ALA 279 N 1.71 1.17 0.00 1.67 0.00 -0.94 -1.84 119.26 121.03 2jir h ALA 279 Ca -0.00 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.50 2jir h ALA 279 Cb 1.01 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2jir h ALA 279 CO 0.04 0.54 -0.70 1.05 0.00 0.00 0.00 179.25 180.17 2jir h GLU 280 N 0.65 0.00 -0.45 0.00 -0.00 -1.60 -1.68 114.58 111.50 2jir h GLU 280 Ca 0.13 0.00 -0.06 0.00 -0.00 0.00 0.00 59.36 59.43 2jir h GLU 280 Cb 0.44 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.17 2jir h GLU 280 CO 0.02 0.70 0.04 0.82 -0.00 0.00 0.00 179.01 180.59 2jir h ILE 281 N 0.00 1.25 0.00 -1.06 2.04 -1.42 -3.16 117.51 115.16 2jir h ILE 281 Ca -0.01 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 64.89 2jir h ILE 281 Cb 1.46 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.55 2jir h ILE 281 CO 0.09 0.34 -0.36 0.00 0.00 0.00 0.00 178.15 178.22 2jir n ARG 283 N -1.62 -5.44 -4.52 0.00 5.12 -0.87 -0.22 116.66 109.11 2jir n ARG 283 Ca 0.06 0.63 -0.25 0.00 -1.93 0.00 0.00 57.85 56.36 2jir n ARG 283 Cb 0.36 -5.38 -0.14 0.00 -1.16 0.00 0.00 32.46 26.14 2jir n ARG 283 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2jir s VAL 284 N -3.48 1.65 0.27 1.55 -7.23 -0.69 -4.77 120.40 107.71 2jir s VAL 284 Ca 0.32 -1.29 -0.30 0.00 -1.81 0.00 0.00 61.98 58.90 2jir s VAL 284 Cb -0.16 -1.46 -0.13 0.00 0.56 0.00 0.00 36.38 35.19 2jir s VAL 284 CO 0.81 0.12 1.44 -0.81 -0.31 0.00 0.00 175.10 176.35 2jir n PRO 285 N 1.62 2.24 0.17 4.82 -0.04 -1.26 -4.57 135.00 137.98 2jir n PRO 285 Ca -0.18 0.80 0.14 0.00 -0.04 0.00 0.00 63.50 64.22 2jir n PRO 285 Cb 0.53 -2.48 0.71 0.00 -0.04 0.00 0.00 33.50 32.23 2jir n PRO 285 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2jir h VAL 286 N 3.04 0.79 0.00 0.52 -1.51 -1.90 -1.87 116.25 115.34 2jir h VAL 286 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 2jir h VAL 286 Cb 1.26 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 31.31 2jir h VAL 286 CO 0.74 0.00 0.00 1.05 -1.23 0.00 0.00 177.57 178.13 2jir h GLU 287 N 0.00 0.00 -0.19 5.19 9.09 -1.96 -2.17 114.58 124.54 2jir h GLU 287 Ca 0.10 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.39 2jir h GLU 287 Cb 0.41 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.50 2jir h GLU 287 CO -0.00 0.00 -0.38 1.96 0.05 0.00 0.00 179.01 180.64 2jir h GLN 288 N 0.00 0.42 0.11 1.06 4.20 -1.70 0.38 115.11 119.58 2jir h GLN 288 Ca 0.00 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.51 2jir h GLN 288 Cb 0.24 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 2jir h GLN 288 CO 0.00 0.74 -0.05 0.82 -0.67 0.00 0.00 178.83 179.66 2jir h ILE 289 N 0.35 1.05 -0.48 2.54 2.04 -1.57 -1.24 117.51 120.21 2jir h ILE 289 Ca 0.04 -0.64 0.01 0.00 1.00 0.00 0.00 64.86 65.27 2jir h ILE 289 Cb 0.82 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 38.33 2jir h ILE 289 CO 0.07 0.15 0.30 1.88 0.00 0.00 0.00 178.15 180.55 2jir h TYR 290 N -0.44 0.57 0.09 1.37 0.05 -1.56 -1.70 116.97 115.34 2jir h TYR 290 Ca -0.01 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 2jir h TYR 290 Cb 0.36 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 37.92 2jir h TYR 290 CO 0.02 0.34 -0.05 0.78 -1.05 0.00 0.00 178.16 178.21 2jir h GLY 291 N 0.61 -0.13 1.01 3.88 0.00 -0.91 -1.17 103.07 106.35 2jir h GLY 291 Ca 0.19 0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.57 2jir h GLY 291 CO -0.07 -0.05 0.35 0.00 0.00 0.00 0.00 176.54 176.78 2jir h ALA 292 N 0.73 0.67 -0.27 3.60 0.00 -1.22 -1.11 119.26 121.66 2jir h ALA 292 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2jir h ALA 292 Cb 0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2jir h ALA 292 CO 0.02 0.11 0.13 0.00 0.00 0.00 0.00 179.25 179.52 2jir h ALA 293 N 1.19 0.35 -0.27 0.00 0.00 -1.25 -0.86 119.26 118.42 2jir h ALA 293 Ca 0.19 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2jir h ALA 293 Cb -0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2jir h ALA 293 CO -0.04 -0.10 -0.07 0.00 0.00 0.00 0.00 179.25 179.04 2jir h ARG 294 N 0.30 0.52 0.31 0.00 3.08 -1.10 -0.82 114.38 116.68 2jir h ARG 294 Ca 0.09 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 2jir h ARG 294 Cb 0.11 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 2jir h ARG 294 CO -0.01 0.74 -0.22 0.00 -1.07 0.00 0.00 179.97 179.40 2jir h ALA 295 N 0.77 -0.52 -0.75 0.04 0.00 -1.21 0.49 119.26 118.07 2jir h ALA 295 Ca 0.07 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 54.98 2jir h ALA 295 Cb 0.55 0.29 -0.12 0.00 0.00 0.00 0.00 17.79 18.51 2jir h ALA 295 CO 0.03 -0.81 -0.47 0.35 0.00 0.00 0.00 179.25 178.35 2jir h PHE 296 N -0.53 -1.41 0.16 0.00 3.57 -1.11 -1.87 116.94 115.75 2jir h PHE 296 Ca -0.03 0.10 -0.33 0.00 3.53 0.00 0.00 57.97 61.24 2jir h PHE 296 Cb 0.46 0.72 0.01 0.00 2.79 0.00 0.00 35.95 39.92 2jir h PHE 296 CO -0.12 -0.41 -1.62 0.00 -2.23 0.00 0.00 178.31 173.93 2jir h ALA 297 N 0.71 0.17 -0.00 2.41 0.00 -0.86 -3.36 119.26 118.33 2jir h ALA 297 Ca 0.20 -1.09 -0.18 0.00 0.00 0.00 0.00 54.91 53.85 2jir h ALA 297 Cb 0.54 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2jir h ALA 297 CO -0.80 1.04 -0.81 0.93 0.00 0.00 0.00 179.25 179.60 2jir h GLU 298 N 0.09 0.08 -6.71 0.00 5.08 -0.06 -3.47 114.58 109.59 2jir h GLU 298 Ca -0.29 -0.08 -0.58 0.00 -1.00 0.00 0.00 59.36 57.41 2jir h GLU 298 Cb 2.07 0.02 0.14 0.00 0.50 0.00 0.00 28.75 31.49 2jir h GLU 298 CO 0.18 0.84 0.13 0.43 -1.00 0.00 0.00 179.01 179.60 2jir n SER 299 N -3.63 1.02 -0.05 1.42 7.64 -0.71 -4.89 113.62 114.42 2jir n SER 299 Ca -0.02 0.94 0.02 0.00 1.01 0.00 0.00 58.87 60.82 2jir n SER 299 Cb 0.77 -1.36 0.35 0.00 -1.01 0.00 0.00 64.21 62.96 2jir n SER 299 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jir h ALA 300 N 1.12 1.56 -2.40 -0.43 0.00 -1.90 -3.42 119.26 113.80 2jir h ALA 300 Ca -0.46 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.31 2jir h ALA 300 Cb 1.35 -0.19 -0.25 0.00 0.00 0.00 0.00 17.79 18.69 2jir h ALA 300 CO 0.54 0.37 -0.26 0.00 0.00 0.00 0.00 179.25 179.90 2jir s ALA 301 N -5.45 -1.36 -0.14 0.00 0.00 -1.26 -4.99 121.76 108.55 2jir s ALA 301 Ca -0.09 1.77 0.01 0.00 0.00 0.00 0.00 51.96 53.65 2jir s ALA 301 Cb 0.17 -1.30 0.00 0.00 0.00 0.00 0.00 23.12 21.99 2jir s ALA 301 CO 0.75 -0.60 -0.18 0.99 0.00 0.00 0.00 175.76 176.72 2jir s THR 302 N 2.19 2.45 -0.13 0.00 2.01 -1.22 0.13 115.64 121.07 2jir s THR 302 Ca -0.06 -0.85 -0.00 0.00 0.31 0.00 0.00 61.69 61.09 2jir s THR 302 Cb -0.10 -2.01 -0.01 0.00 0.01 0.00 0.00 72.50 70.39 2jir s THR 302 CO -0.15 0.53 -0.14 -0.32 -0.69 0.00 0.00 174.62 173.86 2jir s MET 303 N 0.73 3.35 -0.02 4.92 -2.45 -0.43 -2.25 119.30 123.15 2jir s MET 303 Ca -0.08 -0.70 -0.03 0.00 -1.25 0.00 0.00 55.69 53.63 2jir s MET 303 Cb -0.16 -2.63 -0.04 0.00 1.25 0.00 0.00 34.83 33.25 2jir s MET 303 CO 0.01 0.17 0.18 -1.12 1.05 0.00 0.00 175.02 175.31 2jir s SER 304 N 0.45 6.36 -0.03 1.11 0.01 -0.92 -1.76 113.70 118.91 2jir s SER 304 Ca -0.10 0.35 -0.02 0.00 1.31 0.00 0.00 55.95 57.49 2jir s SER 304 Cb -0.16 -2.00 0.02 0.00 0.21 0.00 0.00 66.02 64.09 2jir s SER 304 CO 0.05 0.27 0.08 -0.76 0.41 0.00 0.00 173.24 173.29 2jir s LEU 305 N -1.87 1.39 0.05 2.44 1.02 -0.40 -0.56 118.68 120.75 2jir s LEU 305 Ca 0.26 0.16 -0.12 0.00 0.02 0.00 0.00 54.13 54.45 2jir s LEU 305 Cb -0.13 0.21 0.01 0.00 0.02 0.00 0.00 46.19 46.31 2jir s LEU 305 CO 0.18 -0.07 0.25 -1.66 0.02 0.00 0.00 176.35 175.07 2jir s TRP 306 N 0.48 -0.02 0.00 0.29 -2.14 -1.25 -1.16 118.94 115.14 2jir s TRP 306 Ca -0.04 -0.17 0.00 0.00 2.66 0.00 0.00 56.10 58.55 2jir s TRP 306 Cb -0.05 0.04 0.00 0.00 -3.10 0.00 0.00 33.47 30.36 2jir s TRP 306 CO -0.02 -0.48 0.00 0.00 -2.66 0.00 0.00 176.95 173.79 2jir h MET 308 N 0.00 0.00 0.00 0.00 2.86 -1.76 -1.93 114.93 114.10 2jir h MET 308 Ca 0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 2jir h MET 308 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2jir h MET 308 CO 0.00 0.26 -0.26 0.78 1.06 0.00 0.00 176.91 178.75 2jir h GLY 309 N 1.33 0.00 0.13 8.32 0.00 -1.84 0.28 103.07 111.29 2jir h GLY 309 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 2jir h GLY 309 CO 0.03 0.00 -0.83 -2.22 0.00 0.00 0.00 176.54 173.52 2jir h ILE 310 N 0.00 1.27 0.08 2.60 1.08 -1.57 -3.43 117.51 117.54 2jir h ILE 310 Ca -0.00 -2.29 -0.28 0.00 -0.39 0.00 0.00 64.86 61.89 2jir h ILE 310 Cb 0.50 2.76 0.03 0.00 -3.07 0.00 0.00 36.82 37.04 2jir h ILE 310 CO 0.03 0.51 -1.15 0.78 -0.69 0.00 0.00 178.15 177.63 2jir h ASN 311 N -0.84 0.87 -0.07 1.72 2.35 -1.09 -3.39 115.58 115.12 2jir h ASN 311 Ca -0.21 -0.80 -0.71 0.00 -0.55 0.00 0.00 56.30 54.03 2jir h ASN 311 Cb 1.30 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 39.36 2jir h ASN 311 CO -0.07 1.57 3.18 0.00 -1.65 0.00 0.00 177.43 180.46 2jir n GLN 312 N -3.84 3.00 -3.69 0.81 6.02 0.95 -4.55 117.38 116.08 2jir n GLN 312 Ca -0.13 -2.60 -0.14 0.00 -0.01 0.00 0.00 57.00 54.13 2jir n GLN 312 Cb 0.94 -3.21 -0.09 0.00 1.02 0.00 0.00 30.24 28.90 2jir n GLN 312 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2jir s ARG 313 N 2.92 0.64 0.52 -1.09 1.81 -1.25 -3.02 118.95 119.49 2jir s ARG 313 Ca 0.50 0.69 0.35 0.00 -1.72 0.00 0.00 55.73 55.55 2jir s ARG 313 Cb 0.14 0.31 1.80 0.00 -0.45 0.00 0.00 34.95 36.75 2jir s ARG 313 CO -0.08 -0.09 2.07 -0.39 -0.68 0.00 0.00 175.30 176.13 2jir h VAL 314 N 4.24 0.00 -0.50 3.52 -1.51 -1.85 0.12 116.25 120.27 2jir h VAL 314 Ca -0.28 -0.12 -0.30 0.00 -1.23 0.00 0.00 66.70 64.77 2jir h VAL 314 Cb 1.17 0.97 -0.18 0.00 -2.13 0.00 0.00 31.29 31.12 2jir h VAL 314 CO 0.18 0.00 -0.07 0.00 -1.23 0.00 0.00 177.57 176.45 2jir n GLN 315 N -2.81 2.18 0.16 5.19 6.02 -1.26 -4.24 117.38 122.62 2jir n GLN 315 Ca -0.01 -3.34 -0.14 0.00 -0.01 0.00 0.00 57.00 53.49 2jir n GLN 315 Cb 0.12 -1.95 -0.08 0.00 1.02 0.00 0.00 30.24 29.36 2jir n GLN 315 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2jir h GLY 316 N 1.26 -0.34 0.93 1.08 0.00 -1.16 0.16 103.07 105.01 2jir h GLY 316 Ca 0.30 0.13 0.02 0.00 0.00 0.00 0.00 47.33 47.77 2jir h GLY 316 CO 0.59 -0.12 0.28 -2.08 0.00 0.00 0.00 176.54 175.21 2jir h VAL 317 N -0.35 1.07 -0.17 4.60 2.07 -1.82 -2.10 116.25 119.55 2jir h VAL 317 Ca -0.03 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.29 2jir h VAL 317 Cb 0.27 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 2jir h VAL 317 CO 0.05 0.10 0.11 -0.26 0.02 0.00 0.00 177.57 177.60 2jir h PHE 318 N 0.57 0.20 -0.70 1.57 -1.00 -1.86 0.24 116.94 115.96 2jir h PHE 318 Ca 0.18 0.01 0.07 0.00 2.81 0.00 0.00 57.97 61.03 2jir h PHE 318 Cb -0.02 -0.07 -0.06 0.00 3.61 0.00 0.00 35.95 39.42 2jir h PHE 318 CO -0.06 0.13 0.39 0.00 -1.61 0.00 0.00 178.31 177.16 2jir h ALA 319 N 1.07 0.95 -0.52 2.45 0.00 -0.87 0.23 119.26 122.57 2jir h ALA 319 Ca 0.06 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.01 2jir h ALA 319 Cb -0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2jir h ALA 319 CO -0.02 0.07 0.32 -0.91 0.00 0.00 0.00 179.25 178.71 2jir h ASN 320 N 0.71 0.54 -0.94 0.00 2.35 -0.76 -2.39 115.58 115.09 2jir h ASN 320 Ca 0.32 -0.00 0.04 0.00 -0.55 0.00 0.00 56.30 56.11 2jir h ASN 320 Cb 0.22 -0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.41 2jir h ASN 320 CO -0.20 0.38 0.61 0.78 -1.65 0.00 0.00 177.43 177.36 2jir h ASN 321 N 0.65 1.01 0.24 5.81 -0.26 -0.08 -2.21 115.58 120.74 2jir h ASN 321 Ca 0.20 -0.01 -0.12 0.00 -0.56 0.00 0.00 56.30 55.82 2jir h ASN 321 Cb -0.01 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.00 2jir h ASN 321 CO -0.08 0.69 -0.45 -0.07 -1.06 0.00 0.00 177.43 176.47 2jir h LEU 322 N 1.17 0.28 0.09 1.61 4.07 -0.64 0.14 115.31 122.03 2jir h LEU 322 Ca 0.38 -0.13 -0.00 0.00 0.08 0.00 0.00 57.88 58.20 2jir h LEU 322 Cb 0.03 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.69 2jir h LEU 322 CO -0.12 0.70 -0.05 0.40 -1.08 0.00 0.00 178.44 178.29 2jir h ILE 323 N 0.22 1.05 -0.72 1.22 2.04 -1.14 -3.07 117.51 117.10 2jir h ILE 323 Ca 0.02 -0.54 0.12 0.00 1.00 0.00 0.00 64.86 65.46 2jir h ILE 323 Cb 0.88 1.40 -0.05 0.00 -0.74 0.00 0.00 36.82 38.31 2jir h ILE 323 CO 0.07 0.13 0.48 0.45 0.00 0.00 0.00 178.15 179.28 2jir h HIS 324 N -0.37 0.55 -0.72 1.37 3.86 -1.06 -2.55 115.15 116.22 2jir h HIS 324 Ca -0.01 0.02 0.10 0.00 -1.16 0.00 0.00 60.37 59.31 2jir h HIS 324 Cb 0.31 -0.17 -0.07 0.00 1.06 0.00 0.00 27.41 28.54 2jir h HIS 324 CO 0.01 0.23 0.36 -0.91 0.86 0.00 0.00 177.93 178.48 2jir h ASN 325 N 0.49 0.46 -0.50 2.45 2.35 -0.64 -0.71 115.58 119.48 2jir h ASN 325 Ca 0.34 0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 56.09 2jir h ASN 325 Cb 0.67 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.00 2jir h ASN 325 CO -0.11 0.26 0.06 -0.07 -1.65 0.00 0.00 177.43 175.92 2jir h LEU 326 N 0.60 0.81 -0.80 1.61 3.38 -1.44 0.21 115.31 119.68 2jir h LEU 326 Ca 0.35 -0.27 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 2jir h LEU 326 Cb 0.38 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2jir h LEU 326 CO -0.27 0.88 -0.34 0.45 0.09 0.00 0.00 178.44 179.25 2jir h HIS 327 N 0.71 0.60 0.08 1.13 3.86 -1.48 -3.07 115.15 116.98 2jir h HIS 327 Ca 0.15 -0.15 -0.25 0.00 -1.16 0.00 0.00 60.37 58.96 2jir h HIS 327 Cb 0.42 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.76 2jir h HIS 327 CO 0.03 0.79 -1.11 -0.07 0.86 0.00 0.00 177.93 178.43 2jir h LEU 328 N 0.44 0.44 -1.41 2.43 3.38 -0.72 0.27 115.31 120.15 2jir h LEU 328 Ca 0.05 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 2jir h LEU 328 Cb 0.80 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 2jir h LEU 328 CO 0.06 1.28 -0.04 -0.29 0.09 0.00 0.00 178.44 179.55 2jir h ILE 329 N 0.13 0.11 0.00 1.22 6.09 -0.63 -3.26 117.51 121.16 2jir h ILE 329 Ca -0.11 -0.62 0.00 0.00 -1.37 0.00 0.00 64.86 62.77 2jir h ILE 329 Cb 1.80 1.55 0.00 0.00 0.47 0.00 0.00 36.82 40.65 2jir h ILE 329 CO 0.18 0.04 -1.06 0.35 -3.07 0.00 0.00 178.15 174.59 2jir n THR 330 N -3.15 0.00 -1.27 2.19 -2.24 -1.16 -1.15 114.28 107.50 2jir n THR 330 Ca 0.00 -0.25 -0.07 0.00 -2.27 0.00 0.00 64.05 61.47 2jir n THR 330 Cb 0.33 0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 69.09 2jir n THR 330 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jir n GLY 331 N 1.64 0.82 2.65 3.38 0.00 0.00 -4.48 105.19 109.19 2jir n GLY 331 Ca -0.00 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 2jir n GLY 331 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jir n GLN 332 N -2.71 3.09 -3.53 1.61 1.13 -0.70 -4.82 117.38 111.45 2jir n GLN 332 Ca -0.07 -2.58 -0.10 0.00 -1.94 0.00 0.00 57.00 52.31 2jir n GLN 332 Cb 0.24 -3.16 -0.04 0.00 0.11 0.00 0.00 30.24 27.40 2jir n GLN 332 CO 0.00 0.00 0.00 -1.50 -1.44 0.00 0.00 177.06 174.12 2jir s ILE 333 N 2.77 0.00 -1.57 5.09 2.07 -1.23 -3.13 121.20 125.20 2jir s ILE 333 Ca 0.51 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.71 2jir s ILE 333 Cb 0.15 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.75 2jir s ILE 333 CO -0.08 0.00 0.50 0.00 -1.91 0.00 0.00 174.94 173.45 2jir s ARG 335 N -5.62 0.47 0.18 0.00 3.52 -1.20 -4.99 118.95 111.31 2jir s ARG 335 Ca 0.26 -0.08 -0.32 0.00 -0.13 0.00 0.00 55.73 55.46 2jir s ARG 335 Cb -0.12 0.21 -0.11 0.00 -1.56 0.00 0.00 34.95 33.37 2jir s ARG 335 CO 0.32 -0.11 1.72 -2.14 -0.81 0.00 0.00 175.30 174.28 2jir s PRO 336 N -0.84 4.14 0.00 5.12 0.02 -1.26 -1.92 135.00 140.26 2jir s PRO 336 Ca -0.09 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.49 2jir s PRO 336 Cb -0.05 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.28 2jir s PRO 336 CO 0.02 -0.75 0.00 0.41 -0.33 0.00 0.00 177.00 176.35 2jir n GLY 337 N 3.99 3.35 2.95 0.52 0.00 -1.25 -4.77 105.19 109.99 2jir n GLY 337 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2jir n GLY 337 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jir s ALA 338 N -2.92 2.14 -0.06 4.61 0.00 -0.81 -2.97 121.76 121.76 2jir s ALA 338 Ca 0.00 -1.61 -0.31 0.00 0.00 0.00 0.00 51.96 50.04 2jir s ALA 338 Cb 0.00 -1.55 0.11 0.00 0.00 0.00 0.00 23.12 21.68 2jir s ALA 338 CO 0.00 -1.31 1.03 -0.08 0.00 0.00 0.00 175.76 175.40 2jir s THR 339 N 1.30 0.00 -0.61 0.00 -1.32 -0.95 -2.90 115.64 111.15 2jir s THR 339 Ca -0.02 -0.07 -0.05 0.00 -1.21 0.00 0.00 61.69 60.34 2jir s THR 339 Cb -0.19 -1.14 0.16 0.00 -1.51 0.00 0.00 72.50 69.82 2jir s THR 339 CO -0.08 0.00 0.45 -0.55 -2.21 0.00 0.00 174.62 172.23 2jir s SER 340 N -2.44 5.50 -0.49 8.08 0.15 -1.26 -2.18 113.70 121.06 2jir s SER 340 Ca 0.08 -2.64 -0.07 0.00 0.70 0.00 0.00 55.95 54.02 2jir s SER 340 Cb -0.01 -1.92 0.13 0.00 -1.71 0.00 0.00 66.02 62.51 2jir s SER 340 CO -0.06 -0.45 0.34 0.12 1.20 0.00 0.00 173.24 174.39 2jir s PHE 341 N 0.26 3.48 0.10 3.44 5.36 0.28 -4.63 117.98 126.26 2jir s PHE 341 Ca 0.15 -2.11 -0.31 0.00 -0.96 0.00 0.00 56.93 53.70 2jir s PHE 341 Cb -0.20 -3.42 -0.08 0.00 -0.34 0.00 0.00 43.02 38.99 2jir s PHE 341 CO -0.04 -0.97 1.44 0.45 -1.46 0.00 0.00 175.22 174.63 2jir s SER 342 N 2.23 6.78 -0.04 6.13 0.15 -1.26 -3.85 113.70 123.83 2jir s SER 342 Ca 0.08 2.35 -0.21 0.00 0.70 0.00 0.00 55.95 58.87 2jir s SER 342 Cb -0.24 -2.58 -0.05 0.00 -1.71 0.00 0.00 66.02 61.44 2jir s SER 342 CO -0.02 -0.70 0.60 -0.76 1.20 0.00 0.00 173.24 173.55 2jir s LEU 343 N 1.43 4.36 -0.15 3.45 1.43 -0.96 -4.82 118.68 123.42 2jir s LEU 343 Ca 0.66 1.10 -0.07 0.00 -1.03 0.00 0.00 54.13 54.79 2jir s LEU 343 Cb -0.37 -2.92 -0.04 0.00 0.03 0.00 0.00 46.19 42.89 2jir s LEU 343 CO 0.30 0.03 0.11 -0.89 0.23 0.00 0.00 176.35 176.12 2jir s THR 344 N 0.22 5.20 0.03 5.49 2.01 -1.26 -4.71 115.64 122.63 2jir s THR 344 Ca 0.32 0.10 -0.11 0.00 0.31 0.00 0.00 61.69 62.31 2jir s THR 344 Cb -0.17 -3.30 -0.33 0.00 0.01 0.00 0.00 72.50 68.71 2jir s THR 344 CO 0.16 0.54 0.99 1.23 -0.69 0.00 0.00 174.62 176.85 2jir h GLY 345 N 5.78 0.50 -3.74 4.40 0.00 -1.97 -3.30 103.07 104.74 2jir h GLY 345 Ca -0.47 -1.27 -0.54 0.00 0.00 0.00 0.00 47.33 45.04 2jir h GLY 345 CO 0.65 1.11 -0.26 1.20 0.00 0.00 0.00 176.54 179.24 2jir s GLN 346 N -2.61 3.59 0.50 4.80 -0.21 -1.26 -1.33 119.66 123.14 2jir s GLN 346 Ca -0.08 -0.14 0.22 0.00 0.02 0.00 0.00 55.36 55.37 2jir s GLN 346 Cb 0.05 -2.78 1.31 0.00 1.00 0.00 0.00 33.01 32.60 2jir s GLN 346 CO 0.91 0.36 2.08 -1.00 -2.12 0.00 0.00 175.29 175.52 2jir h PRO 347 N 2.18 0.00 0.00 2.91 0.13 -1.64 -3.30 132.00 132.27 2jir h PRO 347 Ca -0.47 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.52 2jir h PRO 347 Cb 1.18 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.02 2jir h PRO 347 CO 0.69 0.12 -0.90 -1.71 -0.23 0.00 0.00 178.00 175.97 2jir n ASN 348 N -4.02 0.80 -0.13 1.44 5.15 0.14 -3.56 115.26 115.08 2jir n ASN 348 Ca -0.02 -2.05 -0.01 0.00 -0.60 0.00 0.00 54.58 51.89 2jir n ASN 348 Cb 0.20 -0.28 0.23 0.00 -0.53 0.00 0.00 39.78 39.40 2jir n ASN 348 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jir h ALA 349 N 0.76 1.32 0.32 5.20 0.00 -1.61 -1.44 119.26 123.81 2jir h ALA 349 Ca -0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2jir h ALA 349 Cb 1.76 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.33 2jir h ALA 349 CO 0.07 0.50 -0.15 0.00 0.00 0.00 0.00 179.25 179.68 2jir h GLY 351 N -0.78 -0.14 0.75 0.00 0.00 -1.52 0.50 103.07 101.88 2jir h GLY 351 Ca -0.04 0.12 -0.33 0.00 0.00 0.00 0.00 47.33 47.07 2jir h GLY 351 CO 0.07 -0.11 -1.70 -1.33 0.00 0.00 0.00 176.54 173.48 2jir h GLY 352 N -0.19 0.38 0.00 4.60 0.00 -1.41 -3.18 103.07 103.27 2jir h GLY 352 Ca 0.03 -0.96 -0.37 0.00 0.00 0.00 0.00 47.33 46.03 2jir h GLY 352 CO -0.08 0.84 -2.27 -0.62 0.00 0.00 0.00 176.54 174.41 2jir n VAL 353 N -3.68 1.26 -0.06 4.60 0.31 -1.07 -3.93 118.33 115.76 2jir n VAL 353 Ca -0.26 -0.37 -0.10 0.00 -0.01 0.00 0.00 64.34 63.60 2jir n VAL 353 Cb 1.02 -1.63 -0.09 0.00 -0.91 0.00 0.00 33.84 32.22 2jir n VAL 353 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2jir h ARG 354 N -0.56 -0.01 -0.36 5.55 3.08 -0.84 0.11 114.38 121.35 2jir h ARG 354 Ca -0.55 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.40 2jir h ARG 354 Cb 1.59 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.63 2jir h ARG 354 CO -0.26 0.68 -0.14 -0.44 -1.07 0.00 0.00 179.97 178.74 2jir h ASP 355 N -0.99 0.75 0.09 7.04 3.32 -1.07 -2.90 116.42 122.66 2jir h ASP 355 Ca -0.00 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.66 2jir h ASP 355 Cb 0.69 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.04 2jir h ASP 355 CO 0.00 0.98 0.00 0.61 -1.72 0.00 0.00 179.24 179.11 2jir n GLY 356 N -0.10 -0.62 3.85 2.75 0.00 -1.20 -0.81 105.19 109.07 2jir n GLY 356 Ca -0.02 -0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 2jir n GLY 356 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jir n GLY 357 N 0.08 -0.38 2.59 -0.02 0.00 -1.00 -3.75 105.19 102.71 2jir n GLY 357 Ca 0.11 0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.93 2jir n GLY 357 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jir n ALA 358 N -4.47 6.40 -2.45 4.61 0.00 0.33 -4.05 120.51 120.87 2jir n ALA 358 Ca -0.14 -3.70 -0.23 0.00 0.00 0.00 0.00 53.44 49.37 2jir n ALA 358 Cb 0.60 -1.88 -0.10 0.00 0.00 0.00 0.00 19.45 18.07 2jir n ALA 358 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jir s LEU 359 N -3.83 2.58 0.46 0.00 1.02 -1.25 -4.17 118.68 113.49 2jir s LEU 359 Ca 0.58 -1.14 0.17 0.00 0.02 0.00 0.00 54.13 53.76 2jir s LEU 359 Cb 0.47 -0.81 1.10 0.00 0.02 0.00 0.00 46.19 46.96 2jir s LEU 359 CO -0.20 -0.22 2.00 0.77 0.02 0.00 0.00 176.35 178.72 2jir h SER 360 N 2.25 0.00 -0.45 2.29 4.64 -0.25 -2.69 113.55 119.34 2jir h SER 360 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 2jir h SER 360 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2jir h SER 360 CO 0.66 0.18 0.00 0.00 -0.87 0.00 0.00 176.83 176.80 2jir n HIS 361 N -4.16 0.59 -4.49 4.77 1.44 -1.26 -1.82 115.22 110.28 2jir n HIS 361 Ca -0.02 -0.29 -0.24 0.00 -2.01 0.00 0.00 57.72 55.15 2jir n HIS 361 Cb 0.25 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.26 2jir n HIS 361 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2jir s LEU 362 N -1.41 2.64 0.17 2.39 1.43 -1.01 -2.02 118.68 120.87 2jir s LEU 362 Ca 0.41 -1.14 0.05 0.00 -1.03 0.00 0.00 54.13 52.41 2jir s LEU 362 Cb 0.23 -0.94 -0.05 0.00 0.03 0.00 0.00 46.19 45.46 2jir s LEU 362 CO 0.32 -0.16 -0.09 -0.76 0.23 0.00 0.00 176.35 175.90 2jir s LEU 363 N -3.54 2.47 0.48 1.79 1.43 -0.25 -4.59 118.68 116.47 2jir s LEU 363 Ca 0.31 -1.05 -0.24 0.00 -1.03 0.00 0.00 54.13 52.11 2jir s LEU 363 Cb 0.00 -0.37 -0.08 0.00 0.03 0.00 0.00 46.19 45.78 2jir s LEU 363 CO 0.15 -0.35 1.33 -2.65 0.23 0.00 0.00 176.35 175.06 2jir n PRO 364 N -0.26 1.92 -3.47 1.29 -0.02 -1.25 -2.78 135.00 130.43 2jir n PRO 364 Ca -0.09 0.69 -0.19 0.00 -2.02 0.00 0.00 63.50 61.89 2jir n PRO 364 Cb 0.61 -2.51 0.06 0.00 -0.02 0.00 0.00 33.50 31.65 2jir n PRO 364 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jir n ALA 365 N -0.52 -2.22 -0.10 3.55 0.00 0.01 -3.21 120.51 118.02 2jir n ALA 365 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2jir n ALA 365 Cb 0.42 -3.52 0.00 0.00 0.00 0.00 0.00 19.45 16.35 2jir n ALA 365 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jir n GLY 366 N -1.34 0.89 3.87 0.00 0.00 -1.25 -4.75 105.19 102.61 2jir n GLY 366 Ca -0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 2jir n GLY 366 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jir s ARG 367 N -0.67 3.79 0.03 1.61 0.52 -1.12 -4.95 118.95 118.16 2jir s ARG 367 Ca 0.00 0.64 0.08 0.00 -0.52 0.00 0.00 55.73 55.93 2jir s ARG 367 Cb 0.00 -2.27 -0.03 0.00 0.52 0.00 0.00 34.95 33.18 2jir s ARG 367 CO 0.00 -0.20 -0.24 0.00 0.02 0.00 0.00 175.30 174.88 2jir s ALA 368 N -2.59 2.08 0.11 2.13 0.00 -1.26 -1.09 121.76 121.13 2jir s ALA 368 Ca 0.54 -1.17 -0.21 0.00 0.00 0.00 0.00 51.96 51.12 2jir s ALA 368 Cb -0.10 -0.45 -0.10 0.00 0.00 0.00 0.00 23.12 22.47 2jir s ALA 368 CO 0.36 0.49 1.75 0.82 0.00 0.00 0.00 175.76 179.18 2jir h ILE 369 N 4.32 1.00 0.00 0.00 1.08 -1.66 -2.80 117.51 119.46 2jir h ILE 369 Ca -0.44 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 63.98 2jir h ILE 369 Cb 1.14 0.87 0.00 0.00 -3.07 0.00 0.00 36.82 35.76 2jir h ILE 369 CO 0.44 0.02 0.00 -2.65 -0.69 0.00 0.00 178.15 175.28 2jir n PRO 370 N -5.04 0.02 -3.24 2.37 -0.02 -1.26 -4.59 135.00 123.24 2jir n PRO 370 Ca -0.05 0.36 -0.43 0.00 -2.02 0.00 0.00 63.50 61.36 2jir n PRO 370 Cb 0.04 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 31.94 2jir n PRO 370 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2jir s ASN 371 N -2.88 6.25 0.30 2.55 3.84 -1.06 -4.95 114.94 119.00 2jir s ASN 371 Ca 0.03 -0.49 -0.01 0.00 0.21 0.00 0.00 52.86 52.60 2jir s ASN 371 Cb 0.04 -2.26 0.47 0.00 -0.55 0.00 0.00 41.25 38.94 2jir s ASN 371 CO 0.09 -0.63 1.97 0.00 -2.79 0.00 0.00 177.10 175.74 2jir h ALA 372 N 8.75 1.43 -0.54 1.71 0.00 -1.86 -1.73 119.26 127.02 2jir h ALA 372 Ca -0.26 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 2jir h ALA 372 Cb 1.11 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2jir h ALA 372 CO 0.82 0.52 0.15 0.87 0.00 0.00 0.00 179.25 181.62 2jir h LYS 373 N 1.09 0.85 -0.53 0.00 6.56 -1.94 -2.09 116.57 120.52 2jir h LYS 373 Ca 0.30 -0.19 -0.03 0.00 -1.06 0.00 0.00 60.65 59.67 2jir h LYS 373 Cb -0.10 -0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 31.41 2jir h LYS 373 CO -0.07 0.79 0.21 0.45 -2.06 0.00 0.00 179.45 178.78 2jir h HIS 374 N 0.75 0.80 -0.14 -1.35 3.86 -1.68 0.30 115.15 117.70 2jir h HIS 374 Ca 0.17 -0.06 0.04 0.00 -1.16 0.00 0.00 60.37 59.36 2jir h HIS 374 Cb 0.31 -0.24 -0.04 0.00 1.06 0.00 0.00 27.41 28.50 2jir h HIS 374 CO 0.02 0.66 -0.10 0.00 0.86 0.00 0.00 177.93 179.37 2jir h ARG 375 N 0.71 -0.10 -0.60 2.45 3.08 -1.23 -1.71 114.38 116.98 2jir h ARG 375 Ca 0.18 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.26 2jir h ARG 375 Cb 0.20 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 2jir h ARG 375 CO -0.01 -0.07 0.37 0.00 -1.07 0.00 0.00 179.97 179.18 2jir h ALA 376 N 1.00 0.77 -0.92 0.04 0.00 -1.16 -0.02 119.26 118.97 2jir h ALA 376 Ca 0.09 -0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.18 2jir h ALA 376 Cb 0.24 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 2jir h ALA 376 CO -0.21 0.11 0.60 0.93 0.00 0.00 0.00 179.25 180.68 2jir h GLU 377 N 0.73 0.48 0.19 0.00 5.08 -0.61 -1.43 114.58 119.02 2jir h GLU 377 Ca 0.24 -0.03 -0.35 0.00 -1.00 0.00 0.00 59.36 58.22 2jir h GLU 377 Cb 0.01 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.17 2jir h GLU 377 CO -0.10 0.32 -1.74 0.52 -1.00 0.00 0.00 179.01 177.01 2jir h MET 378 N 0.50 0.40 -0.82 2.33 2.86 -0.58 -2.61 114.93 117.00 2jir h MET 378 Ca 0.49 -0.68 0.03 0.00 -2.06 0.00 0.00 59.70 57.48 2jir h MET 378 Cb 1.08 0.25 -0.05 0.00 0.06 0.00 0.00 31.60 32.94 2jir h MET 378 CO -0.21 1.33 0.53 0.93 1.06 0.00 0.00 176.91 180.54 2jir h GLU 379 N 0.09 0.99 -0.03 1.72 5.08 -0.86 0.74 114.58 122.32 2jir h GLU 379 Ca -0.34 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2jir h GLU 379 Cb 2.09 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 31.12 2jir h GLU 379 CO 0.18 0.66 0.01 -0.22 -1.00 0.00 0.00 179.01 178.64 2jir h LYS 380 N 1.02 0.04 -0.56 2.33 3.64 -1.38 0.60 116.57 122.26 2jir h LYS 380 Ca 0.33 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.63 2jir h LYS 380 Cb 0.01 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 2jir h LYS 380 CO -0.12 0.13 0.05 -0.07 -2.27 0.00 0.00 179.45 177.18 2jir h LEU 381 N -0.06 0.89 -1.02 5.20 3.38 -1.12 -2.95 115.31 119.62 2jir h LEU 381 Ca 0.01 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2jir h LEU 381 Cb 0.10 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2jir h LEU 381 CO -0.00 0.91 -0.11 0.79 0.09 0.00 0.00 178.44 180.13 2jir n TRP 382 N -4.22 0.00 -3.14 1.13 8.01 0.22 -4.99 117.44 114.46 2jir n TRP 382 Ca 0.03 0.00 -0.14 0.00 -1.31 0.00 0.00 57.50 56.09 2jir n TRP 382 Cb 0.29 -0.03 0.07 0.00 -2.01 0.00 0.00 31.31 29.63 2jir n TRP 382 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2jir n GLY 383 N 1.27 -0.27 3.81 6.99 0.00 -0.39 -4.82 105.19 111.77 2jir n GLY 383 Ca 0.16 0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 2jir n GLY 383 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jir s LEU 384 N -5.48 3.78 0.63 0.99 1.43 0.20 -5.01 118.68 115.22 2jir s LEU 384 Ca 0.04 -0.23 -0.17 0.00 -1.03 0.00 0.00 54.13 52.75 2jir s LEU 384 Cb -0.01 -2.34 -0.02 0.00 0.03 0.00 0.00 46.19 43.86 2jir s LEU 384 CO 0.59 -0.00 1.13 -2.84 0.23 0.00 0.00 176.35 175.47 2jir s PRO 385 N -3.59 2.90 0.34 1.29 0.02 -1.26 -4.67 135.00 130.03 2jir s PRO 385 Ca 0.32 1.53 -0.29 0.00 0.02 0.00 0.00 61.00 62.58 2jir s PRO 385 Cb -0.09 -1.95 -0.11 0.00 0.02 0.00 0.00 34.50 32.37 2jir s PRO 385 CO 0.24 -1.19 1.47 -1.21 -0.33 0.00 0.00 177.00 175.98 2jir s GLU 386 N -3.78 4.17 0.00 5.54 2.02 -1.26 -2.57 118.70 122.81 2jir s GLU 386 Ca 0.70 2.49 0.00 0.00 0.02 0.00 0.00 54.97 58.18 2jir s GLU 386 Cb -0.23 -3.01 0.00 0.00 0.10 0.00 0.00 34.13 30.99 2jir s GLU 386 CO 0.37 -0.48 0.00 0.41 0.02 0.00 0.00 175.26 175.58 2jir n GLY 387 N 1.03 1.02 0.23 -1.39 0.00 -1.26 -4.91 105.19 99.92 2jir n GLY 387 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 2jir n GLY 387 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2jir h ARG 388 N 3.11 0.59 -6.23 1.61 9.65 -1.88 -3.39 114.38 117.84 2jir h ARG 388 Ca 0.00 -0.04 -0.55 0.00 -1.10 0.00 0.00 59.98 58.29 2jir h ARG 388 Cb 0.00 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.43 2jir h ARG 388 CO 0.00 0.39 1.03 0.42 2.80 0.00 0.00 179.97 184.61 2jir s ILE 389 N -6.11 3.80 0.25 1.20 1.01 -1.26 -4.56 121.20 115.52 2jir s ILE 389 Ca -0.13 0.97 -0.30 0.00 0.00 0.00 0.00 60.65 61.20 2jir s ILE 389 Cb 0.15 -3.63 -0.09 0.00 0.01 0.00 0.00 42.46 38.90 2jir s ILE 389 CO 0.75 -0.08 1.28 0.00 0.00 0.00 0.00 174.94 176.89 2jir s ALA 390 N 3.85 3.50 -0.68 9.38 0.00 -1.26 -4.95 121.76 131.60 2jir s ALA 390 Ca 0.67 1.13 0.23 0.00 0.00 0.00 0.00 51.96 53.99 2jir s ALA 390 Cb -0.30 -3.46 0.90 0.00 0.00 0.00 0.00 23.12 20.26 2jir s ALA 390 CO 0.25 -0.52 1.71 -0.35 0.00 0.00 0.00 175.76 176.85 2jir n PRO 391 N 1.92 0.16 -3.45 0.00 -0.04 -1.26 -4.80 135.00 127.53 2jir n PRO 391 Ca 0.03 0.30 -0.38 0.00 -0.04 0.00 0.00 63.50 63.42 2jir n PRO 391 Cb 0.43 -1.76 -0.06 0.00 -0.04 0.00 0.00 33.50 32.07 2jir n PRO 391 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2jir s GLU 392 N -3.18 4.15 0.48 0.54 2.56 -1.26 -4.15 118.70 117.84 2jir s GLU 392 Ca 0.07 0.34 -0.24 0.00 0.00 0.00 0.00 54.97 55.15 2jir s GLU 392 Cb 0.11 -3.35 -0.08 0.00 2.00 0.00 0.00 34.13 32.81 2jir s GLU 392 CO 0.44 0.38 1.27 -2.30 -0.56 0.00 0.00 175.26 174.49 2jir n PRO 393 N 2.94 1.77 -0.08 4.30 -0.02 -1.26 -4.67 135.00 137.98 2jir n PRO 393 Ca -0.11 0.64 -0.02 0.00 -2.02 0.00 0.00 63.50 61.99 2jir n PRO 393 Cb 0.52 -2.42 0.01 0.00 -0.02 0.00 0.00 33.50 31.59 2jir n PRO 393 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jir n GLY 394 N 0.84 -2.11 3.70 -1.23 0.00 -0.76 -4.95 105.19 100.68 2jir n GLY 394 Ca 0.08 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 2jir n GLY 394 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jir s TYR 395 N -1.14 3.12 0.66 1.61 1.51 -1.26 -4.75 117.35 117.11 2jir s TYR 395 Ca 0.05 1.07 -0.13 0.00 -1.01 0.00 0.00 57.07 57.05 2jir s TYR 395 Cb -0.00 -3.53 -0.01 0.00 -0.11 0.00 0.00 41.96 38.31 2jir s TYR 395 CO 0.03 -1.80 1.06 -3.38 -1.11 0.00 0.00 175.55 170.36 2jir s HIS 396 N 1.96 3.04 0.19 2.71 -3.43 -1.26 -4.56 115.29 113.94 2jir s HIS 396 Ca 0.60 1.46 -0.23 0.00 -0.80 0.00 0.00 55.06 56.09 2jir s HIS 396 Cb -0.29 -2.94 0.10 0.00 -1.43 0.00 0.00 32.58 28.02 2jir s HIS 396 CO 0.26 -1.22 1.57 1.15 -2.00 0.00 0.00 174.74 174.50 2jir h THR 397 N -0.30 0.09 -0.20 -5.38 2.02 -1.90 0.88 112.91 108.11 2jir h THR 397 Ca -0.45 0.00 0.02 0.00 0.77 0.00 0.00 66.41 66.75 2jir h THR 397 Cb 1.21 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 2jir h THR 397 CO 0.57 0.00 0.07 0.58 0.37 0.00 0.00 175.52 177.11 2jir h VAL 398 N -0.15 0.95 0.00 3.16 2.07 -1.93 -1.34 116.25 119.01 2jir h VAL 398 Ca 0.23 -0.06 -0.11 0.00 0.82 0.00 0.00 66.70 67.58 2jir h VAL 398 Cb 0.56 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 2jir h VAL 398 CO -0.76 0.03 -0.52 0.00 0.02 0.00 0.00 177.57 176.33 2jir h ALA 399 N 1.12 0.88 0.03 1.67 0.00 -1.40 -1.52 119.26 120.03 2jir h ALA 399 Ca 0.09 -0.47 0.02 0.00 0.00 0.00 0.00 54.91 54.54 2jir h ALA 399 Cb 0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2jir h ALA 399 CO -0.09 0.65 -0.13 1.25 0.00 0.00 0.00 179.25 180.93 2jir h LEU 400 N 0.00 -0.38 -0.61 0.00 5.85 0.11 0.17 115.31 120.45 2jir h LEU 400 Ca -0.01 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.68 2jir h LEU 400 Cb 1.11 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 2jir h LEU 400 CO 0.07 -0.19 -0.44 -0.26 -0.34 0.00 0.00 178.44 177.28 2jir h PHE 401 N -0.24 0.00 -0.46 1.25 0.04 -1.06 -0.71 116.94 115.77 2jir h PHE 401 Ca 0.04 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.72 2jir h PHE 401 Cb 0.28 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 2jir h PHE 401 CO -0.18 0.44 -0.07 0.93 -0.60 0.00 0.00 178.31 178.83 2jir h GLU 402 N 0.00 0.86 -0.47 1.51 5.08 -1.11 -2.36 114.58 118.09 2jir h GLU 402 Ca -0.00 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 57.99 2jir h GLU 402 Cb 1.08 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 2jir h GLU 402 CO 0.06 0.95 0.07 0.00 -1.00 0.00 0.00 179.01 179.08 2jir h ALA 403 N 0.89 1.25 -0.75 3.43 0.00 -0.09 -1.79 119.26 122.19 2jir h ALA 403 Ca 0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2jir h ALA 403 Cb 0.61 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 2jir h ALA 403 CO 0.04 0.51 0.38 1.25 0.00 0.00 0.00 179.25 181.43 2jir h LEU 404 N 0.70 0.95 -1.04 0.00 5.85 -1.09 -0.85 115.31 119.83 2jir h LEU 404 Ca 0.15 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 2jir h LEU 404 Cb 0.33 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2jir h LEU 404 CO 0.01 0.79 -0.28 1.23 -0.34 0.00 0.00 178.44 179.84 2jir h GLY 405 N 1.10 0.37 1.74 3.75 0.00 -0.80 -2.95 103.07 106.28 2jir h GLY 405 Ca 0.26 -0.30 -0.09 0.00 0.00 0.00 0.00 47.33 47.20 2jir h GLY 405 CO -0.04 0.27 -0.63 3.21 0.00 0.00 0.00 176.54 179.36 2jir h ARG 406 N 0.30 0.00 0.00 4.80 3.08 -1.21 -3.46 114.38 117.89 2jir h ARG 406 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2jir h ARG 406 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 2jir h ARG 406 CO 0.05 0.35 0.00 0.41 -1.07 0.00 0.00 179.97 179.71 2jir n GLY 407 N 1.23 0.71 0.24 0.04 0.00 -0.74 -4.97 105.19 101.70 2jir n GLY 407 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2jir n GLY 407 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2jir h ASP 408 N 0.00 0.89 -3.75 1.61 3.45 -1.45 -3.39 116.42 113.79 2jir h ASP 408 Ca 0.00 -0.47 -0.65 0.00 0.43 0.00 0.00 57.03 56.33 2jir h ASP 408 Cb 0.00 -0.26 -0.17 0.00 -0.56 0.00 0.00 39.33 38.34 2jir h ASP 408 CO 0.00 1.26 -0.38 -0.69 -1.57 0.00 0.00 179.24 177.86 2jir s VAL 409 N -4.11 5.23 -0.23 -1.35 1.01 -0.88 -4.24 120.40 115.82 2jir s VAL 409 Ca -0.10 0.14 0.07 0.00 0.00 0.00 0.00 61.98 62.09 2jir s VAL 409 Cb 0.10 -3.70 -0.19 0.00 0.00 0.00 0.00 36.38 32.60 2jir s VAL 409 CO 0.88 0.07 -0.12 0.29 0.00 0.00 0.00 175.10 176.21 2jir n LYS 410 N 5.23 0.68 -5.02 2.72 5.02 0.23 -4.29 118.16 122.73 2jir n LYS 410 Ca -0.11 0.09 -0.32 0.00 -2.02 0.00 0.00 58.31 55.95 2jir n LYS 410 Cb 0.50 -1.51 -0.16 0.00 -0.02 0.00 0.00 35.03 33.84 2jir n LYS 410 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jir s MET 412 N 0.46 0.86 -0.20 0.00 1.75 -0.40 -1.59 119.30 120.17 2jir s MET 412 Ca -0.15 -0.37 -0.08 0.00 -1.25 0.00 0.00 55.69 53.84 2jir s MET 412 Cb -0.17 -0.83 -0.04 0.00 2.84 0.00 0.00 34.83 36.63 2jir s MET 412 CO 0.06 0.22 0.09 0.42 -0.65 0.00 0.00 175.02 175.16 2jir s ILE 413 N -0.21 4.93 -0.23 10.11 1.01 -0.62 -1.00 121.20 135.19 2jir s ILE 413 Ca 0.03 0.02 -0.07 0.00 0.00 0.00 0.00 60.65 60.63 2jir s ILE 413 Cb -0.04 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 39.14 2jir s ILE 413 CO -0.00 0.42 0.07 -0.63 0.00 0.00 0.00 174.94 174.80 2jir s ILE 414 N 0.66 4.47 -0.08 2.92 1.01 0.55 0.39 121.20 131.12 2jir s ILE 414 Ca 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 60.65 60.56 2jir s ILE 414 Cb -0.13 -3.07 0.03 0.00 0.01 0.00 0.00 42.46 39.30 2jir s ILE 414 CO 0.01 0.37 -0.02 0.00 0.00 0.00 0.00 174.94 175.30 2jir n GLU 416 N 5.04 -5.13 -4.02 0.00 2.13 -0.98 -3.90 120.64 113.78 2jir n GLU 416 Ca -0.09 0.64 -0.10 0.00 0.66 0.00 0.00 57.16 58.27 2jir n GLU 416 Cb 0.50 -5.50 -0.08 0.00 0.27 0.00 0.00 31.44 26.63 2jir n GLU 416 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2jir s THR 417 N -3.20 0.08 -0.48 6.31 -4.23 -1.26 -4.65 115.64 108.21 2jir s THR 417 Ca 0.54 -1.55 0.08 0.00 -1.18 0.00 0.00 61.69 59.58 2jir s THR 417 Cb -0.27 -1.90 0.30 0.00 1.34 0.00 0.00 72.50 71.97 2jir s THR 417 CO 0.67 -0.36 0.72 -3.20 -0.54 0.00 0.00 174.62 171.92 2jir n ASN 418 N -0.17 2.08 0.25 3.99 2.85 -1.26 -4.98 115.26 118.02 2jir n ASN 418 Ca -0.07 -3.16 0.17 0.00 -0.11 0.00 0.00 54.58 51.41 2jir n ASN 418 Cb 0.63 -0.62 0.77 0.00 1.24 0.00 0.00 39.78 41.80 2jir n ASN 418 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2jir h PRO 419 N 3.52 0.00 0.00 1.20 0.13 -1.98 -1.36 132.00 133.51 2jir h PRO 419 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2jir h PRO 419 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 2jir h PRO 419 CO 0.63 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.40 2jir n ALA 420 N -1.99 2.14 -0.04 -0.56 0.00 -1.26 -1.45 120.51 117.34 2jir n ALA 420 Ca -0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 53.44 53.28 2jir n ALA 420 Cb 0.20 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.23 2jir n ALA 420 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2jir n HIS 421 N -1.36 0.00 0.57 0.00 -0.00 -0.58 -4.84 115.22 109.00 2jir n HIS 421 Ca 0.09 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.87 2jir n HIS 421 Cb 0.22 -0.35 -0.02 0.00 -0.00 0.00 0.00 29.99 29.84 2jir n HIS 421 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 2jir n THR 422 N -2.66 0.00 -2.23 3.57 -2.24 -0.80 -4.66 114.28 105.26 2jir n THR 422 Ca -0.15 -0.33 -0.32 0.00 -2.27 0.00 0.00 64.05 60.97 2jir n THR 422 Cb 0.68 1.11 -0.01 0.00 -2.10 0.00 0.00 70.33 70.01 2jir n THR 422 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2jir s LEU 423 N -1.99 3.57 0.57 3.22 1.43 -0.53 -5.00 118.68 119.95 2jir s LEU 423 Ca 0.09 1.71 -0.11 0.00 -1.03 0.00 0.00 54.13 54.79 2jir s LEU 423 Cb 0.10 -4.52 -0.05 0.00 0.03 0.00 0.00 46.19 41.75 2jir s LEU 423 CO 0.36 -0.89 0.97 -2.16 0.23 0.00 0.00 176.35 174.86 2jir s PRO 424 N -4.03 3.67 -0.98 1.29 0.04 -1.26 -4.35 135.00 129.38 2jir s PRO 424 Ca 0.62 0.69 -0.08 0.00 0.04 0.00 0.00 61.00 62.26 2jir s PRO 424 Cb -0.13 -2.15 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 2jir s PRO 424 CO 0.33 -0.43 0.82 -1.71 0.04 0.00 0.00 177.00 176.06 2jir n ASN 425 N -2.38 -6.53 -0.15 6.66 2.85 -0.68 -4.74 115.26 110.30 2jir n ASN 425 Ca 0.05 -0.64 -0.03 0.00 -0.11 0.00 0.00 54.58 53.85 2jir n ASN 425 Cb 0.54 -4.60 0.17 0.00 1.24 0.00 0.00 39.78 37.13 2jir n ASN 425 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 2jir h LEU 426 N -0.85 0.82 -0.98 1.20 3.38 -0.68 -2.46 115.31 115.74 2jir h LEU 426 Ca -0.47 -0.14 0.07 0.00 0.09 0.00 0.00 57.88 57.42 2jir h LEU 426 Cb 1.25 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.72 2jir h LEU 426 CO 0.41 0.79 0.63 0.78 0.09 0.00 0.00 178.44 181.14 2jir h ASN 427 N 0.85 1.01 -0.38 -0.43 2.35 -1.84 0.61 115.58 117.75 2jir h ASN 427 Ca 0.19 0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.85 2jir h ASN 427 Cb 0.28 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 2jir h ASN 427 CO -0.00 0.63 -0.15 0.50 -1.65 0.00 0.00 177.43 176.76 2jir h LYS 428 N 1.14 0.77 -0.08 0.81 3.64 -1.87 -2.97 116.57 118.02 2jir h LYS 428 Ca 0.43 -0.32 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 2jir h LYS 428 Cb 0.19 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2jir h LYS 428 CO -0.18 0.94 -0.16 0.28 -2.27 0.00 0.00 179.45 178.06 2jir h VAL 429 N 0.57 1.41 -0.94 2.00 2.07 -0.92 -2.44 116.25 118.01 2jir h VAL 429 Ca 0.09 -1.47 0.14 0.00 0.82 0.00 0.00 66.70 66.28 2jir h VAL 429 Cb 0.69 2.18 -0.08 0.00 -1.52 0.00 0.00 31.29 32.56 2jir h VAL 429 CO 0.05 0.41 0.60 0.45 0.02 0.00 0.00 177.57 179.10 2jir h HIS 430 N -0.22 0.93 0.17 1.57 3.86 0.10 0.20 115.15 121.75 2jir h HIS 430 Ca 0.00 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 2jir h HIS 430 Cb 0.75 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.93 2jir h HIS 430 CO 0.11 0.33 -0.08 0.87 0.86 0.00 0.00 177.93 180.03 2jir h LYS 431 N 0.78 -0.22 -0.77 2.45 1.57 -1.48 -2.20 116.57 116.70 2jir h LYS 431 Ca 0.48 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 59.39 2jir h LYS 431 Cb 0.69 0.05 -0.08 0.00 0.08 0.00 0.00 32.23 32.96 2jir h LYS 431 CO -0.24 -0.01 0.38 0.00 -0.57 0.00 0.00 179.45 179.01 2jir h ALA 432 N 0.41 1.11 0.00 3.86 0.00 -0.78 -1.05 119.26 122.80 2jir h ALA 432 Ca -0.02 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2jir h ALA 432 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2jir h ALA 432 CO 0.04 -0.08 0.00 -1.33 0.00 0.00 0.00 179.25 177.87 2jir n MET 433 N -4.89 0.11 -0.39 0.00 2.81 0.61 -2.57 117.12 112.80 2jir n MET 433 Ca 0.14 0.28 0.12 0.00 -1.81 0.00 0.00 57.70 56.42 2jir n MET 433 Cb 0.35 -1.68 0.33 0.00 -0.71 0.00 0.00 33.22 31.51 2jir n MET 433 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2jir n SER 434 N -1.87 3.97 -4.68 7.83 7.64 -0.41 -4.95 113.62 121.16 2jir n SER 434 Ca 0.04 -2.03 -0.51 0.00 1.01 0.00 0.00 58.87 57.38 2jir n SER 434 Cb 0.25 -0.50 -0.05 0.00 -1.01 0.00 0.00 64.21 62.90 2jir n SER 434 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2jir n HIS 435 N 1.61 2.16 0.32 1.43 -0.00 -1.06 -4.80 115.22 114.87 2jir n HIS 435 Ca 0.25 0.25 0.14 0.00 0.46 0.00 0.00 57.72 58.82 2jir n HIS 435 Cb 0.63 -2.56 0.64 0.00 -0.12 0.00 0.00 29.99 28.59 2jir n HIS 435 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2jir h PRO 436 N 7.65 0.00 -0.35 1.57 0.13 -1.93 -2.27 132.00 136.80 2jir h PRO 436 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2jir h PRO 436 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2jir h PRO 436 CO 0.92 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 179.08 2jir n GLU 437 N -2.56 2.51 -2.60 0.86 -0.58 -1.26 -4.88 120.64 112.13 2jir n GLU 437 Ca 0.01 -2.02 -0.34 0.00 -0.42 0.00 0.00 57.16 54.38 2jir n GLU 437 Cb 0.20 -1.32 -0.04 0.00 -0.57 0.00 0.00 31.44 29.71 2jir n GLU 437 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2jir s SER 438 N -1.02 6.54 -0.27 1.62 1.04 -0.86 -4.95 113.70 115.80 2jir s SER 438 Ca 0.26 1.90 0.03 0.00 0.48 0.00 0.00 55.95 58.62 2jir s SER 438 Cb 0.14 -2.56 0.07 0.00 0.10 0.00 0.00 66.02 63.77 2jir s SER 438 CO 0.19 -0.64 -0.07 0.12 0.98 0.00 0.00 173.24 173.82 2jir s PHE 439 N -1.95 3.17 -0.21 5.02 5.36 0.11 -4.99 117.98 124.50 2jir s PHE 439 Ca 0.64 -2.34 -0.04 0.00 -0.96 0.00 0.00 56.93 54.23 2jir s PHE 439 Cb -0.16 -2.05 -0.01 0.00 -0.34 0.00 0.00 43.02 40.46 2jir s PHE 439 CO 0.20 -0.87 -0.03 0.42 -1.46 0.00 0.00 175.22 173.47 2jir s ILE 440 N 1.13 3.54 -0.17 3.12 1.01 -1.26 -1.28 121.20 127.29 2jir s ILE 440 Ca -0.04 -0.44 -0.03 0.00 0.00 0.00 0.00 60.65 60.13 2jir s ILE 440 Cb -0.20 -2.60 -0.02 0.00 0.01 0.00 0.00 42.46 39.65 2jir s ILE 440 CO -0.06 0.43 -0.06 -0.69 0.00 0.00 0.00 174.94 174.56 2jir s VAL 441 N 1.27 3.56 -0.18 2.92 1.01 -0.17 -0.77 120.40 128.05 2jir s VAL 441 Ca 0.03 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 2jir s VAL 441 Cb -0.14 -2.57 -0.00 0.00 0.00 0.00 0.00 36.38 33.67 2jir s VAL 441 CO -0.01 0.48 -0.11 0.00 0.00 0.00 0.00 175.10 175.46 2jir s ILE 443 N 1.07 5.09 -0.12 0.00 1.01 0.74 -1.09 121.20 127.90 2jir s ILE 443 Ca -0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 60.65 60.22 2jir s ILE 443 Cb -0.15 -4.03 0.04 0.00 0.01 0.00 0.00 42.46 38.33 2jir s ILE 443 CO -0.02 -0.41 0.31 -0.70 0.00 0.00 0.00 174.94 174.12 2jir s GLU 444 N 2.12 0.33 0.10 2.79 2.56 -1.21 -2.31 118.70 123.09 2jir s GLU 444 Ca 0.12 0.50 0.19 0.00 0.00 0.00 0.00 54.97 55.78 2jir s GLU 444 Cb -0.17 0.09 -0.10 0.00 2.00 0.00 0.00 34.13 35.94 2jir s GLU 444 CO 0.13 -0.08 0.85 0.00 -0.56 0.00 0.00 175.26 175.60 2jir n ALA 445 N 3.36 2.21 -3.58 6.30 0.00 -1.26 -4.32 120.51 123.21 2jir n ALA 445 Ca -0.17 -0.45 -0.28 0.00 0.00 0.00 0.00 53.44 52.54 2jir n ALA 445 Cb 0.57 -0.97 -0.17 0.00 0.00 0.00 0.00 19.45 18.88 2jir n ALA 445 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2jir s PHE 446 N -3.13 1.94 -0.67 0.00 0.40 -1.26 -1.38 117.98 113.89 2jir s PHE 446 Ca -0.03 -0.87 0.22 0.00 -0.60 0.00 0.00 56.93 55.65 2jir s PHE 446 Cb 0.09 -1.39 0.88 0.00 0.51 0.00 0.00 43.02 43.11 2jir s PHE 446 CO 0.81 -0.44 1.67 -0.35 0.70 0.00 0.00 175.22 177.61 2jir n PRO 447 N 4.08 0.14 -0.05 0.24 -0.04 -1.26 -2.80 135.00 135.31 2jir n PRO 447 Ca -0.20 0.33 0.11 0.00 -0.04 0.00 0.00 63.50 63.71 2jir n PRO 447 Cb 0.51 -1.75 0.43 0.00 -0.04 0.00 0.00 33.50 32.66 2jir n PRO 447 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2jir n ASP 448 N -2.02 1.51 -4.67 3.54 3.85 -1.26 -4.85 116.55 112.66 2jir n ASP 448 Ca 0.03 -1.63 -0.42 0.00 -0.71 0.00 0.00 54.79 52.06 2jir n ASP 448 Cb 0.24 -0.07 -0.03 0.00 -1.35 0.00 0.00 41.12 39.91 2jir n ASP 448 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2jir s ALA 449 N -1.86 3.64 0.48 2.12 0.00 -1.12 -4.89 121.76 120.13 2jir s ALA 449 Ca 0.34 1.15 0.20 0.00 0.00 0.00 0.00 51.96 53.65 2jir s ALA 449 Cb 0.18 -3.75 1.29 0.00 0.00 0.00 0.00 23.12 20.84 2jir s ALA 449 CO 0.28 -1.31 2.08 -0.24 0.00 0.00 0.00 175.76 176.57 2jir h VAL 450 N 5.24 0.88 -0.08 0.00 3.04 -1.93 -1.79 116.25 121.60 2jir h VAL 450 Ca -0.43 -0.40 0.02 0.00 -1.01 0.00 0.00 66.70 64.88 2jir h VAL 450 Cb 1.20 1.23 -0.00 0.00 -2.01 0.00 0.00 31.29 31.71 2jir h VAL 450 CO 0.94 0.11 0.07 0.74 -1.01 0.00 0.00 177.57 178.42 2jir h THR 451 N 0.00 0.70 0.00 3.17 2.02 -1.89 -1.79 112.91 115.11 2jir h THR 451 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2jir h THR 451 Cb 0.22 0.95 -0.00 0.00 -1.74 0.00 0.00 68.15 67.58 2jir h THR 451 CO 0.01 0.00 -0.06 -0.07 0.37 0.00 0.00 175.52 175.77 2jir h LEU 452 N 0.00 0.00 -0.65 2.58 3.38 -1.68 -0.38 115.31 118.56 2jir h LEU 452 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2jir h LEU 452 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2jir h LEU 452 CO -0.00 0.06 0.00 -0.62 0.09 0.00 0.00 178.44 177.97 2jir n GLU 453 N -3.43 0.09 -0.00 1.13 1.02 -0.67 -2.65 120.64 116.13 2jir n GLU 453 Ca -0.02 0.49 0.06 0.00 -0.02 0.00 0.00 57.16 57.67 2jir n GLU 453 Cb 0.20 -1.74 -0.08 0.00 -0.02 0.00 0.00 31.44 29.80 2jir n GLU 453 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2jir n TYR 454 N -1.93 0.00 -2.39 -0.32 4.02 -0.16 -4.97 117.16 111.41 2jir n TYR 454 Ca 0.01 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.51 2jir n TYR 454 Cb 0.09 -0.09 -0.03 0.00 -0.02 0.00 0.00 39.34 39.30 2jir n TYR 454 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2jir s ALA 455 N -2.44 3.23 -0.09 -0.72 0.00 -1.08 -4.76 121.76 115.90 2jir s ALA 455 Ca 0.02 0.90 0.21 0.00 0.00 0.00 0.00 51.96 53.09 2jir s ALA 455 Cb 0.10 -3.35 -0.27 0.00 0.00 0.00 0.00 23.12 19.60 2jir s ALA 455 CO 0.54 -0.36 0.51 -0.25 0.00 0.00 0.00 175.76 176.20 2jir n ASP 456 N 0.39 0.16 -3.75 0.00 8.00 0.05 -4.65 116.55 116.76 2jir n ASP 456 Ca 0.03 0.07 -0.12 0.00 0.71 0.00 0.00 54.79 55.47 2jir n ASP 456 Cb 0.46 1.53 -0.12 0.00 -0.02 0.00 0.00 41.12 42.97 2jir n ASP 456 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2jir s LEU 457 N -4.86 0.68 -0.11 0.64 2.96 -0.99 -0.55 118.68 116.45 2jir s LEU 457 Ca -0.07 0.55 0.03 0.00 -0.22 0.00 0.00 54.13 54.41 2jir s LEU 457 Cb 0.12 0.85 0.01 0.00 0.50 0.00 0.00 46.19 47.67 2jir s LEU 457 CO 0.88 -0.13 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.89 2jir s VAL 458 N 0.71 1.84 -0.20 1.68 1.01 -0.32 -0.89 120.40 124.23 2jir s VAL 458 Ca -0.05 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 61.02 2jir s VAL 458 Cb -0.06 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 2jir s VAL 458 CO -0.04 0.51 -0.01 -0.76 0.00 0.00 0.00 175.10 174.79 2jir s LEU 459 N 0.70 3.14 -0.37 3.92 1.43 -0.25 -1.33 118.68 125.93 2jir s LEU 459 Ca -0.11 -0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 52.44 2jir s LEU 459 Cb -0.16 -1.80 0.01 0.00 0.03 0.00 0.00 46.19 44.27 2jir s LEU 459 CO 0.02 0.04 1.36 -2.16 0.23 0.00 0.00 176.35 175.84 2jir s PRO 460 N 1.12 3.71 0.14 1.29 0.04 -1.26 -3.29 135.00 136.75 2jir s PRO 460 Ca 0.02 1.03 -0.02 0.00 0.04 0.00 0.00 61.00 62.08 2jir s PRO 460 Cb -0.14 -3.97 -0.05 0.00 0.04 0.00 0.00 34.50 30.38 2jir s PRO 460 CO 0.01 -1.39 0.33 -1.25 0.04 0.00 0.00 177.00 174.74 2jir s PRO 461 N 4.63 3.52 0.30 0.56 0.04 -1.26 -2.08 135.00 140.71 2jir s PRO 461 Ca 0.59 -0.31 -0.30 0.00 0.04 0.00 0.00 61.00 61.02 2jir s PRO 461 Cb -0.14 -2.90 -0.12 0.00 0.04 0.00 0.00 34.50 31.38 2jir s PRO 461 CO 0.29 0.48 1.56 0.00 0.04 0.00 0.00 177.00 179.38 2jir n ALA 462 N -0.18 2.40 -2.83 8.56 0.00 -0.48 -4.59 120.51 123.39 2jir n ALA 462 Ca -0.04 0.37 -0.34 0.00 0.00 0.00 0.00 53.44 53.43 2jir n ALA 462 Cb 0.52 -2.44 -0.11 0.00 0.00 0.00 0.00 19.45 17.42 2jir n ALA 462 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2jir s PHE 463 N -0.16 3.03 0.00 0.00 5.36 -1.26 -4.84 117.98 120.12 2jir s PHE 463 Ca 0.63 -0.15 0.00 0.00 -0.96 0.00 0.00 56.93 56.45 2jir s PHE 463 Cb -0.51 -1.88 0.00 0.00 -0.34 0.00 0.00 43.02 40.29 2jir s PHE 463 CO 0.51 0.12 0.00 1.87 -1.46 0.00 0.00 175.22 176.26 2jir n TRP 464 N 3.03 0.00 -0.33 10.12 -0.00 -1.26 -0.82 117.44 128.18 2jir n TRP 464 Ca -0.18 0.00 0.06 0.00 -0.00 0.00 0.00 57.50 57.38 2jir n TRP 464 Cb 0.53 0.00 0.30 0.00 -0.00 0.00 0.00 31.31 32.14 2jir n TRP 464 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2jir n GLU 466 N 0.59 0.23 -3.79 0.00 1.02 -0.00 -0.53 120.64 118.16 2jir n GLU 466 Ca 0.21 0.13 -0.09 0.00 -0.02 0.00 0.00 57.16 57.39 2jir n GLU 466 Cb 0.89 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.78 2jir n GLU 466 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2jir s ARG 467 N -2.59 1.57 0.03 3.49 3.03 -1.24 -4.15 118.95 119.10 2jir s ARG 467 Ca 0.15 -0.92 -0.01 0.00 2.03 0.00 0.00 55.73 56.99 2jir s ARG 467 Cb 0.11 0.56 -0.04 0.00 -1.03 0.00 0.00 34.95 34.56 2jir s ARG 467 CO 0.26 -0.70 0.17 0.16 -1.13 0.00 0.00 175.30 174.06 2jir s ASP 468 N -2.90 6.17 0.00 -2.89 -4.77 -1.26 -4.21 116.67 106.81 2jir s ASP 468 Ca 0.11 0.25 0.00 0.00 -3.30 0.00 0.00 52.55 49.60 2jir s ASP 468 Cb -0.03 -1.87 0.00 0.00 -1.09 0.00 0.00 42.92 39.93 2jir s ASP 468 CO 0.02 0.22 0.00 0.61 0.70 0.00 0.00 175.17 176.72 2jir n GLY 469 N 0.67 0.53 3.88 2.12 0.00 -0.52 -4.79 105.19 107.08 2jir n GLY 469 Ca -0.09 -1.05 -0.36 0.00 0.00 0.00 0.00 46.02 44.52 2jir n GLY 469 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jir s VAL 470 N -2.00 5.44 -0.09 1.61 1.01 -1.26 -1.61 120.40 123.50 2jir s VAL 470 Ca 0.00 0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.23 2jir s VAL 470 Cb 0.00 -3.46 -0.00 0.00 0.00 0.00 0.00 36.38 32.92 2jir s VAL 470 CO 0.00 0.55 -0.24 -0.31 0.00 0.00 0.00 175.10 175.10 2jir s TYR 471 N -1.10 2.53 -0.33 5.22 2.02 -0.81 -1.59 117.35 123.29 2jir s TYR 471 Ca 0.19 -0.99 -0.05 0.00 -0.37 0.00 0.00 57.07 55.85 2jir s TYR 471 Cb -0.13 -1.68 0.05 0.00 -0.40 0.00 0.00 41.96 39.80 2jir s TYR 471 CO 0.08 -0.38 0.07 0.20 -1.57 0.00 0.00 175.55 173.95 2jir s GLY 472 N 0.25 1.82 0.65 0.71 0.00 -1.25 -1.88 107.32 107.62 2jir s GLY 472 Ca -0.16 -1.79 -0.11 0.00 0.00 0.00 0.00 44.72 42.65 2jir s GLY 472 CO 0.08 0.76 0.83 0.00 0.00 0.00 0.00 173.10 174.77 2jir n GLY 474 N -0.80 -0.48 0.31 0.00 0.00 -0.88 -3.19 105.19 100.15 2jir n GLY 474 Ca 0.11 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.16 2jir n GLY 474 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2jir n GLU 475 N -1.17 1.92 -1.13 1.61 0.28 -1.26 -4.69 120.64 116.20 2jir n GLU 475 Ca 0.06 -2.55 -0.05 0.00 -0.16 0.00 0.00 57.16 54.46 2jir n GLU 475 Cb 0.06 -1.55 -0.02 0.00 1.43 0.00 0.00 31.44 31.36 2jir n GLU 475 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2jir n ARG 476 N -1.04 -0.35 -3.06 3.44 1.74 -1.19 -4.82 116.66 111.37 2jir n ARG 476 Ca 0.16 0.63 -0.41 0.00 -0.77 0.00 0.00 57.85 57.45 2jir n ARG 476 Cb 0.67 -4.31 -0.06 0.00 -1.02 0.00 0.00 32.46 27.75 2jir n ARG 476 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2jir s ARG 477 N -2.26 3.93 -0.34 5.56 3.52 -1.26 -1.94 118.95 126.16 2jir s ARG 477 Ca 0.00 0.41 -0.14 0.00 -0.13 0.00 0.00 55.73 55.87 2jir s ARG 477 Cb 0.00 -3.72 -0.01 0.00 -1.56 0.00 0.00 34.95 29.65 2jir s ARG 477 CO 0.00 -0.60 0.30 0.71 -0.81 0.00 0.00 175.30 174.90 2jir s TYR 478 N 2.72 3.22 -0.01 5.12 2.02 0.66 -1.92 117.35 129.16 2jir s TYR 478 Ca 0.28 -0.14 0.07 0.00 -0.37 0.00 0.00 57.07 56.91 2jir s TYR 478 Cb -0.15 -2.57 -0.02 0.00 -0.40 0.00 0.00 41.96 38.82 2jir s TYR 478 CO 0.12 -0.40 -0.23 -1.12 -1.57 0.00 0.00 175.55 172.34 2jir s SER 479 N 1.73 2.70 0.09 2.29 0.01 -0.79 -1.38 113.70 118.36 2jir s SER 479 Ca 0.09 -0.43 -0.21 0.00 1.31 0.00 0.00 55.95 56.71 2jir s SER 479 Cb -0.17 -0.29 -0.07 0.00 0.21 0.00 0.00 66.02 65.70 2jir s SER 479 CO 0.11 0.27 0.63 -0.22 0.41 0.00 0.00 173.24 174.44 2jir s LEU 480 N -0.62 4.54 -0.26 2.44 2.96 -1.26 -1.93 118.68 124.55 2jir s LEU 480 Ca 0.09 1.36 -0.09 0.00 -0.22 0.00 0.00 54.13 55.27 2jir s LEU 480 Cb -0.09 -3.01 -0.04 0.00 0.50 0.00 0.00 46.19 43.55 2jir s LEU 480 CO -0.01 0.25 0.13 -0.89 -1.32 0.00 0.00 176.35 174.51 2jir s THR 481 N -1.05 4.87 0.57 3.68 2.01 -0.63 -4.04 115.64 121.04 2jir s THR 481 Ca 0.31 0.02 -0.11 0.00 0.31 0.00 0.00 61.69 62.22 2jir s THR 481 Cb -0.20 -3.30 -0.05 0.00 0.01 0.00 0.00 72.50 68.96 2jir s THR 481 CO 0.21 0.30 0.97 -1.61 -0.69 0.00 0.00 174.62 173.80 2jir s GLU 482 N 1.62 3.66 -0.01 4.92 2.02 -0.96 -1.44 118.70 128.50 2jir s GLU 482 Ca 0.07 0.68 -0.30 0.00 0.02 0.00 0.00 54.97 55.43 2jir s GLU 482 Cb -0.15 -2.15 -0.04 0.00 0.10 0.00 0.00 34.13 31.88 2jir s GLU 482 CO 0.07 -0.43 1.18 0.21 0.02 0.00 0.00 175.26 176.31 2jir s LYS 483 N -4.85 4.40 -0.14 1.61 2.20 -1.26 -4.73 119.74 116.96 2jir s LYS 483 Ca 0.54 1.68 0.09 0.00 -0.36 0.00 0.00 55.97 57.93 2jir s LYS 483 Cb -0.11 -3.48 -0.15 0.00 -1.51 0.00 0.00 37.83 32.58 2jir s LYS 483 CO 0.48 -0.35 0.00 0.00 -0.36 0.00 0.00 175.35 175.12 2jir n ALA 484 N 4.68 1.67 -2.23 3.13 0.00 0.31 -4.99 120.51 123.09 2jir n ALA 484 Ca 0.10 -0.83 -0.09 0.00 0.00 0.00 0.00 53.44 52.61 2jir n ALA 484 Cb 0.47 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.82 2jir n ALA 484 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2jir s VAL 485 N -2.32 0.11 0.45 0.00 -7.23 -1.18 -4.86 120.40 105.37 2jir s VAL 485 Ca -0.10 -1.81 -0.22 0.00 -1.81 0.00 0.00 61.98 58.04 2jir s VAL 485 Cb 0.04 -1.93 -0.08 0.00 0.56 0.00 0.00 36.38 34.97 2jir s VAL 485 CO 0.50 -0.52 1.08 -1.81 -0.31 0.00 0.00 175.10 174.04 2jir s ASP 486 N -3.02 6.44 0.60 4.85 1.01 -1.26 -4.22 116.67 121.07 2jir s ASP 486 Ca 0.20 2.07 -0.18 0.00 0.71 0.00 0.00 52.55 55.36 2jir s ASP 486 Cb 0.07 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.39 2jir s ASP 486 CO -0.00 -0.72 1.18 -2.84 0.21 0.00 0.00 175.17 173.00 2jir s PRO 487 N -2.81 2.96 0.66 8.23 0.02 -1.26 -4.91 135.00 137.90 2jir s PRO 487 Ca 0.63 1.72 -0.09 0.00 0.02 0.00 0.00 61.00 63.28 2jir s PRO 487 Cb -0.22 -1.94 0.02 0.00 0.02 0.00 0.00 34.50 32.38 2jir s PRO 487 CO 0.27 -1.19 1.01 -1.25 -0.33 0.00 0.00 177.00 175.51 2jir s PRO 488 N -3.46 2.81 2.50 5.54 0.04 -1.26 -4.81 135.00 136.36 2jir s PRO 488 Ca 0.75 0.21 0.00 0.00 0.04 0.00 0.00 61.00 62.00 2jir s PRO 488 Cb -0.28 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.13 2jir s PRO 488 CO 0.34 -0.93 0.00 0.41 0.04 0.00 0.00 177.00 176.86 2jir n GLY 489 N -2.84 2.88 2.11 0.56 0.00 -1.26 -1.94 105.19 104.70 2jir n GLY 489 Ca 0.06 0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 2jir n GLY 489 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jir n GLN 490 N 14.00 2.42 -2.72 1.61 6.02 0.27 -4.99 117.38 134.00 2jir n GLN 490 Ca 0.00 -3.20 -0.41 0.00 -0.01 0.00 0.00 57.00 53.38 2jir n GLN 490 Cb 0.00 -2.17 -0.05 0.00 1.02 0.00 0.00 30.24 29.04 2jir n GLN 490 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jir s ARG 492 N -0.32 0.82 0.31 0.00 0.52 -0.88 -4.60 118.95 114.79 2jir s ARG 492 Ca 0.46 -0.84 -0.29 0.00 -0.52 0.00 0.00 55.73 54.54 2jir s ARG 492 Cb -0.24 -0.80 -0.11 0.00 0.52 0.00 0.00 34.95 34.31 2jir s ARG 492 CO 0.31 0.19 1.54 -2.14 0.02 0.00 0.00 175.30 175.22 2jir s PRO 493 N -1.44 4.14 0.42 3.54 0.02 -1.26 -1.39 135.00 139.03 2jir s PRO 493 Ca -0.01 2.54 0.17 0.00 0.02 0.00 0.00 61.00 63.72 2jir s PRO 493 Cb -0.09 -3.02 0.95 0.00 0.02 0.00 0.00 34.50 32.36 2jir s PRO 493 CO 0.02 -0.57 1.91 1.15 -0.33 0.00 0.00 177.00 179.17 2jir h THR 494 N 3.30 1.02 -0.96 0.99 2.02 -1.95 -1.61 112.91 115.72 2jir h THR 494 Ca -0.48 -1.00 0.08 0.00 0.77 0.00 0.00 66.41 65.78 2jir h THR 494 Cb 1.22 1.57 -0.07 0.00 -1.74 0.00 0.00 68.15 69.13 2jir h THR 494 CO 0.75 0.27 0.62 0.58 0.37 0.00 0.00 175.52 178.11 2jir h VAL 495 N 0.00 1.03 0.02 3.16 2.07 -1.92 -0.64 116.25 119.97 2jir h VAL 495 Ca -0.00 -0.36 -0.10 0.00 0.82 0.00 0.00 66.70 67.05 2jir h VAL 495 Cb 0.54 -0.12 0.01 0.00 -1.52 0.00 0.00 31.29 30.21 2jir h VAL 495 CO 0.04 0.19 -0.40 0.78 0.02 0.00 0.00 177.57 178.20 2jir h ASN 496 N 1.06 0.32 -0.95 0.57 2.35 -1.69 -3.03 115.58 114.20 2jir h ASN 496 Ca 0.43 -0.81 0.21 0.00 -0.55 0.00 0.00 56.30 55.58 2jir h ASN 496 Cb 0.27 -0.10 -0.12 0.00 0.05 0.00 0.00 38.32 38.42 2jir h ASN 496 CO -0.18 1.10 0.52 0.74 -1.65 0.00 0.00 177.43 177.96 2jir h THR 497 N -0.42 0.59 -0.30 2.81 2.02 -1.14 -2.10 112.91 114.37 2jir h THR 497 Ca -0.06 -0.20 -0.14 0.00 0.77 0.00 0.00 66.41 66.78 2jir h THR 497 Cb 1.17 -0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.53 2jir h THR 497 CO 0.08 0.11 -0.38 -0.07 0.37 0.00 0.00 175.52 175.63 2jir h LEU 498 N 0.58 0.85 0.10 2.58 4.07 -1.14 -0.68 115.31 121.67 2jir h LEU 498 Ca 0.58 -0.49 -0.00 0.00 0.08 0.00 0.00 57.88 58.04 2jir h LEU 498 Cb 1.02 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 42.52 2jir h LEU 498 CO -0.45 1.18 -0.05 0.58 -1.08 0.00 0.00 178.44 178.62 2jir h VAL 499 N 0.55 0.90 -0.41 1.22 2.07 -1.36 0.84 116.25 120.06 2jir h VAL 499 Ca 0.04 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 2jir h VAL 499 Cb 0.97 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 2jir h VAL 499 CO 0.09 0.00 0.19 -0.08 0.02 0.00 0.00 177.57 177.79 2jir h GLU 500 N -0.13 0.59 -0.05 1.57 4.57 -1.38 0.59 114.58 120.34 2jir h GLU 500 Ca -0.01 -0.09 0.02 0.00 -1.18 0.00 0.00 59.36 58.10 2jir h GLU 500 Cb 0.10 -0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 28.53 2jir h GLU 500 CO 0.02 0.52 -0.54 0.35 -1.18 0.00 0.00 179.01 178.19 2jir h PHE 501 N 0.51 -1.60 -0.02 0.92 3.57 -1.02 -0.33 116.94 118.98 2jir h PHE 501 Ca 0.14 0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.72 2jir h PHE 501 Cb 0.14 0.70 -0.06 0.00 2.79 0.00 0.00 35.95 39.52 2jir h PHE 501 CO -0.01 -0.57 -0.48 0.00 -2.23 0.00 0.00 178.31 175.02 2jir h ALA 502 N -0.37 -0.81 -0.47 2.41 0.00 -0.50 -1.18 119.26 118.33 2jir h ALA 502 Ca 0.02 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.96 2jir h ALA 502 Cb 0.71 0.86 -0.10 0.00 0.00 0.00 0.00 17.79 19.26 2jir h ALA 502 CO -0.39 -1.04 -0.30 0.00 0.00 0.00 0.00 179.25 177.52 2jir h ARG 503 N -0.62 -0.19 0.00 0.00 3.08 -0.79 -1.57 114.38 114.30 2jir h ARG 503 Ca 0.03 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 2jir h ARG 503 Cb 0.69 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.78 2jir h ARG 503 CO -0.35 -0.12 -0.14 0.00 -1.07 0.00 0.00 179.97 178.29 2jir h ARG 504 N -0.19 0.00 -0.57 0.04 3.08 -0.71 -2.49 114.38 113.53 2jir h ARG 504 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 2jir h ARG 504 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 2jir h ARG 504 CO -0.58 0.14 0.00 0.00 -1.07 0.00 0.00 179.97 178.46 2jir n ALA 505 N -2.28 2.81 -0.86 0.04 0.00 -0.48 -4.78 120.51 114.96 2jir n ALA 505 Ca -0.02 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.49 2jir n ALA 505 Cb 0.26 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.70 2jir n ALA 505 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jir n GLY 506 N 0.86 0.54 3.76 0.00 0.00 -0.94 -4.76 105.19 104.65 2jir n GLY 506 Ca 0.16 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 2jir n GLY 506 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jir s VAL 507 N -2.00 3.42 0.07 1.61 1.01 -0.73 -4.98 120.40 118.80 2jir s VAL 507 Ca 0.00 1.36 -0.30 0.00 0.00 0.00 0.00 61.98 63.04 2jir s VAL 507 Cb 0.00 -3.84 -0.09 0.00 0.00 0.00 0.00 36.38 32.45 2jir s VAL 507 CO 0.00 0.27 1.89 -0.62 0.00 0.00 0.00 175.10 176.64 2jir s ASP 508 N -0.96 6.46 0.64 3.32 2.15 -1.26 -4.46 116.67 122.56 2jir s ASP 508 Ca 0.48 2.68 0.39 0.00 0.43 0.00 0.00 52.55 56.52 2jir s ASP 508 Cb -0.31 -2.55 2.18 0.00 -0.30 0.00 0.00 42.92 41.94 2jir s ASP 508 CO 0.40 -1.02 2.31 -0.65 -0.17 0.00 0.00 175.17 176.03 2jir h PRO 509 N 9.71 0.00 0.00 4.34 0.11 -1.95 0.20 132.00 144.41 2jir h PRO 509 Ca -0.47 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 2jir h PRO 509 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2jir h PRO 509 CO 0.94 0.00 -0.27 0.37 -0.21 0.00 0.00 178.00 178.83 2jir h GLN 510 N 0.00 0.00 0.00 1.05 4.15 -2.00 -2.74 115.11 115.57 2jir h GLN 510 Ca 0.00 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.33 2jir h GLN 510 Cb 0.06 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 2jir h GLN 510 CO -0.00 0.27 -0.44 -0.07 -1.93 0.00 0.00 178.83 176.66 2jir h LEU 511 N 0.00 0.00 -4.73 -2.39 4.07 -0.92 -3.32 115.31 108.01 2jir h LEU 511 Ca -0.00 0.00 -0.55 0.00 0.08 0.00 0.00 57.88 57.40 2jir h LEU 511 Cb 0.54 0.00 -0.42 0.00 1.08 0.00 0.00 40.66 41.87 2jir h LEU 511 CO 0.04 0.44 -0.80 1.33 -1.08 0.00 0.00 178.44 178.37 2jir n VAL 512 N -3.71 2.20 -1.70 1.22 0.24 -1.05 -4.93 118.33 110.61 2jir n VAL 512 Ca -0.01 -4.75 -0.40 0.00 -2.04 0.00 0.00 64.34 57.14 2jir n VAL 512 Cb 0.51 -0.98 -0.01 0.00 -1.47 0.00 0.00 33.84 31.89 2jir n VAL 512 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2jir n ASN 513 N -0.37 6.98 -3.80 -1.34 5.15 -1.15 -4.87 115.26 115.87 2jir n ASN 513 Ca 0.33 -2.83 -0.24 0.00 -0.60 0.00 0.00 54.58 51.24 2jir n ASN 513 Cb 0.65 -1.53 -0.17 0.00 -0.53 0.00 0.00 39.78 38.20 2jir n ASN 513 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2jir s PHE 514 N 1.42 0.88 0.11 1.20 2.99 -1.26 -4.93 117.98 118.39 2jir s PHE 514 Ca 0.57 -0.33 0.04 0.00 0.00 0.00 0.00 56.93 57.21 2jir s PHE 514 Cb 0.16 -0.91 -0.21 0.00 0.00 0.00 0.00 43.02 42.06 2jir s PHE 514 CO -0.07 -0.38 1.26 0.00 -0.00 0.00 0.00 175.22 176.03 2jir h ARG 515 N 8.29 0.08 0.00 0.44 3.08 -1.97 -3.49 114.38 120.82 2jir h ARG 515 Ca -0.22 -0.13 -0.10 0.00 0.07 0.00 0.00 59.98 59.60 2jir h ARG 515 Cb 1.13 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.20 2jir h ARG 515 CO 0.30 1.05 0.02 0.27 -1.07 0.00 0.00 179.97 180.54 2jir n ASN 516 N -3.42 -1.04 0.17 7.04 0.23 -1.26 -4.92 115.26 112.05 2jir n ASN 516 Ca -0.02 -2.03 0.03 0.00 -0.53 0.00 0.00 54.58 52.02 2jir n ASN 516 Cb 0.95 1.83 0.25 0.00 -2.08 0.00 0.00 39.78 40.73 2jir n ASN 516 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jir h ALA 517 N 1.88 0.94 -0.51 -2.53 0.00 -1.94 -3.08 119.26 114.03 2jir h ALA 517 Ca -0.18 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.29 2jir h ALA 517 Cb 0.71 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2jir h ALA 517 CO 0.23 0.58 0.25 1.49 0.00 0.00 0.00 179.25 181.80 2jir h GLU 518 N 0.00 0.72 -0.56 0.00 4.81 -1.97 -2.44 114.58 115.15 2jir h GLU 518 Ca -0.00 -0.10 0.09 0.00 -0.13 0.00 0.00 59.36 59.22 2jir h GLU 518 Cb 1.02 -0.13 -0.07 0.00 0.63 0.00 0.00 28.75 30.19 2jir h GLU 518 CO 0.06 0.60 0.16 -0.44 -0.73 0.00 0.00 179.01 178.66 2jir h ASP 519 N 0.67 0.10 0.08 1.04 3.32 -1.94 -1.96 116.42 117.73 2jir h ASP 519 Ca 0.17 0.09 -0.12 0.00 0.02 0.00 0.00 57.03 57.19 2jir h ASP 519 Cb 0.11 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 2jir h ASP 519 CO -0.02 0.07 -0.39 1.62 -1.72 0.00 0.00 179.24 178.79 2jir h VAL 520 N 0.31 1.30 -0.40 -1.35 3.04 -1.55 -3.03 116.25 114.57 2jir h VAL 520 Ca 0.28 -1.53 0.05 0.00 -1.01 0.00 0.00 66.70 64.50 2jir h VAL 520 Cb 0.37 1.60 -0.04 0.00 -2.01 0.00 0.00 31.29 31.21 2jir h VAL 520 CO -0.33 0.47 0.14 -0.25 -1.01 0.00 0.00 177.57 176.59 2jir h TRP 521 N 0.34 0.25 -0.84 3.17 2.91 -0.88 0.56 115.95 121.46 2jir h TRP 521 Ca 0.03 0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.12 2jir h TRP 521 Cb 0.84 -0.05 -0.05 0.00 -0.51 0.00 0.00 29.16 29.39 2jir h TRP 521 CO 0.02 0.10 0.55 -0.91 -1.03 0.00 0.00 178.44 177.17 2jir h ASN 522 N 0.30 0.88 -0.01 2.65 2.35 -1.36 0.61 115.58 120.99 2jir h ASN 522 Ca 0.18 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 2jir h ASN 522 Cb 0.17 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 2jir h ASN 522 CO -0.19 0.59 -0.01 -0.08 -1.65 0.00 0.00 177.43 176.09 2jir h GLU 523 N 1.01 0.02 -0.57 0.81 4.81 -1.35 -2.43 114.58 116.88 2jir h GLU 523 Ca 0.34 -0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.67 2jir h GLU 523 Cb 0.09 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.38 2jir h GLU 523 CO -0.11 0.57 0.05 2.35 -0.73 0.00 0.00 179.01 181.14 2jir h TRP 524 N -0.52 0.06 -0.64 0.92 -0.00 -0.54 0.86 115.95 116.10 2jir h TRP 524 Ca 0.00 0.04 0.12 0.00 -0.00 0.00 0.00 58.89 59.05 2jir h TRP 524 Cb 0.56 0.06 -0.12 0.00 -0.00 0.00 0.00 29.16 29.66 2jir h TRP 524 CO 0.12 -0.09 -0.22 0.00 -0.00 0.00 0.00 178.44 178.24 2jir h ARG 525 N 0.17 -0.06 -0.72 2.65 3.08 0.17 -1.72 114.38 117.95 2jir h ARG 525 Ca 0.30 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.34 2jir h ARG 525 Cb 0.45 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 2jir h ARG 525 CO -0.44 -0.04 0.43 1.98 -1.07 0.00 0.00 179.97 180.83 2jir h MET 526 N -0.06 0.98 0.00 0.04 4.05 -0.40 -2.53 114.93 117.01 2jir h MET 526 Ca 0.29 -0.09 -0.02 0.00 -0.28 0.00 0.00 59.70 59.60 2jir h MET 526 Cb 0.51 -0.20 -0.00 0.00 -0.80 0.00 0.00 31.60 31.11 2jir h MET 526 CO -0.68 0.70 -0.07 0.28 0.23 0.00 0.00 176.91 177.37 2jir h VAL 527 N 0.99 0.22 0.00 -5.77 2.07 -0.45 -2.49 116.25 110.81 2jir h VAL 527 Ca 0.26 -0.61 -0.12 0.00 0.82 0.00 0.00 66.70 67.05 2jir h VAL 527 Cb -0.02 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 2jir h VAL 527 CO -0.05 0.07 -1.00 0.77 0.02 0.00 0.00 177.57 177.38 2jir h SER 528 N 0.00 0.00 -2.07 0.57 4.64 -1.06 -3.46 113.55 112.17 2jir h SER 528 Ca -0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 2jir h SER 528 Cb 0.49 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.63 2jir h SER 528 CO 0.01 0.46 0.76 1.17 -0.87 0.00 0.00 176.83 178.35 2jir n LYS 529 N -2.98 1.86 0.00 4.77 4.81 -0.94 -1.52 118.16 124.16 2jir n LYS 529 Ca -0.04 0.67 0.00 0.00 -0.87 0.00 0.00 58.31 58.08 2jir n LYS 529 Cb 0.76 -2.42 0.00 0.00 0.02 0.00 0.00 35.03 33.39 2jir n LYS 529 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jir n GLY 530 N 3.36 2.70 3.90 3.14 0.00 -1.26 -5.04 105.19 111.99 2jir n GLY 530 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 2jir n GLY 530 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jir s THR 531 N -2.07 2.27 -2.00 2.61 -4.23 -0.58 -4.96 115.64 106.69 2jir s THR 531 Ca 0.00 0.07 0.12 0.00 -1.18 0.00 0.00 61.69 60.70 2jir s THR 531 Cb 0.00 -3.08 0.33 0.00 1.34 0.00 0.00 72.50 71.09 2jir s THR 531 CO 0.00 -0.11 1.38 0.35 -0.54 0.00 0.00 174.62 175.70 2jir n THR 532 N -3.25 0.00 -0.98 3.99 -2.24 -1.26 -2.29 114.28 108.26 2jir n THR 532 Ca 0.08 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.92 2jir n THR 532 Cb 0.60 -0.24 0.33 0.00 -2.10 0.00 0.00 70.33 68.92 2jir n THR 532 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2jir n TYR 533 N -0.70 1.65 -2.09 4.78 4.01 -1.26 -4.67 117.16 118.88 2jir n TYR 533 Ca 0.09 -0.86 -0.43 0.00 -0.16 0.00 0.00 57.90 56.54 2jir n TYR 533 Cb 0.04 -0.46 -0.03 0.00 -0.31 0.00 0.00 39.34 38.59 2jir n TYR 533 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2jir s ASP 534 N -1.32 6.56 -0.17 7.72 -1.08 -0.97 -4.88 116.67 122.53 2jir s ASP 534 Ca 0.50 1.93 0.16 0.00 -0.52 0.00 0.00 52.55 54.61 2jir s ASP 534 Cb 0.39 -2.53 0.44 0.00 -1.46 0.00 0.00 42.92 39.76 2jir s ASP 534 CO 0.12 -1.06 1.19 2.22 0.52 0.00 0.00 175.17 178.17 2jir n PHE 535 N 7.67 0.64 0.27 -5.34 -1.74 -1.26 -0.56 117.46 117.15 2jir n PHE 535 Ca 0.18 -1.43 0.11 0.00 -0.56 0.00 0.00 57.45 55.75 2jir n PHE 535 Cb 0.44 -0.24 0.75 0.00 1.52 0.00 0.00 39.48 41.96 2jir n PHE 535 CO 0.00 0.00 0.00 2.35 -0.56 0.00 0.00 176.76 178.55 2jir h TRP 536 N 1.40 0.00 0.00 2.97 2.91 -1.75 -0.53 115.95 120.95 2jir h TRP 536 Ca -0.01 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.01 2jir h TRP 536 Cb 1.38 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.03 2jir h TRP 536 CO 0.58 0.01 0.00 0.41 -1.03 0.00 0.00 178.44 178.42 2jir n GLY 537 N -1.39 -1.02 3.34 2.65 0.00 -0.23 -4.31 105.19 104.24 2jir n GLY 537 Ca -0.03 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 2jir n GLY 537 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2jir n MET 538 N -1.26 3.35 -1.36 1.61 2.81 -0.21 -4.23 117.12 117.82 2jir n MET 538 Ca 0.11 -3.60 -0.30 0.00 -1.81 0.00 0.00 57.70 52.10 2jir n MET 538 Cb 0.17 -3.13 0.10 0.00 -0.71 0.00 0.00 33.22 29.65 2jir n MET 538 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2jir s THR 539 N 2.03 3.20 0.27 2.03 -4.23 -1.26 -4.87 115.64 112.81 2jir s THR 539 Ca 0.45 0.39 -0.04 0.00 -1.18 0.00 0.00 61.69 61.31 2jir s THR 539 Cb 0.02 -2.98 0.24 0.00 1.34 0.00 0.00 72.50 71.12 2jir s THR 539 CO 0.01 -0.51 1.92 0.03 -0.54 0.00 0.00 174.62 175.53 2jir h ARG 540 N -1.17 1.19 -0.41 3.99 2.47 -1.97 -2.05 114.38 116.43 2jir h ARG 540 Ca -0.46 -0.10 -0.02 0.00 -1.26 0.00 0.00 59.98 58.14 2jir h ARG 540 Cb 1.25 -0.25 -0.02 0.00 -1.65 0.00 0.00 29.97 29.30 2jir h ARG 540 CO 0.55 0.82 0.19 1.49 0.56 0.00 0.00 179.97 183.59 2jir h GLU 541 N 1.21 0.59 -0.41 0.04 4.57 -1.99 0.11 114.58 118.70 2jir h GLU 541 Ca 0.32 -0.09 0.06 0.00 -1.18 0.00 0.00 59.36 58.47 2jir h GLU 541 Cb -0.07 -0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 28.36 2jir h GLU 541 CO -0.06 0.52 0.11 0.00 -1.18 0.00 0.00 179.01 178.40 2jir h ARG 542 N 0.52 0.25 0.00 1.92 3.08 -1.86 -2.46 114.38 115.82 2jir h ARG 542 Ca 0.14 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 60.08 2jir h ARG 542 Cb 0.13 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2jir h ARG 542 CO -0.02 0.16 -0.46 -0.07 -1.07 0.00 0.00 179.97 178.52 2jir h LEU 543 N 0.25 0.00 -0.94 3.04 4.07 -0.79 0.58 115.31 121.52 2jir h LEU 543 Ca 0.20 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 58.07 2jir h LEU 543 Cb 0.22 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.94 2jir h LEU 543 CO -0.23 0.46 -0.21 0.03 -1.08 0.00 0.00 178.44 177.41 2jir h ARG 544 N 0.00 0.53 0.09 1.13 3.08 -0.61 -3.33 114.38 115.26 2jir h ARG 544 Ca -0.00 -0.19 -0.32 0.00 0.07 0.00 0.00 59.98 59.54 2jir h ARG 544 Cb 0.86 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 2jir h ARG 544 CO 0.06 0.71 -1.69 1.57 -1.07 0.00 0.00 179.97 179.55 2jir h LYS 545 N 0.47 0.18 -6.68 0.04 2.10 -1.03 -3.47 116.57 108.18 2jir h LYS 545 Ca 0.07 -0.31 -0.48 0.00 -2.00 0.00 0.00 60.65 57.94 2jir h LYS 545 Cb 0.63 0.11 0.02 0.00 -0.90 0.00 0.00 32.23 32.09 2jir h LYS 545 CO 0.04 0.97 -0.09 -1.21 -2.00 0.00 0.00 179.45 177.17 2jir s GLU 546 N -2.60 3.39 -1.07 0.07 0.41 0.16 -5.01 118.70 114.04 2jir s GLU 546 Ca -0.11 -0.23 -0.04 0.00 -0.41 0.00 0.00 54.97 54.18 2jir s GLU 546 Cb 0.07 -2.56 0.31 0.00 -1.78 0.00 0.00 34.13 30.17 2jir s GLU 546 CO 0.82 -0.05 1.54 0.43 -0.49 0.00 0.00 175.26 177.51 2jir n SER 547 N -1.99 6.57 0.00 -0.19 7.64 -1.26 -4.75 113.62 119.64 2jir n SER 547 Ca -0.02 -3.46 0.00 0.00 1.01 0.00 0.00 58.87 56.41 2jir n SER 547 Cb 0.56 -1.26 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 2jir n SER 547 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jir n GLY 548 N 1.12 -1.09 3.30 0.23 0.00 -1.26 -4.60 105.19 102.89 2jir n GLY 548 Ca 0.29 -1.38 -0.29 0.00 0.00 0.00 0.00 46.02 44.65 2jir n GLY 548 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jir s LEU 549 N -1.57 2.14 -0.26 0.99 1.43 -0.48 -4.92 118.68 116.02 2jir s LEU 549 Ca 0.00 -0.54 -0.12 0.00 -1.03 0.00 0.00 54.13 52.44 2jir s LEU 549 Cb 0.00 -1.18 -0.05 0.00 0.03 0.00 0.00 46.19 44.99 2jir s LEU 549 CO 0.00 0.24 0.23 -0.63 0.23 0.00 0.00 176.35 176.42 2jir s ILE 550 N -0.76 5.29 0.56 -0.59 1.01 -1.26 -0.24 121.20 125.22 2jir s ILE 550 Ca 0.10 0.30 -0.14 0.00 0.00 0.00 0.00 60.65 60.91 2jir s ILE 550 Cb -0.09 -3.57 -0.06 0.00 0.01 0.00 0.00 42.46 38.75 2jir s ILE 550 CO 0.01 0.27 1.01 -1.66 0.00 0.00 0.00 174.94 174.57 2jir s TRP 551 N 1.51 3.53 0.07 3.97 1.48 -0.82 -1.31 118.94 127.38 2jir s TRP 551 Ca 0.10 1.39 -0.34 0.00 -1.06 0.00 0.00 56.10 56.19 2jir s TRP 551 Cb -0.15 -2.76 -0.13 0.00 -1.16 0.00 0.00 33.47 29.27 2jir s TRP 551 CO 0.08 -0.52 1.71 -2.30 -4.06 0.00 0.00 176.95 171.85 2jir n PRO 552 N -2.13 2.23 -3.32 3.25 -0.02 -1.26 -4.52 135.00 129.23 2jir n PRO 552 Ca 0.06 0.81 -0.26 0.00 -2.02 0.00 0.00 63.50 62.10 2jir n PRO 552 Cb 0.54 -2.62 -0.08 0.00 -0.02 0.00 0.00 33.50 31.32 2jir n PRO 552 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jir n PRO 554 N 1.96 0.37 -3.63 0.00 -0.04 -1.23 -1.07 135.00 131.36 2jir n PRO 554 Ca 0.25 0.07 -0.09 0.00 -0.04 0.00 0.00 63.50 63.69 2jir n PRO 554 Cb 0.49 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.43 2jir n PRO 554 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2jir s SER 555 N -2.50 -0.39 0.32 3.54 1.04 -1.26 -3.80 113.70 110.65 2jir s SER 555 Ca 0.23 -0.27 0.26 0.00 0.48 0.00 0.00 55.95 56.64 2jir s SER 555 Cb 0.15 0.61 1.02 0.00 0.10 0.00 0.00 66.02 67.90 2jir s SER 555 CO 0.33 -1.07 1.77 -0.33 0.98 0.00 0.00 173.24 174.92 2jir h GLU 556 N 2.00 0.00 -0.48 4.02 5.08 -1.88 -2.46 114.58 120.86 2jir h GLU 556 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2jir h GLU 556 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2jir h GLU 556 CO 0.30 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 177.91 2jir n ASP 557 N -2.44 3.58 -4.69 1.42 3.85 -1.26 -4.94 116.55 112.06 2jir n ASP 557 Ca 0.02 -2.18 -0.36 0.00 -0.71 0.00 0.00 54.79 51.56 2jir n ASP 557 Cb 0.28 -0.38 -0.08 0.00 -1.35 0.00 0.00 41.12 39.59 2jir n ASP 557 CO 0.00 0.00 0.00 -2.28 -1.01 0.00 0.00 177.20 173.91 2jir s HIS 558 N -1.33 3.38 -1.04 2.11 2.46 -0.93 -5.00 115.29 114.94 2jir s HIS 558 Ca 0.36 0.41 0.19 0.00 0.47 0.00 0.00 55.06 56.49 2jir s HIS 558 Cb 0.21 -2.32 0.82 0.00 -0.13 0.00 0.00 32.58 31.17 2jir s HIS 558 CO 0.21 0.13 1.60 -0.35 -2.47 0.00 0.00 174.74 173.86 2jir n PRO 559 N 4.02 0.03 0.00 2.88 -0.04 -1.26 -4.83 135.00 135.79 2jir n PRO 559 Ca -0.13 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 2jir n PRO 559 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 2jir n PRO 559 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jir n GLY 560 N 0.44 -4.13 3.05 0.55 0.00 -1.26 -4.70 105.19 99.14 2jir n GLY 560 Ca 0.05 -2.09 -0.27 0.00 0.00 0.00 0.00 46.02 43.70 2jir n GLY 560 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jir s THR 561 N -0.92 1.41 -0.25 2.61 2.01 -0.42 -4.96 115.64 115.11 2jir s THR 561 Ca 0.00 -0.61 -0.16 0.00 0.31 0.00 0.00 61.69 61.24 2jir s THR 561 Cb 0.00 -1.28 -0.15 0.00 0.01 0.00 0.00 72.50 71.08 2jir s THR 561 CO 0.00 0.42 -0.14 -1.54 -0.69 0.00 0.00 174.62 172.67 2jir n SER 562 N 4.05 1.93 -4.27 3.53 3.41 -1.26 -4.64 113.62 116.36 2jir n SER 562 Ca -0.20 0.35 -0.44 0.00 -0.26 0.00 0.00 58.87 58.32 2jir n SER 562 Cb 0.51 -0.85 -0.07 0.00 -0.26 0.00 0.00 64.21 63.54 2jir n SER 562 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2jir s LEU 563 N -7.58 5.95 0.63 1.04 1.43 -1.26 -4.46 118.68 114.42 2jir s LEU 563 Ca -0.35 -1.81 -0.17 0.00 -1.03 0.00 0.00 54.13 50.78 2jir s LEU 563 Cb 0.11 -2.13 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 2jir s LEU 563 CO 0.54 -0.78 1.14 -0.13 0.23 0.00 0.00 176.35 177.35 2jir s ARG 564 N 1.51 2.87 0.00 1.70 0.52 -0.98 -3.51 118.95 121.06 2jir s ARG 564 Ca 0.04 1.55 0.00 0.00 -0.52 0.00 0.00 55.73 56.80 2jir s ARG 564 Cb -0.28 -1.95 0.00 0.00 0.52 0.00 0.00 34.95 33.24 2jir s ARG 564 CO 0.02 -1.22 0.00 0.66 0.02 0.00 0.00 175.30 174.77 2jir n TYR 565 N -2.07 0.00 -3.85 -0.53 4.01 -1.26 -4.89 117.16 108.57 2jir n TYR 565 Ca 0.11 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.50 2jir n TYR 565 Cb 0.51 -0.50 -0.13 0.00 -0.31 0.00 0.00 39.34 38.91 2jir n TYR 565 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2jir s VAL 566 N -2.20 3.43 0.09 -0.72 1.01 -1.24 -0.35 120.40 120.42 2jir s VAL 566 Ca 0.00 -0.90 -0.36 0.00 0.00 0.00 0.00 61.98 60.71 2jir s VAL 566 Cb 0.00 -2.78 -0.16 0.00 0.00 0.00 0.00 36.38 33.44 2jir s VAL 566 CO 0.00 0.10 1.41 -1.14 0.00 0.00 0.00 175.10 175.47 2jir n ARG 567 N 4.76 1.36 0.00 2.72 0.63 0.23 -1.37 116.66 124.99 2jir n ARG 567 Ca -0.15 0.49 0.00 0.00 -0.92 0.00 0.00 57.85 57.27 2jir n ARG 567 Cb 0.47 -2.16 0.00 0.00 0.45 0.00 0.00 32.46 31.22 2jir n ARG 567 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jir n GLY 568 N 2.79 2.81 0.00 5.14 0.00 -1.26 -4.76 105.19 109.90 2jir n GLY 568 Ca 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.20 2jir n GLY 568 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jir n GLN 569 N -2.00 2.94 -3.76 1.61 1.13 -0.67 -4.99 117.38 111.64 2jir n GLN 569 Ca 0.00 0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.69 2jir n GLN 569 Cb 0.00 -1.01 -0.13 0.00 0.11 0.00 0.00 30.24 29.22 2jir n GLN 569 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2jir s ASP 570 N -3.29 5.08 0.42 1.08 3.68 -0.47 -4.56 116.67 118.61 2jir s ASP 570 Ca -0.00 -0.38 0.29 0.00 2.13 0.00 0.00 52.55 54.59 2jir s ASP 570 Cb 0.00 -1.90 1.40 0.00 -1.45 0.00 0.00 42.92 40.97 2jir s ASP 570 CO 0.01 -0.09 1.89 1.55 0.13 0.00 0.00 175.17 178.66 2jir h PRO 571 N 8.24 0.00 0.00 4.34 0.13 -1.89 -1.55 132.00 141.26 2jir h PRO 571 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2jir h PRO 571 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2jir h PRO 571 CO 0.59 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.36 2jir s VAL 573 N -2.88 4.99 0.24 0.00 1.01 -0.59 -5.04 120.40 118.15 2jir s VAL 573 Ca 0.18 0.56 -0.31 0.00 0.00 0.00 0.00 61.98 62.41 2jir s VAL 573 Cb 0.19 -3.96 -0.14 0.00 0.00 0.00 0.00 36.38 32.47 2jir s VAL 573 CO 0.50 -0.16 1.30 -2.65 0.00 0.00 0.00 175.10 174.09 2jir n PRO 574 N 5.78 1.79 -0.16 2.72 -0.02 -1.26 -4.73 135.00 139.12 2jir n PRO 574 Ca -0.04 0.63 -0.04 0.00 -2.02 0.00 0.00 63.50 62.03 2jir n PRO 574 Cb 0.49 -2.22 0.02 0.00 -0.02 0.00 0.00 33.50 31.77 2jir n PRO 574 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jir h ALA 575 N 3.62 0.11 0.00 3.55 0.00 -1.92 -0.38 119.26 124.23 2jir h ALA 575 Ca -0.44 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2jir h ALA 575 Cb 1.30 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.66 2jir h ALA 575 CO 0.71 -0.58 0.00 -0.40 0.00 0.00 0.00 179.25 178.99 2jir n ASP 576 N -5.41 0.54 -4.75 0.00 5.75 -1.26 -4.86 116.55 106.56 2jir n ASP 576 Ca 0.04 -1.43 -0.41 0.00 -0.01 0.00 0.00 54.79 52.97 2jir n ASP 576 Cb 0.32 -0.27 -0.02 0.00 -1.03 0.00 0.00 41.12 40.12 2jir n ASP 576 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 2jir s HIS 577 N -1.24 2.99 0.48 2.11 2.46 -0.15 -4.92 115.29 117.01 2jir s HIS 577 Ca 0.00 1.14 0.13 0.00 0.47 0.00 0.00 55.06 56.81 2jir s HIS 577 Cb 0.00 -3.80 1.13 0.00 -0.13 0.00 0.00 32.58 29.78 2jir s HIS 577 CO 0.00 -2.47 2.11 -1.35 -2.47 0.00 0.00 174.74 170.55 2jir h PRO 578 N 4.43 0.20 -6.44 2.88 0.11 -1.91 -3.45 132.00 127.82 2jir h PRO 578 Ca -0.47 -0.01 -0.63 0.00 0.11 0.00 0.00 66.00 65.00 2jir h PRO 578 Cb 1.22 -0.04 -0.14 0.00 0.11 0.00 0.00 31.00 32.15 2jir h PRO 578 CO 0.73 0.13 -0.71 -0.51 -0.21 0.00 0.00 178.00 177.43 2jir s ASP 579 N -6.87 4.39 0.40 -2.05 1.01 -1.26 -5.04 116.67 107.26 2jir s ASP 579 Ca -0.06 -0.50 0.16 0.00 0.71 0.00 0.00 52.55 52.85 2jir s ASP 579 Cb 0.17 -0.81 0.85 0.00 1.01 0.00 0.00 42.92 44.15 2jir s ASP 579 CO 0.70 0.11 1.87 0.08 0.21 0.00 0.00 175.17 178.14 2jir h ARG 580 N 2.99 0.00 -6.12 8.23 0.11 -1.96 -3.43 114.38 114.20 2jir h ARG 580 Ca -0.47 0.00 -0.60 0.00 0.10 0.00 0.00 59.98 59.00 2jir h ARG 580 Cb 1.20 0.00 -0.13 0.00 1.11 0.00 0.00 29.97 32.15 2jir h ARG 580 CO 0.55 0.32 -0.71 -0.06 0.10 0.00 0.00 179.97 180.16 2jir s PHE 581 N -4.15 2.39 -0.29 4.08 0.08 -1.26 -0.60 117.98 118.22 2jir s PHE 581 Ca -0.03 -0.37 0.06 0.00 0.12 0.00 0.00 56.93 56.71 2jir s PHE 581 Cb 0.14 -1.16 0.20 0.00 -0.57 0.00 0.00 43.02 41.63 2jir s PHE 581 CO 0.70 0.65 0.59 0.12 -0.10 0.00 0.00 175.22 177.17 2jir s PHE 582 N -2.52 -1.86 -1.16 0.36 5.36 0.53 -4.88 117.98 113.81 2jir s PHE 582 Ca 0.31 1.08 -0.19 0.00 -0.96 0.00 0.00 56.93 57.17 2jir s PHE 582 Cb -0.03 0.32 0.09 0.00 -0.34 0.00 0.00 43.02 43.06 2jir s PHE 582 CO 0.16 -1.09 1.52 -0.06 -1.46 0.00 0.00 175.22 174.29 2jir s PHE 583 N 2.82 2.91 -2.04 10.12 0.08 -0.87 -4.43 117.98 126.56 2jir s PHE 583 Ca 0.10 -1.50 0.24 0.00 0.12 0.00 0.00 56.93 55.89 2jir s PHE 583 Cb -0.10 -4.59 1.34 0.00 -0.57 0.00 0.00 43.02 39.10 2jir s PHE 583 CO -0.26 -1.72 1.87 2.48 -0.10 0.00 0.00 175.22 177.50 2jir n TYR 584 N 7.71 0.02 1.36 0.36 0.18 -1.26 -2.25 117.16 123.28 2jir n TYR 584 Ca 0.39 -0.01 0.14 0.00 1.88 0.00 0.00 57.90 60.30 2jir n TYR 584 Cb 0.47 0.00 0.59 0.00 -0.38 0.00 0.00 39.34 40.03 2jir n TYR 584 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2jir n GLY 585 N 0.90 -1.00 3.42 -7.48 0.00 -1.24 -4.75 105.19 95.04 2jir n GLY 585 Ca 0.18 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 2jir n GLY 585 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jir s LYS 586 N -2.54 2.61 0.17 1.61 -0.14 -0.95 -4.22 119.74 116.28 2jir s LYS 586 Ca 0.27 -0.74 0.15 0.00 -1.36 0.00 0.00 55.97 54.29 2jir s LYS 586 Cb 0.20 -2.36 0.72 0.00 -1.68 0.00 0.00 37.83 34.71 2jir s LYS 586 CO 0.49 0.52 1.46 -0.35 -0.76 0.00 0.00 175.35 176.71 2jir n PRO 587 N 2.60 0.09 -0.10 -1.68 -0.04 -1.26 -1.38 135.00 133.22 2jir n PRO 587 Ca -0.17 0.49 0.07 0.00 -0.04 0.00 0.00 63.50 63.85 2jir n PRO 587 Cb 0.52 -1.74 0.12 0.00 -0.04 0.00 0.00 33.50 32.36 2jir n PRO 587 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2jir n ASP 588 N -1.93 2.65 0.00 3.54 5.75 -1.26 -4.98 116.55 120.32 2jir n ASP 588 Ca 0.00 -1.78 0.00 0.00 -0.01 0.00 0.00 54.79 53.00 2jir n ASP 588 Cb 0.09 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 2jir n ASP 588 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jir n GLY 589 N 0.80 0.65 3.60 6.12 0.00 -0.48 -5.02 105.19 110.86 2jir n GLY 589 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 2jir n GLY 589 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jir s ARG 590 N -0.17 3.25 0.90 1.61 0.52 -1.25 -2.06 118.95 121.74 2jir s ARG 590 Ca 0.00 -0.46 -0.12 0.00 -0.52 0.00 0.00 55.73 54.63 2jir s ARG 590 Cb 0.00 -2.83 0.13 0.00 0.52 0.00 0.00 34.95 32.77 2jir s ARG 590 CO 0.00 0.51 1.13 0.00 0.02 0.00 0.00 175.30 176.96 2jir s ALA 591 N -0.37 1.77 -0.06 2.13 0.00 -0.17 -4.70 121.76 120.36 2jir s ALA 591 Ca 0.07 -0.46 0.03 0.00 0.00 0.00 0.00 51.96 51.59 2jir s ALA 591 Cb -0.12 -3.05 0.01 0.00 0.00 0.00 0.00 23.12 19.96 2jir s ALA 591 CO 0.02 -2.26 -0.13 0.08 0.00 0.00 0.00 175.76 173.47 2jir s VAL 592 N -3.23 1.21 -0.21 0.00 1.01 -0.15 -0.51 120.40 118.52 2jir s VAL 592 Ca 0.63 -0.54 -0.14 0.00 0.00 0.00 0.00 61.98 61.94 2jir s VAL 592 Cb -0.15 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 2jir s VAL 592 CO 0.54 0.37 0.30 -0.63 0.00 0.00 0.00 175.10 175.68 2jir s ILE 593 N 0.53 5.27 -0.14 2.22 1.01 0.03 -4.62 121.20 125.50 2jir s ILE 593 Ca -0.13 0.51 -0.02 0.00 0.00 0.00 0.00 60.65 61.01 2jir s ILE 593 Cb -0.15 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 2jir s ILE 593 CO 0.04 0.30 -0.06 0.26 0.00 0.00 0.00 174.94 175.48 2jir s TRP 594 N 1.10 2.97 -1.22 3.97 0.52 -1.26 -1.08 118.94 123.95 2jir s TRP 594 Ca 0.15 -0.32 -0.05 0.00 0.02 0.00 0.00 56.10 55.90 2jir s TRP 594 Cb -0.14 -1.90 0.20 0.00 -1.15 0.00 0.00 33.47 30.48 2jir s TRP 594 CO 0.06 -0.02 2.02 -1.33 0.02 0.00 0.00 176.95 177.70 2jir n MET 595 N 3.35 4.52 -2.22 4.98 2.81 0.28 -4.84 117.12 126.00 2jir n MET 595 Ca -0.18 -3.88 -0.43 0.00 -1.81 0.00 0.00 57.70 51.40 2jir n MET 595 Cb 0.53 -2.65 -0.02 0.00 -0.71 0.00 0.00 33.22 30.36 2jir n MET 595 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2jir s ARG 596 N -1.67 4.21 0.42 0.03 1.81 -1.26 -3.10 118.95 119.39 2jir s ARG 596 Ca 0.44 1.92 -0.26 0.00 -1.72 0.00 0.00 55.73 56.11 2jir s ARG 596 Cb 0.14 -3.85 -0.08 0.00 -0.45 0.00 0.00 34.95 30.71 2jir s ARG 596 CO -0.05 -0.76 1.32 -2.14 -0.68 0.00 0.00 175.30 173.00 2jir s PRO 597 N 3.63 3.89 -0.11 3.54 0.02 -1.26 -4.97 135.00 139.75 2jir s PRO 597 Ca 0.64 2.19 -0.20 0.00 0.02 0.00 0.00 61.00 63.65 2jir s PRO 597 Cb -0.28 -2.71 -0.04 0.00 0.02 0.00 0.00 34.50 31.49 2jir s PRO 597 CO 0.22 -0.57 0.56 0.00 -0.33 0.00 0.00 177.00 176.88 2jir s ALA 598 N -1.26 3.44 0.00 -1.55 0.00 -1.26 -5.03 121.76 116.09 2jir s ALA 598 Ca 0.58 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.44 2jir s ALA 598 Cb -0.39 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 19.97 2jir s ALA 598 CO 0.50 -0.08 0.00 1.63 0.00 0.00 0.00 175.76 177.81 2jir n LYS 599 N 3.82 0.80 0.00 0.00 4.01 -1.26 -4.98 118.16 120.55 2jir n LYS 599 Ca -0.05 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.75 2jir n LYS 599 Cb 0.51 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.03 2jir n LYS 599 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2jir n GLY 600 N 4.05 3.46 3.72 0.72 0.00 -1.26 -4.76 105.19 111.11 2jir n GLY 600 Ca 0.00 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.90 2jir n GLY 600 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jir s ALA 601 N -1.15 2.12 0.21 4.61 0.00 -1.26 -4.80 121.76 121.49 2jir s ALA 601 Ca 0.00 0.99 -0.08 0.00 0.00 0.00 0.00 51.96 52.87 2jir s ALA 601 Cb 0.00 -3.51 0.16 0.00 0.00 0.00 0.00 23.12 19.77 2jir s ALA 601 CO 0.00 -1.91 1.80 0.00 0.00 0.00 0.00 175.76 175.66 2jir h ALA 602 N -0.18 1.03 -3.44 0.00 0.00 -1.97 -3.36 119.26 111.34 2jir h ALA 602 Ca -0.48 -0.16 -0.64 0.00 0.00 0.00 0.00 54.91 53.62 2jir h ALA 602 Cb 1.31 -0.32 -0.41 0.00 0.00 0.00 0.00 17.79 18.38 2jir h ALA 602 CO 0.50 0.60 -0.65 -2.00 0.00 0.00 0.00 179.25 177.70 2jir s GLU 603 N -5.69 1.88 0.50 0.00 2.12 -1.26 -5.10 118.70 111.15 2jir s GLU 603 Ca -0.13 -2.47 -0.17 0.00 0.36 0.00 0.00 54.97 52.57 2jir s GLU 603 Cb 0.16 -3.30 -0.08 0.00 0.26 0.00 0.00 34.13 31.16 2jir s GLU 603 CO 0.83 -1.07 0.97 -1.21 -0.54 0.00 0.00 175.26 174.23 2jir s GLU 604 N -0.05 3.96 0.73 4.30 0.41 -1.26 -3.32 118.70 123.48 2jir s GLU 604 Ca 0.16 0.94 -0.15 0.00 -0.41 0.00 0.00 54.97 55.51 2jir s GLU 604 Cb -0.24 -2.15 0.04 0.00 -1.78 0.00 0.00 34.13 30.00 2jir s GLU 604 CO -0.02 -0.25 1.19 -2.14 -0.49 0.00 0.00 175.26 173.56 2jir s PRO 605 N -4.01 2.14 0.29 0.39 0.02 -1.26 -4.71 135.00 127.87 2jir s PRO 605 Ca 0.59 1.71 -0.01 0.00 0.02 0.00 0.00 61.00 63.31 2jir s PRO 605 Cb -0.10 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.59 2jir s PRO 605 CO 0.30 -1.82 0.39 -0.40 -0.33 0.00 0.00 177.00 175.14 2jir n ASP 606 N -2.77 -1.09 -0.28 2.53 3.85 -0.74 -4.98 116.55 113.07 2jir n ASP 606 Ca 0.13 -2.58 0.07 0.00 -0.71 0.00 0.00 54.79 51.70 2jir n ASP 606 Cb 0.50 2.05 0.18 0.00 -1.35 0.00 0.00 41.12 42.50 2jir n ASP 606 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2jir h ALA 607 N 1.92 0.84 -0.58 2.12 0.00 -1.97 -1.89 119.26 119.70 2jir h ALA 607 Ca -0.22 0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2jir h ALA 607 Cb 0.98 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 2jir h ALA 607 CO 0.30 -0.44 0.09 1.49 0.00 0.00 0.00 179.25 180.69 2jir h GLU 608 N 0.08 0.97 -3.06 0.00 4.81 -1.99 -3.36 114.58 112.02 2jir h GLU 608 Ca 0.45 -0.26 -0.62 0.00 -0.13 0.00 0.00 59.36 58.80 2jir h GLU 608 Cb 0.81 -0.11 -0.40 0.00 0.63 0.00 0.00 28.75 29.68 2jir h GLU 608 CO -0.73 0.92 -0.71 0.71 -0.73 0.00 0.00 179.01 178.47 2jir s TYR 609 N -5.20 2.33 -2.00 0.92 1.51 -0.76 -4.89 117.35 109.26 2jir s TYR 609 Ca -0.12 -2.65 0.03 0.00 -1.01 0.00 0.00 57.07 53.31 2jir s TYR 609 Cb 0.13 -2.12 0.17 0.00 -0.11 0.00 0.00 41.96 40.02 2jir s TYR 609 CO 0.83 -0.76 1.04 -0.35 -1.11 0.00 0.00 175.55 175.19 2jir n PRO 610 N 3.32 0.93 -4.89 -1.71 -0.04 -0.89 -1.80 135.00 129.92 2jir n PRO 610 Ca 0.09 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.28 2jir n PRO 610 Cb 0.34 -1.05 -0.15 0.00 -0.04 0.00 0.00 33.50 32.61 2jir n PRO 610 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2jir s LEU 611 N -1.09 2.10 0.33 1.53 1.43 -0.73 -4.88 118.68 117.37 2jir s LEU 611 Ca 0.04 -0.46 -0.28 0.00 -1.03 0.00 0.00 54.13 52.41 2jir s LEU 611 Cb 0.02 -1.08 -0.09 0.00 0.03 0.00 0.00 46.19 45.07 2jir s LEU 611 CO 0.03 0.23 1.14 -0.31 0.23 0.00 0.00 176.35 177.67 2jir s TYR 612 N -0.64 3.34 -0.11 0.29 1.51 -0.99 0.42 117.35 121.16 2jir s TYR 612 Ca 0.08 1.62 0.03 0.00 -1.01 0.00 0.00 57.07 57.79 2jir s TYR 612 Cb -0.09 -3.35 0.01 0.00 -0.11 0.00 0.00 41.96 38.42 2jir s TYR 612 CO 0.00 -0.93 -0.21 -1.17 -1.11 0.00 0.00 175.55 172.13 2jir s LEU 613 N -1.88 2.02 0.43 -1.29 2.96 0.65 -1.58 118.68 119.99 2jir s LEU 613 Ca 0.50 -0.54 0.05 0.00 -0.22 0.00 0.00 54.13 53.91 2jir s LEU 613 Cb -0.32 -1.34 -0.06 0.00 0.50 0.00 0.00 46.19 44.97 2jir s LEU 613 CO 0.41 0.11 0.02 0.28 -1.32 0.00 0.00 176.35 175.84 2jir s THR 614 N 0.61 1.61 -0.05 3.68 -1.32 -0.17 -2.09 115.64 117.91 2jir s THR 614 Ca -0.13 -2.00 -0.10 0.00 -1.21 0.00 0.00 61.69 58.25 2jir s THR 614 Cb -0.17 -2.70 0.02 0.00 -1.51 0.00 0.00 72.50 68.14 2jir s THR 614 CO 0.03 0.00 0.25 -0.94 -2.21 0.00 0.00 174.62 171.75 2jir s SER 615 N -3.73 -0.18 0.19 8.08 1.04 -1.26 -1.41 113.70 116.43 2jir s SER 615 Ca 0.26 0.22 -0.14 0.00 0.48 0.00 0.00 55.95 56.77 2jir s SER 615 Cb 0.07 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.60 2jir s SER 615 CO 0.13 -0.26 0.44 0.00 0.98 0.00 0.00 173.24 174.53 2jir s MET 616 N -0.66 1.33 0.52 4.02 0.23 -1.04 -4.83 119.30 118.87 2jir s MET 616 Ca -0.08 -1.01 -0.10 0.00 -1.03 0.00 0.00 55.69 53.47 2jir s MET 616 Cb -0.04 0.47 -0.05 0.00 -1.53 0.00 0.00 34.83 33.68 2jir s MET 616 CO 0.02 -0.54 0.91 1.03 -2.03 0.00 0.00 175.02 174.40 2jir s ARG 617 N -3.92 3.68 0.02 3.16 1.81 -1.26 -4.02 118.95 118.42 2jir s ARG 617 Ca 0.13 0.59 0.02 0.00 -1.72 0.00 0.00 55.73 54.75 2jir s ARG 617 Cb 0.00 -2.23 -0.01 0.00 -0.45 0.00 0.00 34.95 32.26 2jir s ARG 617 CO -0.01 -0.31 -0.07 0.08 -0.68 0.00 0.00 175.30 174.31 2jir s VAL 618 N -2.80 0.52 0.28 3.52 1.01 -1.26 -4.99 120.40 116.67 2jir s VAL 618 Ca 0.53 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.94 2jir s VAL 618 Cb -0.10 -0.50 0.03 0.00 0.00 0.00 0.00 36.38 35.80 2jir s VAL 618 CO 0.43 -0.09 1.68 -0.29 0.00 0.00 0.00 175.10 176.83 2jir h ILE 619 N 4.77 1.31 0.00 2.22 2.10 -1.96 -3.16 117.51 122.80 2jir h ILE 619 Ca -0.32 -1.54 -0.01 0.00 1.08 0.00 0.00 64.86 64.08 2jir h ILE 619 Cb 1.19 1.67 -0.00 0.00 -1.09 0.00 0.00 36.82 38.59 2jir h ILE 619 CO 0.46 0.46 -0.05 0.44 -1.08 0.00 0.00 178.15 178.39 2jir h ASP 620 N 0.25 0.00 -3.56 2.19 3.32 -1.89 -3.46 116.42 113.27 2jir h ASP 620 Ca 0.02 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.40 2jir h ASP 620 Cb 0.84 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.14 2jir h ASP 620 CO 0.07 0.03 -0.76 -1.00 -1.72 0.00 0.00 179.24 175.85 2jir s HIS 621 N -3.20 2.79 -0.26 4.55 3.76 -1.20 -4.87 115.29 116.86 2jir s HIS 621 Ca 0.07 -0.45 -0.17 0.00 -0.15 0.00 0.00 55.06 54.35 2jir s HIS 621 Cb 0.05 -1.77 -0.03 0.00 1.11 0.00 0.00 32.58 31.94 2jir s HIS 621 CO 0.68 -0.06 0.48 -0.46 -0.85 0.00 0.00 174.74 174.53 2jir s TRP 622 N -0.04 3.26 0.00 1.40 -0.11 -1.26 -4.62 118.94 117.57 2jir s TRP 622 Ca -0.03 0.59 0.00 0.00 1.22 0.00 0.00 56.10 57.88 2jir s TRP 622 Cb -0.14 -2.69 0.00 0.00 -1.50 0.00 0.00 33.47 29.14 2jir s TRP 622 CO 0.04 -0.27 0.00 0.72 -4.62 0.00 0.00 176.95 172.82 2jir n HIS 623 N 5.48 0.00 1.86 5.86 8.25 -1.26 -0.52 115.22 134.89 2jir n HIS 623 Ca -0.05 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.57 2jir n HIS 623 Cb 0.50 0.00 0.86 0.00 1.12 0.00 0.00 29.99 32.47 2jir n HIS 623 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2jir n THR 624 N 0.00 0.00 -1.25 1.59 -2.24 -1.26 -3.68 114.28 107.44 2jir n THR 624 Ca 0.00 -0.04 -0.08 0.00 -2.27 0.00 0.00 64.05 61.67 2jir n THR 624 Cb 0.00 -0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 67.86 2jir n THR 624 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jir n ALA 625 N -0.85 -0.12 0.54 6.98 0.00 0.32 -4.76 120.51 122.62 2jir n ALA 625 Ca 0.22 0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.91 2jir n ALA 625 Cb 0.16 -1.06 0.44 0.00 0.00 0.00 0.00 19.45 18.99 2jir n ALA 625 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2jir n THR 626 N -2.82 0.69 -0.01 0.00 -2.24 -1.26 -1.76 114.28 106.87 2jir n THR 626 Ca -0.08 -0.09 -0.04 0.00 -2.27 0.00 0.00 64.05 61.58 2jir n THR 626 Cb 0.26 -0.81 -0.01 0.00 -2.10 0.00 0.00 70.33 67.66 2jir n THR 626 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2jir n MET 627 N -2.27 0.23 0.29 -0.78 2.00 -1.26 -4.61 117.12 110.73 2jir n MET 627 Ca 0.04 0.09 0.16 0.00 0.00 0.00 0.00 57.70 57.99 2jir n MET 627 Cb 0.35 -0.89 0.93 0.00 0.00 0.00 0.00 33.22 33.62 2jir n MET 627 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 2jir h THR 628 N -0.42 0.49 0.00 2.03 1.35 -1.86 -0.60 112.91 113.89 2jir h THR 628 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2jir h THR 628 Cb 0.42 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 2jir h THR 628 CO 0.00 0.00 0.00 1.23 -0.25 0.00 0.00 175.52 176.50 2jir h GLY 629 N 0.00 0.00 1.15 5.82 0.00 -1.61 -1.96 103.07 106.47 2jir h GLY 629 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2jir h GLY 629 CO -0.00 0.00 -0.10 0.28 0.00 0.00 0.00 176.54 176.72 2jir n LYS 630 N -2.78 0.52 -3.59 4.80 4.76 -0.23 -4.72 118.16 116.92 2jir n LYS 630 Ca -0.00 -0.15 -0.41 0.00 -2.87 0.00 0.00 58.31 54.88 2jir n LYS 630 Cb 0.18 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 31.77 2jir n LYS 630 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2jir s VAL 631 N -2.58 4.45 0.21 -0.18 1.01 -0.74 -4.83 120.40 117.75 2jir s VAL 631 Ca 0.26 -1.09 -0.10 0.00 0.00 0.00 0.00 61.98 61.05 2jir s VAL 631 Cb 0.20 -3.59 0.18 0.00 0.00 0.00 0.00 36.38 33.17 2jir s VAL 631 CO 0.49 -0.36 1.68 -0.65 0.00 0.00 0.00 175.10 176.27 2jir h PRO 632 N 8.44 0.18 0.00 2.72 0.11 -1.85 -1.79 132.00 139.81 2jir h PRO 632 Ca -0.25 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.85 2jir h PRO 632 Cb 1.09 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 2jir h PRO 632 CO 0.71 0.12 -0.01 1.05 -0.21 0.00 0.00 178.00 179.67 2jir h GLU 633 N 0.19 0.00 -0.00 1.05 9.09 -1.94 -0.94 114.58 122.02 2jir h GLU 633 Ca 0.32 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.73 2jir h GLU 633 Cb 0.51 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.61 2jir h GLU 633 CO -0.47 0.01 -0.06 1.28 0.05 0.00 0.00 179.01 179.83 2jir n LEU 634 N -3.65 0.11 -0.79 3.06 4.77 -0.67 -3.32 117.00 116.51 2jir n LEU 634 Ca -0.03 0.31 0.12 0.00 -0.03 0.00 0.00 56.01 56.39 2jir n LEU 634 Cb 0.09 -0.36 0.28 0.00 -2.33 0.00 0.00 43.42 41.10 2jir n LEU 634 CO 0.26 0.02 0.73 0.00 -1.33 0.00 0.00 177.39 177.07 2jir n GLN 635 N -1.35 2.07 0.11 3.23 1.13 -0.36 -4.61 117.38 117.61 2jir n GLN 635 Ca 0.11 -1.57 -0.20 0.00 -1.94 0.00 0.00 57.00 53.39 2jir n GLN 635 Cb 0.30 -1.47 -0.13 0.00 0.11 0.00 0.00 30.24 29.04 2jir n GLN 635 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 2jir h LYS 636 N 3.64 0.47 0.00 -1.09 1.63 -1.65 -3.28 116.57 116.29 2jir h LYS 636 Ca 0.00 -0.71 -0.03 0.00 -0.85 0.00 0.00 60.65 59.06 2jir h LYS 636 Cb 0.78 0.25 -0.00 0.00 -0.60 0.00 0.00 32.23 32.66 2jir h LYS 636 CO 0.00 1.32 -0.41 0.00 -3.45 0.00 0.00 179.45 176.91 2jir h ALA 637 N 0.38 0.03 -3.22 5.00 0.00 -1.83 -3.44 119.26 116.18 2jir h ALA 637 Ca -0.18 -0.44 -0.67 0.00 0.00 0.00 0.00 54.91 53.61 2jir h ALA 637 Cb 1.99 0.35 -0.38 0.00 0.00 0.00 0.00 17.79 19.75 2jir h ALA 637 CO 0.23 0.35 -0.46 -0.80 0.00 0.00 0.00 179.25 178.57 2jir s ASN 638 N -5.84 4.91 0.23 0.00 0.01 -1.26 -4.97 114.94 108.02 2jir s ASN 638 Ca -0.12 -3.07 0.07 0.00 -0.71 0.00 0.00 52.86 49.02 2jir s ASN 638 Cb 0.02 -1.76 0.23 0.00 0.41 0.00 0.00 41.25 40.14 2jir s ASN 638 CO 0.23 -0.28 1.54 -0.65 -1.51 0.00 0.00 177.10 176.43 2jir h PRO 639 N 6.61 0.12 -4.29 -0.60 0.11 -1.86 -3.46 132.00 128.63 2jir h PRO 639 Ca -0.01 -0.10 -0.17 0.00 0.11 0.00 0.00 66.00 65.83 2jir h PRO 639 Cb 0.90 0.02 -0.14 0.00 0.11 0.00 0.00 31.00 31.89 2jir h PRO 639 CO 0.71 0.75 -0.53 0.96 -0.21 0.00 0.00 178.00 179.69 2jir s ILE 640 N -3.55 0.06 0.54 4.15 -4.36 -1.26 -5.03 121.20 111.75 2jir s ILE 640 Ca -0.02 -1.78 -0.18 0.00 -0.26 0.00 0.00 60.65 58.40 2jir s ILE 640 Cb 0.12 -2.14 -0.06 0.00 1.25 0.00 0.00 42.46 41.63 2jir s ILE 640 CO 0.79 -0.26 1.05 0.00 0.24 0.00 0.00 174.94 176.77 2jir s ALA 641 N -4.06 2.79 0.30 2.27 0.00 -1.26 -5.04 121.76 116.77 2jir s ALA 641 Ca 0.27 0.52 0.04 0.00 0.00 0.00 0.00 51.96 52.80 2jir s ALA 641 Cb 0.06 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 2jir s ALA 641 CO 0.05 -0.58 0.21 -0.59 0.00 0.00 0.00 175.76 174.85 2jir s PHE 642 N -2.19 1.59 -0.10 0.00 -0.12 -1.26 -4.37 117.98 111.54 2jir s PHE 642 Ca 0.66 -1.53 -0.00 0.00 -0.05 0.00 0.00 56.93 56.01 2jir s PHE 642 Cb -0.17 -0.73 0.02 0.00 -0.63 0.00 0.00 43.02 41.52 2jir s PHE 642 CO 0.28 -0.73 -0.06 0.54 -0.05 0.00 0.00 175.22 175.21 2jir s VAL 643 N -3.63 0.83 0.19 -2.49 0.11 -0.82 -4.09 120.40 110.49 2jir s VAL 643 Ca 0.39 -0.18 -0.30 0.00 -2.93 0.00 0.00 61.98 58.96 2jir s VAL 643 Cb 0.04 -0.88 -0.08 0.00 -1.53 0.00 0.00 36.38 33.92 2jir s VAL 643 CO 0.22 0.33 1.22 -1.61 -3.33 0.00 0.00 175.10 171.92 2jir s GLU 644 N 1.70 4.47 -0.01 1.54 2.02 0.40 -0.51 118.70 128.31 2jir s GLU 644 Ca 0.03 1.91 0.03 0.00 0.02 0.00 0.00 54.97 56.97 2jir s GLU 644 Cb -0.13 -3.23 -0.01 0.00 0.10 0.00 0.00 34.13 30.86 2jir s GLU 644 CO -0.06 -0.12 -0.11 0.42 0.02 0.00 0.00 175.26 175.41 2jir s ILE 645 N -0.04 0.88 0.43 -1.63 1.01 0.56 -2.61 121.20 119.81 2jir s ILE 645 Ca 0.53 -0.47 -0.25 0.00 0.00 0.00 0.00 60.65 60.46 2jir s ILE 645 Cb -0.33 -0.73 -0.08 0.00 0.01 0.00 0.00 42.46 41.32 2jir s ILE 645 CO 0.37 0.25 1.25 0.21 0.00 0.00 0.00 174.94 177.01 2jir s ASN 646 N -0.26 6.21 0.06 3.58 2.47 -1.26 -2.30 114.94 123.45 2jir s ASN 646 Ca 0.04 2.51 -0.35 0.00 0.42 0.00 0.00 52.86 55.48 2jir s ASN 646 Cb -0.04 -2.62 -0.19 0.00 -1.45 0.00 0.00 41.25 36.94 2jir s ASN 646 CO -0.00 -0.90 1.53 -0.33 -3.72 0.00 0.00 177.10 173.67 2jir h GLU 647 N 2.39 -1.17 -0.68 0.43 5.08 -1.22 0.77 114.58 120.18 2jir h GLU 647 Ca -0.49 0.08 0.16 0.00 -1.00 0.00 0.00 59.36 58.11 2jir h GLU 647 Cb 1.25 0.27 -0.04 0.00 0.50 0.00 0.00 28.75 30.73 2jir h GLU 647 CO 0.61 -0.78 0.47 0.93 -1.00 0.00 0.00 179.01 179.24 2jir h GLU 648 N -1.22 0.19 0.10 2.33 5.08 -1.94 -1.86 114.58 117.27 2jir h GLU 648 Ca -0.12 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2jir h GLU 648 Cb 0.95 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2jir h GLU 648 CO 0.16 0.13 -0.05 -0.44 -1.00 0.00 0.00 179.01 177.81 2jir h ASP 649 N 0.20 -0.12 -0.22 1.42 5.19 -1.93 -3.20 116.42 117.75 2jir h ASP 649 Ca 0.33 -0.45 0.03 0.00 -0.62 0.00 0.00 57.03 56.32 2jir h ASP 649 Cb 1.01 0.03 -0.05 0.00 0.18 0.00 0.00 39.33 40.50 2jir h ASP 649 CO -0.06 0.45 -0.33 0.00 -3.12 0.00 0.00 179.24 176.18 2jir h ALA 650 N -0.04 -0.60 -0.80 3.45 0.00 -0.15 -2.84 119.26 118.28 2jir h ALA 650 Ca -0.01 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.06 2jir h ALA 650 Cb 0.56 0.94 -0.11 0.00 0.00 0.00 0.00 17.79 19.19 2jir h ALA 650 CO 0.02 -0.75 0.29 0.00 0.00 0.00 0.00 179.25 178.81 2jir h ALA 651 N -0.58 1.14 -0.49 0.00 0.00 -1.52 0.27 119.26 118.08 2jir h ALA 651 Ca 0.04 0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.12 2jir h ALA 651 Cb 0.36 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2jir h ALA 651 CO -0.34 -0.29 0.32 -0.09 0.00 0.00 0.00 179.25 178.85 2jir h ARG 652 N 0.38 0.55 -0.33 0.00 2.43 -1.50 -2.98 114.38 112.92 2jir h ARG 652 Ca 0.46 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 2jir h ARG 652 Cb 0.78 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 2jir h ARG 652 CO -0.48 0.36 0.00 0.25 -1.51 0.00 0.00 179.97 178.59 2jir n THR 653 N -4.47 0.77 -2.50 0.20 -2.24 -0.29 -5.01 114.28 100.74 2jir n THR 653 Ca 0.05 -0.89 -0.05 0.00 -2.27 0.00 0.00 64.05 60.90 2jir n THR 653 Cb 0.13 0.68 0.01 0.00 -2.10 0.00 0.00 70.33 69.05 2jir n THR 653 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jir n GLY 654 N 0.74 0.48 3.50 3.38 0.00 -0.07 -4.99 105.19 108.22 2jir n GLY 654 Ca 0.13 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 2jir n GLY 654 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jir s ILE 655 N -2.77 4.60 0.50 -0.61 1.01 -0.82 -5.02 121.20 118.10 2jir s ILE 655 Ca 0.08 -0.08 0.08 0.00 0.00 0.00 0.00 60.65 60.74 2jir s ILE 655 Cb -0.04 -3.15 0.08 0.00 0.01 0.00 0.00 42.46 39.37 2jir s ILE 655 CO 0.10 0.34 0.68 1.17 0.00 0.00 0.00 174.94 177.22 2jir n LYS 656 N 4.77 0.66 -3.33 2.79 4.81 -1.26 -4.18 118.16 122.41 2jir n LYS 656 Ca -0.16 -2.74 -0.38 0.00 -0.87 0.00 0.00 58.31 54.17 2jir n LYS 656 Cb 0.52 -0.18 -0.06 0.00 0.02 0.00 0.00 35.03 35.33 2jir n LYS 656 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 2jir s HIS 657 N -2.15 3.76 0.00 5.64 5.65 -1.26 -3.70 115.29 123.23 2jir s HIS 657 Ca 0.51 1.18 0.00 0.00 0.25 0.00 0.00 55.06 57.01 2jir s HIS 657 Cb -0.04 -2.44 0.00 0.00 -1.18 0.00 0.00 32.58 28.92 2jir s HIS 657 CO 0.33 0.57 0.00 0.41 -0.65 0.00 0.00 174.74 175.40 2jir n GLY 658 N 1.56 2.95 3.69 1.59 0.00 -0.87 -5.01 105.19 109.11 2jir n GLY 658 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 2jir n GLY 658 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jir n ASP 659 N 0.00 1.83 -4.70 1.61 9.92 -1.24 -4.45 116.55 119.52 2jir n ASP 659 Ca 0.00 0.88 -0.39 0.00 -0.53 0.00 0.00 54.79 54.74 2jir n ASP 659 Cb 0.00 -1.50 -0.05 0.00 -0.64 0.00 0.00 41.12 38.92 2jir n ASP 659 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2jir s SER 660 N -1.17 6.80 0.10 -2.24 0.15 -1.26 0.38 113.70 116.47 2jir s SER 660 Ca 0.76 0.97 0.08 0.00 0.70 0.00 0.00 55.95 58.46 2jir s SER 660 Cb -0.41 -2.36 -0.03 0.00 -1.71 0.00 0.00 66.02 61.51 2jir s SER 660 CO 0.46 -0.15 -0.20 0.68 1.20 0.00 0.00 173.24 175.23 2jir s VAL 661 N 1.18 1.66 -0.47 4.45 -7.23 0.16 -2.48 120.40 117.67 2jir s VAL 661 Ca 0.32 -1.54 -0.20 0.00 -1.81 0.00 0.00 61.98 58.75 2jir s VAL 661 Cb -0.16 -1.53 0.04 0.00 0.56 0.00 0.00 36.38 35.29 2jir s VAL 661 CO 0.13 -0.09 0.61 -0.63 -0.31 0.00 0.00 175.10 174.82 2jir s ILE 662 N -1.22 4.87 -0.21 -0.62 -1.09 -0.18 0.64 121.20 123.39 2jir s ILE 662 Ca 0.06 -0.19 -0.29 0.00 -2.23 0.00 0.00 60.65 58.00 2jir s ILE 662 Cb -0.10 -4.23 0.01 0.00 -1.58 0.00 0.00 42.46 36.56 2jir s ILE 662 CO 0.04 -0.67 1.03 -0.69 -1.23 0.00 0.00 174.94 173.42 2jir s VAL 663 N 2.68 4.70 0.04 2.92 1.01 -0.32 -2.19 120.40 129.23 2jir s VAL 663 Ca 0.18 2.03 0.07 0.00 0.00 0.00 0.00 61.98 64.26 2jir s VAL 663 Cb -0.16 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 31.88 2jir s VAL 663 CO 0.15 -0.15 -0.21 -0.70 0.00 0.00 0.00 175.10 174.19 2jir s GLU 664 N 3.00 1.45 0.30 2.72 2.12 0.22 -0.51 118.70 128.00 2jir s GLU 664 Ca 0.45 -0.94 0.03 0.00 0.36 0.00 0.00 54.97 54.87 2jir s GLU 664 Cb -0.16 -1.55 -0.04 0.00 0.26 0.00 0.00 34.13 32.64 2jir s GLU 664 CO 0.08 0.40 0.14 0.95 -0.54 0.00 0.00 175.26 176.29 2jir s THR 665 N -0.77 0.44 0.32 -1.70 -4.23 -0.40 -0.39 115.64 108.89 2jir s THR 665 Ca 0.08 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 58.79 2jir s THR 665 Cb -0.09 -2.54 0.20 0.00 1.34 0.00 0.00 72.50 71.42 2jir s THR 665 CO 0.02 0.00 1.57 0.03 -0.54 0.00 0.00 174.62 175.70 2jir h ARG 666 N 2.21 0.00 0.00 3.99 3.08 -1.86 -2.88 114.38 118.92 2jir h ARG 666 Ca -0.35 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.66 2jir h ARG 666 Cb 1.25 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 2jir h ARG 666 CO 0.55 0.00 -1.57 0.54 -1.07 0.00 0.00 179.97 178.42 2jir n ARG 667 N -2.44 0.78 -3.30 0.04 1.74 -1.26 -5.10 116.66 107.12 2jir n ARG 667 Ca -0.01 -0.08 -0.02 0.00 -0.77 0.00 0.00 57.85 56.96 2jir n ARG 667 Cb 0.36 -1.27 0.02 0.00 -1.02 0.00 0.00 32.46 30.54 2jir n ARG 667 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2jir n ASP 668 N -2.01 -1.30 -3.70 0.55 -0.08 -1.09 -4.91 116.55 104.02 2jir n ASP 668 Ca -0.06 -1.66 -0.11 0.00 -1.51 0.00 0.00 54.79 51.45 2jir n ASP 668 Cb 0.42 2.10 -0.12 0.00 2.34 0.00 0.00 41.12 45.86 2jir n ASP 668 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jir s ALA 669 N -1.79 -0.79 -0.04 -1.67 0.00 -1.26 -1.28 121.76 114.94 2jir s ALA 669 Ca 0.18 1.22 -0.01 0.00 0.00 0.00 0.00 51.96 53.35 2jir s ALA 669 Cb -0.02 -0.88 0.03 0.00 0.00 0.00 0.00 23.12 22.25 2jir s ALA 669 CO 0.04 -0.36 0.05 1.41 0.00 0.00 0.00 175.76 176.90 2jir s MET 670 N 1.67 -0.06 0.16 0.00 1.75 0.33 -5.00 119.30 118.16 2jir s MET 670 Ca -0.07 0.33 -0.31 0.00 -1.25 0.00 0.00 55.69 54.39 2jir s MET 670 Cb -0.10 -0.42 -0.09 0.00 2.84 0.00 0.00 34.83 37.06 2jir s MET 670 CO -0.10 -0.28 1.47 -2.00 -0.65 0.00 0.00 175.02 173.46 2jir s GLU 671 N 1.83 4.27 -0.13 4.11 2.12 -1.26 -1.17 118.70 128.47 2jir s GLU 671 Ca 0.00 2.23 -0.10 0.00 0.36 0.00 0.00 54.97 57.47 2jir s GLU 671 Cb -0.12 -3.18 0.04 0.00 0.26 0.00 0.00 34.13 31.12 2jir s GLU 671 CO -0.03 -0.50 0.32 -0.51 -0.54 0.00 0.00 175.26 174.01 2jir s LEU 672 N 0.82 0.57 0.15 2.70 1.43 0.21 -4.96 118.68 119.60 2jir s LEU 672 Ca 0.66 0.66 -0.30 0.00 -1.03 0.00 0.00 54.13 54.12 2jir s LEU 672 Cb -0.41 1.08 -0.08 0.00 0.03 0.00 0.00 46.19 46.82 2jir s LEU 672 CO 0.33 -0.13 1.22 -2.16 0.23 0.00 0.00 176.35 175.84 2jir s PRO 673 N 0.56 4.46 0.08 1.29 0.04 -1.26 -0.67 135.00 139.49 2jir s PRO 673 Ca -0.03 1.88 -0.30 0.00 0.04 0.00 0.00 61.00 62.59 2jir s PRO 673 Cb -0.05 -3.26 -0.05 0.00 0.04 0.00 0.00 34.50 31.18 2jir s PRO 673 CO -0.03 -0.17 1.07 0.00 0.04 0.00 0.00 177.00 177.91 2jir s ALA 674 N 0.31 3.29 -0.25 8.56 0.00 0.16 -1.95 121.76 131.88 2jir s ALA 674 Ca 0.55 0.70 -0.05 0.00 0.00 0.00 0.00 51.96 53.17 2jir s ALA 674 Cb -0.33 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.43 2jir s ALA 674 CO 0.34 -0.26 -0.00 0.50 0.00 0.00 0.00 175.76 176.35 2jir s ARG 675 N 0.56 3.24 -0.21 0.00 3.52 0.34 -2.04 118.95 124.35 2jir s ARG 675 Ca 0.53 -0.73 -0.05 0.00 -0.13 0.00 0.00 55.73 55.34 2jir s ARG 675 Cb -0.26 -3.14 -0.02 0.00 -1.56 0.00 0.00 34.95 29.97 2jir s ARG 675 CO 0.30 -0.30 0.01 0.08 -0.81 0.00 0.00 175.30 174.58 2jir s VAL 676 N 1.47 3.93 0.17 7.11 1.01 -1.26 -0.32 120.40 132.51 2jir s VAL 676 Ca 0.04 -0.31 -0.10 0.00 0.00 0.00 0.00 61.98 61.61 2jir s VAL 676 Cb -0.16 -2.79 0.04 0.00 0.00 0.00 0.00 36.38 33.47 2jir s VAL 676 CO -0.01 0.41 0.50 -1.20 0.00 0.00 0.00 175.10 174.80 2jir n SER 677 N 4.50 -1.17 -1.25 3.32 7.64 -0.97 -4.95 113.62 120.73 2jir n SER 677 Ca -0.17 -1.74 0.12 0.00 1.01 0.00 0.00 58.87 58.09 2jir n SER 677 Cb 0.51 1.93 0.27 0.00 -1.01 0.00 0.00 64.21 65.91 2jir n SER 677 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2jir n ASP 678 N -1.17 3.71 0.20 6.43 3.85 -1.26 -0.75 116.55 127.56 2jir n ASP 678 Ca -0.03 -2.00 -0.16 0.00 -0.71 0.00 0.00 54.79 51.88 2jir n ASP 678 Cb 0.33 -0.36 -0.09 0.00 -1.35 0.00 0.00 41.12 39.65 2jir n ASP 678 CO 0.00 0.00 0.00 0.58 -1.01 0.00 0.00 177.20 176.77 2jir h VAL 679 N 4.41 0.08 -3.47 2.12 2.07 -1.91 -3.40 116.25 116.15 2jir h VAL 679 Ca 0.00 0.00 -0.53 0.00 0.82 0.00 0.00 66.70 66.99 2jir h VAL 679 Cb 0.99 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 2jir h VAL 679 CO 0.00 0.00 0.40 0.00 0.02 0.00 0.00 177.57 177.99 2jir s ARG 681 N 0.45 1.44 0.24 0.00 1.70 -1.07 -4.35 118.95 117.35 2jir s ARG 681 Ca 0.50 1.09 -0.31 0.00 -0.47 0.00 0.00 55.73 56.54 2jir s ARG 681 Cb -0.24 -1.81 -0.13 0.00 -0.57 0.00 0.00 34.95 32.20 2jir s ARG 681 CO 0.30 -2.19 1.47 -2.30 -1.08 0.00 0.00 175.30 171.50 2jir n PRO 682 N -3.88 2.18 -1.26 3.89 -0.02 -1.26 -2.86 135.00 131.79 2jir n PRO 682 Ca 0.08 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 2jir n PRO 682 Cb 0.54 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 2jir n PRO 682 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jir n GLY 683 N 2.39 0.68 3.11 -1.23 0.00 -1.26 -5.06 105.19 103.83 2jir n GLY 683 Ca 0.12 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 2jir n GLY 683 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jir s LEU 684 N 0.00 0.44 0.24 0.99 2.96 -1.14 -2.35 118.68 119.82 2jir s LEU 684 Ca 0.00 0.59 0.09 0.00 -0.22 0.00 0.00 54.13 54.58 2jir s LEU 684 Cb 0.00 0.87 -0.05 0.00 0.50 0.00 0.00 46.19 47.51 2jir s LEU 684 CO 0.00 -0.16 -0.14 0.27 -1.32 0.00 0.00 176.35 175.00 2jir s ILE 685 N 1.06 1.92 -0.07 6.68 -4.36 -0.61 -4.18 121.20 121.65 2jir s ILE 685 Ca -0.07 -2.25 -0.05 0.00 -0.26 0.00 0.00 60.65 58.02 2jir s ILE 685 Cb -0.08 -2.18 0.03 0.00 1.25 0.00 0.00 42.46 41.47 2jir s ILE 685 CO -0.07 -0.49 0.16 0.00 0.24 0.00 0.00 174.94 174.78 2jir s ALA 686 N -2.85 -0.37 -0.01 2.27 0.00 -1.07 -1.00 121.76 118.72 2jir s ALA 686 Ca 0.26 0.57 0.08 0.00 0.00 0.00 0.00 51.96 52.86 2jir s ALA 686 Cb -0.01 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 2jir s ALA 686 CO 0.10 -0.11 -0.24 0.14 0.00 0.00 0.00 175.76 175.64 2jir s VAL 687 N 0.53 1.94 0.58 0.00 -7.23 -0.50 -0.45 120.40 115.26 2jir s VAL 687 Ca -0.04 -1.08 -0.05 0.00 -1.81 0.00 0.00 61.98 59.00 2jir s VAL 687 Cb -0.05 -1.61 0.01 0.00 0.56 0.00 0.00 36.38 35.28 2jir s VAL 687 CO -0.03 0.51 0.87 -2.16 -0.31 0.00 0.00 175.10 173.99 2jir s PRO 688 N -0.66 2.91 0.00 4.82 0.04 -1.26 -2.50 135.00 138.35 2jir s PRO 688 Ca 0.10 -0.08 0.05 0.00 0.04 0.00 0.00 61.00 61.10 2jir s PRO 688 Cb -0.09 -2.31 0.14 0.00 0.04 0.00 0.00 34.50 32.28 2jir s PRO 688 CO -0.01 -0.66 1.10 1.97 0.04 0.00 0.00 177.00 179.44 2jir n PHE 689 N -2.53 0.21 0.25 0.56 1.16 -1.26 -4.71 117.46 111.14 2jir n PHE 689 Ca 0.04 -0.47 0.14 0.00 -1.87 0.00 0.00 57.45 55.29 2jir n PHE 689 Cb 0.58 -0.04 0.48 0.00 -1.61 0.00 0.00 39.48 38.89 2jir n PHE 689 CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16 2jir h PHE 690 N 0.96 0.00 -3.38 2.97 -0.00 -1.91 -3.43 116.94 112.13 2jir h PHE 690 Ca 0.00 0.00 -0.60 0.00 -0.00 0.00 0.00 57.97 57.37 2jir h PHE 690 Cb 0.59 0.00 -0.10 0.00 -0.00 0.00 0.00 35.95 36.44 2jir h PHE 690 CO 0.10 0.05 0.28 0.34 -0.00 0.00 0.00 178.31 179.08 2jir s ASP 691 N -5.94 6.72 0.19 -0.68 3.68 -1.26 -4.33 116.67 115.05 2jir s ASP 691 Ca 0.03 0.89 0.25 0.00 2.13 0.00 0.00 52.55 55.84 2jir s ASP 691 Cb 0.08 -2.38 0.90 0.00 -1.45 0.00 0.00 42.92 40.07 2jir s ASP 691 CO 0.60 -0.41 1.74 -0.81 0.13 0.00 0.00 175.17 176.43 2jir n PRO 692 N 5.65 0.19 0.00 4.34 -0.04 -1.26 -2.88 135.00 141.00 2jir n PRO 692 Ca 0.02 0.27 0.14 0.00 -0.04 0.00 0.00 63.50 63.89 2jir n PRO 692 Cb 0.49 -1.77 0.59 0.00 -0.04 0.00 0.00 33.50 32.76 2jir n PRO 692 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2jir n LYS 693 N -2.12 0.99 -3.28 0.54 5.02 -1.26 -4.36 118.16 113.70 2jir n LYS 693 Ca 0.04 -0.43 -0.25 0.00 -2.02 0.00 0.00 58.31 55.66 2jir n LYS 693 Cb 0.33 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.76 2jir n LYS 693 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2jir n LYS 694 N -0.63 0.40 -2.46 1.97 4.76 -1.14 -5.06 118.16 115.99 2jir n LYS 694 Ca 0.16 -3.12 -0.39 0.00 -2.87 0.00 0.00 58.31 52.10 2jir n LYS 694 Cb 0.29 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.96 2jir n LYS 694 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2jir s LEU 695 N -0.37 3.50 0.42 -0.35 1.43 -1.26 -4.67 118.68 117.38 2jir s LEU 695 Ca 0.34 -1.56 0.12 0.00 -1.03 0.00 0.00 54.13 52.00 2jir s LEU 695 Cb 0.09 -2.57 0.91 0.00 0.03 0.00 0.00 46.19 44.65 2jir s LEU 695 CO -0.16 -1.71 1.96 -0.37 0.23 0.00 0.00 176.35 176.29 2jir h VAL 696 N 6.57 1.15 0.00 -1.59 -1.51 -1.86 -1.40 116.25 117.61 2jir h VAL 696 Ca 0.24 -0.69 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 2jir h VAL 696 Cb 0.97 1.28 0.00 0.00 -2.13 0.00 0.00 31.29 31.41 2jir h VAL 696 CO 1.39 0.20 0.00 0.59 -1.23 0.00 0.00 177.57 178.53 2jir n ASN 697 N -4.30 0.00 0.15 4.19 3.02 -1.26 -0.35 115.26 116.70 2jir n ASN 697 Ca -0.02 -0.13 0.05 0.00 -0.03 0.00 0.00 54.58 54.45 2jir n ASN 697 Cb 0.25 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.47 2jir n ASN 697 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2jir h LYS 698 N 0.00 0.00 0.09 3.52 1.57 -1.59 0.28 116.57 120.45 2jir h LYS 698 Ca 0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.47 2jir h LYS 698 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2jir h LYS 698 CO 0.00 0.35 -1.63 -0.07 -0.57 0.00 0.00 179.45 177.53 2jir h LEU 699 N 0.00 0.31 -9.85 2.94 3.38 -0.91 -3.36 115.31 107.82 2jir h LEU 699 Ca -0.02 -0.50 -0.51 0.00 0.09 0.00 0.00 57.88 56.95 2jir h LEU 699 Cb 1.29 -0.10 0.04 0.00 0.09 0.00 0.00 40.66 41.98 2jir h LEU 699 CO 0.05 1.42 0.55 -0.36 0.09 0.00 0.00 178.44 180.19 2jir s PHE 700 N -2.61 3.31 1.02 1.13 0.08 -1.22 -4.56 117.98 115.13 2jir s PHE 700 Ca -0.10 1.57 -0.16 0.00 0.12 0.00 0.00 56.93 58.35 2jir s PHE 700 Cb 0.07 -3.46 0.21 0.00 -0.57 0.00 0.00 43.02 39.27 2jir s PHE 700 CO 0.83 -1.18 1.24 -1.17 -0.10 0.00 0.00 175.22 174.84 2jir s LEU 701 N -1.68 2.07 0.00 -0.37 2.96 -1.26 -2.09 118.68 118.31 2jir s LEU 701 Ca 0.47 0.47 0.00 0.00 -0.22 0.00 0.00 54.13 54.85 2jir s LEU 701 Cb -0.35 -2.48 0.00 0.00 0.50 0.00 0.00 46.19 43.86 2jir s LEU 701 CO 0.46 -3.06 0.10 -0.67 -1.32 0.00 0.00 176.35 171.87 2jir n ASP 702 N -4.02 0.20 -4.66 3.68 2.03 -1.26 -4.31 116.55 108.22 2jir n ASP 702 Ca 0.13 -0.54 -0.39 0.00 0.52 0.00 0.00 54.79 54.52 2jir n ASP 702 Cb 0.59 0.47 0.04 0.00 -0.72 0.00 0.00 41.12 41.51 2jir n ASP 702 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jir n ALA 703 N -0.47 0.64 -2.63 -1.67 0.00 -1.26 -4.73 120.51 110.39 2jir n ALA 703 Ca 0.00 0.08 -0.17 0.00 0.00 0.00 0.00 53.44 53.35 2jir n ALA 703 Cb 0.02 -2.19 -0.12 0.00 0.00 0.00 0.00 19.45 17.17 2jir n ALA 703 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2jir s THR 704 N -1.40 1.08 0.15 0.00 -4.23 -1.26 -0.93 115.64 109.06 2jir s THR 704 Ca 0.72 -1.44 -0.32 0.00 -1.18 0.00 0.00 61.69 59.48 2jir s THR 704 Cb -0.44 -1.19 -0.12 0.00 1.34 0.00 0.00 72.50 72.10 2jir s THR 704 CO 0.49 -0.34 1.78 -0.67 -0.54 0.00 0.00 174.62 175.34 2jir n ASP 705 N 1.00 3.94 0.26 3.99 4.64 -0.56 -4.75 116.55 125.06 2jir n ASP 705 Ca -0.19 1.02 0.17 0.00 -1.38 0.00 0.00 54.79 54.41 2jir n ASP 705 Cb 0.55 -1.54 0.85 0.00 -1.04 0.00 0.00 41.12 39.94 2jir n ASP 705 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 2jir h PRO 706 N 7.68 0.00 0.00 -0.67 0.11 -1.93 0.47 132.00 137.66 2jir h PRO 706 Ca -0.45 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.55 2jir h PRO 706 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 2jir h PRO 706 CO 0.95 0.00 -1.18 0.28 -0.21 0.00 0.00 178.00 177.84 2jir n VAL 707 N -2.78 1.49 0.23 3.15 0.31 -1.26 -4.63 118.33 114.83 2jir n VAL 707 Ca -0.01 0.05 0.12 0.00 -0.01 0.00 0.00 64.34 64.49 2jir n VAL 707 Cb 0.14 -2.24 0.13 0.00 -0.91 0.00 0.00 33.84 30.96 2jir n VAL 707 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2jir h SER 708 N -1.00 0.00 -1.31 4.52 4.64 -1.84 -3.48 113.55 115.08 2jir h SER 708 Ca -0.17 -0.01 -0.37 0.00 -0.47 0.00 0.00 61.79 60.77 2jir h SER 708 Cb 1.01 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.99 2jir h SER 708 CO -0.10 0.01 -0.37 0.54 -0.87 0.00 0.00 176.83 176.03 2jir n ARG 709 N -2.87 -1.31 -2.52 4.77 5.12 0.16 -4.79 116.66 115.22 2jir n ARG 709 Ca 0.03 1.07 -0.41 0.00 -1.93 0.00 0.00 57.85 56.61 2jir n ARG 709 Cb 0.53 -5.41 -0.04 0.00 -1.16 0.00 0.00 32.46 26.38 2jir n ARG 709 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 2jir s GLU 710 N -3.89 4.58 0.39 5.56 2.12 -1.25 -4.72 118.70 121.49 2jir s GLU 710 Ca 0.00 1.70 -0.24 0.00 0.36 0.00 0.00 54.97 56.79 2jir s GLU 710 Cb 0.00 -3.29 -0.09 0.00 0.26 0.00 0.00 34.13 31.00 2jir s GLU 710 CO 0.00 0.05 1.02 -2.14 -0.54 0.00 0.00 175.26 173.65 2jir s PRO 711 N -0.18 4.23 -1.47 4.30 0.02 -1.26 -1.50 135.00 139.14 2jir s PRO 711 Ca 0.50 1.44 -0.14 0.00 0.02 0.00 0.00 61.00 62.83 2jir s PRO 711 Cb -0.29 -2.54 0.03 0.00 0.02 0.00 0.00 34.50 31.71 2jir s PRO 711 CO 0.34 -0.07 2.29 -1.91 -0.33 0.00 0.00 177.00 177.32 2jir n GLU 712 N -0.03 2.92 0.19 5.54 2.13 -0.10 -3.83 120.64 127.44 2jir n GLU 712 Ca 0.05 -2.56 0.04 0.00 0.66 0.00 0.00 57.16 55.35 2jir n GLU 712 Cb 0.50 -3.24 0.35 0.00 0.27 0.00 0.00 31.44 29.32 2jir n GLU 712 CO 0.00 0.00 0.00 1.88 -0.41 0.00 0.00 177.13 178.60 2jir h TYR 713 N 5.92 0.00 0.00 4.31 -1.99 -1.84 -3.22 116.97 120.15 2jir h TYR 713 Ca 0.60 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.33 2jir h TYR 713 Cb 0.61 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.34 2jir h TYR 713 CO 1.50 0.39 0.00 0.87 -0.00 0.00 0.00 178.16 180.92 2jir h LYS 714 N 0.00 0.00 -3.26 4.88 1.79 -1.80 -3.38 116.57 114.81 2jir h LYS 714 Ca -0.00 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.24 2jir h LYS 714 Cb 0.81 0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 31.16 2jir h LYS 714 CO 0.05 0.00 -0.57 0.42 -1.08 0.00 0.00 179.45 178.27 2jir s ILE 715 N -3.44 -0.04 0.35 1.86 1.01 -1.22 -4.26 121.20 115.47 2jir s ILE 715 Ca 0.03 0.13 -0.15 0.00 0.00 0.00 0.00 60.65 60.66 2jir s ILE 715 Cb 0.09 -0.25 0.04 0.00 0.01 0.00 0.00 42.46 42.35 2jir s ILE 715 CO 0.43 0.05 0.72 0.00 0.00 0.00 0.00 174.94 176.14 2jir s ALA 717 N -2.86 3.55 0.31 0.00 0.00 -1.21 -0.26 121.76 121.30 2jir s ALA 717 Ca 0.17 -0.42 0.03 0.00 0.00 0.00 0.00 51.96 51.74 2jir s ALA 717 Cb -0.04 -2.51 -0.05 0.00 0.00 0.00 0.00 23.12 20.52 2jir s ALA 717 CO 0.11 -0.03 0.10 0.00 0.00 0.00 0.00 175.76 175.95 2jir s ALA 718 N 0.72 2.11 0.04 0.00 0.00 0.17 -4.50 121.76 120.30 2jir s ALA 718 Ca 0.19 -1.81 -0.06 0.00 0.00 0.00 0.00 51.96 50.29 2jir s ALA 718 Cb -0.14 0.93 -0.01 0.00 0.00 0.00 0.00 23.12 23.90 2jir s ALA 718 CO 0.06 -0.41 0.10 -0.98 0.00 0.00 0.00 175.76 174.53 2jir s ARG 719 N -3.91 0.61 0.07 0.00 1.70 0.47 -1.76 118.95 116.13 2jir s ARG 719 Ca 0.35 -0.77 0.07 0.00 -0.47 0.00 0.00 55.73 54.91 2jir s ARG 719 Cb 0.07 0.24 -0.03 0.00 -0.57 0.00 0.00 34.95 34.66 2jir s ARG 719 CO 0.15 -0.16 -0.18 0.08 -1.08 0.00 0.00 175.30 174.12 2jir s VAL 720 N -2.71 1.44 -0.20 4.99 1.01 -1.26 -0.61 120.40 123.06 2jir s VAL 720 Ca -0.04 -1.28 -0.15 0.00 0.00 0.00 0.00 61.98 60.51 2jir s VAL 720 Cb -0.01 -1.31 0.06 0.00 0.00 0.00 0.00 36.38 35.13 2jir s VAL 720 CO -0.05 -0.01 0.50 -0.60 0.00 0.00 0.00 175.10 174.94 2jir s ARG 721 N -1.51 0.55 -0.02 2.72 3.52 -0.93 -5.01 118.95 118.27 2jir s ARG 721 Ca 0.04 0.80 -0.30 0.00 -0.13 0.00 0.00 55.73 56.14 2jir s ARG 721 Cb -0.09 0.17 -0.07 0.00 -1.56 0.00 0.00 34.95 33.40 2jir s ARG 721 CO 0.03 -0.11 1.78 0.21 -0.81 0.00 0.00 175.30 176.40 2jir s LYS 722 N 0.79 4.15 0.00 5.12 2.20 -1.26 -1.01 119.74 129.73 2jir s LYS 722 Ca -0.04 2.35 0.00 0.00 -0.36 0.00 0.00 55.97 57.92 2jir s LYS 722 Cb -0.05 -4.06 0.00 0.00 -1.51 0.00 0.00 37.83 32.21 2jir s LYS 722 CO -0.06 -0.90 0.08 0.00 -0.36 0.00 0.00 175.35 174.10