#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2irm n TRP 14 N 0.00 0.39 -0.30 7.33 -0.00 -1.26 -4.69 117.44 118.90 2irm n TRP 14 Ca 0.00 0.56 0.03 0.00 -0.00 0.00 0.00 57.50 58.09 2irm n TRP 14 Cb 0.00 -1.10 0.17 0.00 -0.00 0.00 0.00 31.31 30.38 2irm n TRP 14 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 177.69 179.48 2irm h THR 15 N 1.67 0.91 -1.43 5.87 1.35 -1.94 -1.60 112.91 117.75 2irm h THR 15 Ca -0.26 -0.28 0.41 0.00 -0.55 0.00 0.00 66.41 65.73 2irm h THR 15 Cb 0.75 0.02 -0.06 0.00 -1.73 0.00 0.00 68.15 67.13 2irm h THR 15 CO 0.36 0.15 1.17 0.47 -0.25 0.00 0.00 175.52 177.41 2irm n ASP 16 N -4.73 0.00 -0.06 5.36 10.43 -1.26 0.55 116.55 126.85 2irm n ASP 16 Ca 0.14 0.78 -0.21 0.00 2.57 0.00 0.00 54.79 58.07 2irm n ASP 16 Cb 0.28 -0.36 -0.13 0.00 1.84 0.00 0.00 41.12 42.76 2irm n ASP 16 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 2irm n ASP 17 N -3.41 2.03 -3.97 -2.24 8.00 -0.60 -4.96 116.55 111.40 2irm n ASP 17 Ca 0.32 0.15 -0.41 0.00 0.71 0.00 0.00 54.79 55.56 2irm n ASP 17 Cb 1.60 -0.75 -0.02 0.00 -0.02 0.00 0.00 41.12 41.93 2irm n ASP 17 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2irm n LEU 18 N -3.62 -1.76 -4.53 0.64 4.77 0.19 -4.79 117.00 107.90 2irm n LEU 18 Ca -0.38 0.91 -0.40 0.00 -0.03 0.00 0.00 56.01 56.10 2irm n LEU 18 Cb 0.97 -0.84 0.02 0.00 -2.33 0.00 0.00 43.42 41.24 2irm n LEU 18 CO 0.31 -3.19 0.29 1.17 -1.33 0.00 0.00 177.39 174.64 2irm n LYS 19 N 1.04 0.85 -3.97 3.23 4.81 -1.26 -4.81 118.16 118.06 2irm n LYS 19 Ca 0.14 0.31 -0.35 0.00 -0.87 0.00 0.00 58.31 57.55 2irm n LYS 19 Cb 0.29 -1.79 -0.06 0.00 0.02 0.00 0.00 35.03 33.48 2irm n LYS 19 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2irm s VAL 20 N -1.45 5.24 -0.48 3.15 -7.23 -1.26 -2.38 120.40 115.99 2irm s VAL 20 Ca 0.66 -0.08 -0.28 0.00 -1.81 0.00 0.00 61.98 60.46 2irm s VAL 20 Cb -0.54 -3.36 0.03 0.00 0.56 0.00 0.00 36.38 33.07 2irm s VAL 20 CO 0.56 0.45 1.08 0.00 -0.31 0.00 0.00 175.10 176.88 2irm n ASN 22 N 7.68 0.00 -1.23 0.00 0.23 -1.26 -2.52 115.26 118.16 2irm n ASN 22 Ca 0.10 -0.66 0.05 0.00 -0.53 0.00 0.00 54.58 53.55 2irm n ASN 22 Cb 0.49 0.00 0.29 0.00 -2.08 0.00 0.00 39.78 38.48 2irm n ASN 22 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2irm n GLN 23 N -0.95 3.28 -4.02 -3.83 6.02 -1.26 -4.97 117.38 111.65 2irm n GLN 23 Ca 0.13 -2.97 -0.18 0.00 -0.01 0.00 0.00 57.00 53.97 2irm n GLN 23 Cb 0.06 -1.97 -0.16 0.00 1.02 0.00 0.00 30.24 29.19 2irm n GLN 23 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2irm s THR 24 N -2.88 0.31 -0.07 5.09 2.01 -1.05 -0.59 115.64 118.46 2irm s THR 24 Ca 0.46 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.48 2irm s THR 24 Cb 0.37 -0.38 -0.03 0.00 0.01 0.00 0.00 72.50 72.48 2irm s THR 24 CO 0.10 0.17 -0.10 -0.83 -0.69 0.00 0.00 174.62 173.27 2irm s GLY 25 N 0.96 1.62 -0.08 4.40 0.00 -0.39 -4.61 107.32 109.21 2irm s GLY 25 Ca -0.11 -0.92 0.02 0.00 0.00 0.00 0.00 44.72 43.72 2irm s GLY 25 CO -0.01 -0.62 -0.13 0.14 0.00 0.00 0.00 173.10 172.47 2irm s VAL 26 N -0.59 3.09 -0.03 1.40 1.01 -1.26 -1.58 120.40 122.44 2irm s VAL 26 Ca 0.09 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.43 2irm s VAL 26 Cb -0.12 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 2irm s VAL 26 CO 0.02 0.57 -0.20 -0.83 0.00 0.00 0.00 175.10 174.65 2irm s GLY 27 N -0.37 1.02 -0.01 4.51 0.00 -0.59 -3.81 107.32 108.07 2irm s GLY 27 Ca 0.04 -0.86 -0.01 0.00 0.00 0.00 0.00 44.72 43.89 2irm s GLY 27 CO 0.02 -0.63 0.03 -0.54 0.00 0.00 0.00 173.10 171.98 2irm s GLU 28 N -0.32 0.02 -0.03 2.90 2.02 -1.26 -0.97 118.70 121.06 2irm s GLU 28 Ca 0.04 0.08 0.03 0.00 0.02 0.00 0.00 54.97 55.13 2irm s GLU 28 Cb -0.09 -0.03 0.01 0.00 0.10 0.00 0.00 34.13 34.11 2irm s GLU 28 CO 0.00 -0.04 -0.10 0.00 0.02 0.00 0.00 175.26 175.15 2irm s ALA 29 N 0.23 0.95 0.39 5.21 0.00 -0.53 -4.96 121.76 123.05 2irm s ALA 29 Ca -0.02 -0.35 -0.24 0.00 0.00 0.00 0.00 51.96 51.35 2irm s ALA 29 Cb -0.03 -0.37 -0.09 0.00 0.00 0.00 0.00 23.12 22.63 2irm s ALA 29 CO -0.01 0.14 1.02 -1.50 0.00 0.00 0.00 175.76 175.41 2irm s ILE 30 N 0.28 3.90 0.56 0.00 1.10 -1.26 -0.55 121.20 125.23 2irm s ILE 30 Ca -0.05 1.44 -0.20 0.00 -0.51 0.00 0.00 60.65 61.33 2irm s ILE 30 Cb -0.10 -3.73 -0.06 0.00 0.15 0.00 0.00 42.46 38.71 2irm s ILE 30 CO 0.01 -0.01 0.94 -0.46 -2.11 0.00 0.00 174.94 173.31 2irm n ASN 31 N -0.03 0.75 -3.97 4.50 0.23 -1.26 -4.79 115.26 110.69 2irm n ASN 31 Ca 0.05 0.85 -0.12 0.00 -0.53 0.00 0.00 54.58 54.83 2irm n ASN 31 Cb 0.50 -1.37 -0.12 0.00 -2.08 0.00 0.00 39.78 36.71 2irm n ASN 31 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 2irm s GLN 32 N -2.54 0.32 -0.26 -3.83 -0.21 0.19 -1.73 119.66 111.59 2irm s GLN 32 Ca 0.72 -0.42 -0.07 0.00 0.02 0.00 0.00 55.36 55.61 2irm s GLN 32 Cb -0.45 -0.13 -0.02 0.00 1.00 0.00 0.00 33.01 33.41 2irm s GLN 32 CO 0.50 0.02 0.07 0.42 -2.12 0.00 0.00 175.29 174.18 2irm s ILE 33 N -0.83 4.28 -0.14 1.08 1.01 -0.67 0.23 121.20 126.14 2irm s ILE 33 Ca -0.07 -0.24 -0.29 0.00 0.00 0.00 0.00 60.65 60.05 2irm s ILE 33 Cb -0.06 -3.03 -0.01 0.00 0.01 0.00 0.00 42.46 39.37 2irm s ILE 33 CO -0.00 0.30 1.07 -0.31 0.00 0.00 0.00 174.94 176.00 2irm s TYR 34 N 1.60 3.35 0.11 3.97 2.02 -0.58 -0.80 117.35 127.02 2irm s TYR 34 Ca 0.06 1.44 -0.24 0.00 -0.37 0.00 0.00 57.07 57.96 2irm s TYR 34 Cb -0.15 -3.28 -0.07 0.00 -0.40 0.00 0.00 41.96 38.06 2irm s TYR 34 CO 0.03 -0.61 0.74 0.15 -1.57 0.00 0.00 175.55 174.30 2irm s LYS 35 N 2.55 4.49 0.24 -0.62 -0.14 -0.52 -4.86 119.74 120.88 2irm s LYS 35 Ca 0.49 1.06 -0.05 0.00 -1.36 0.00 0.00 55.97 56.11 2irm s LYS 35 Cb -0.19 -3.30 0.44 0.00 -1.68 0.00 0.00 37.83 33.11 2irm s LYS 35 CO 0.14 0.47 1.74 0.22 -0.76 0.00 0.00 175.35 177.16 2irm h ASP 36 N 4.85 0.30 -0.87 2.83 1.82 -1.96 -1.42 116.42 121.98 2irm h ASP 36 Ca -0.46 0.10 0.11 0.00 -0.39 0.00 0.00 57.03 56.39 2irm h ASP 36 Cb 1.21 0.07 -0.13 0.00 0.68 0.00 0.00 39.33 41.16 2irm h ASP 36 CO 0.67 0.12 -0.40 -0.67 -1.61 0.00 0.00 179.24 177.36 2irm n ASP 37 N -4.99 -0.69 0.00 2.28 2.03 -1.26 -4.88 116.55 109.05 2irm n ASP 37 Ca 0.14 1.52 0.00 0.00 0.52 0.00 0.00 54.79 56.97 2irm n ASP 37 Cb 0.40 -0.29 0.00 0.00 -0.72 0.00 0.00 41.12 40.50 2irm n ASP 37 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2irm n GLY 38 N -1.34 4.15 3.40 0.27 0.00 -0.53 -5.14 105.19 106.01 2irm n GLY 38 Ca 0.06 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.13 2irm n GLY 38 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2irm n ARG 39 N 0.00 -1.48 -4.34 1.61 0.63 -1.26 -4.72 116.66 107.10 2irm n ARG 39 Ca 0.00 -0.40 -0.17 0.00 -0.92 0.00 0.00 57.85 56.36 2irm n ARG 39 Cb 0.00 -1.94 -0.10 0.00 0.45 0.00 0.00 32.46 30.87 2irm n ARG 39 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2irm s ARG 40 N -3.88 1.43 -0.45 -0.14 0.52 -1.26 -1.44 118.95 113.72 2irm s ARG 40 Ca 0.61 -1.76 0.02 0.00 -0.52 0.00 0.00 55.73 54.08 2irm s ARG 40 Cb -0.19 -0.45 0.14 0.00 0.52 0.00 0.00 34.95 34.98 2irm s ARG 40 CO 0.65 -0.23 0.27 0.00 0.02 0.00 0.00 175.30 176.01 2irm s GLU 42 N 0.24 3.81 0.04 0.00 2.02 -1.26 -1.68 118.70 121.88 2irm s GLU 42 Ca 0.20 2.19 -0.01 0.00 0.02 0.00 0.00 54.97 57.37 2irm s GLU 42 Cb -0.20 -2.66 0.01 0.00 0.10 0.00 0.00 34.13 31.38 2irm s GLU 42 CO -0.03 -0.63 0.05 0.41 0.02 0.00 0.00 175.26 175.07 2irm n GLY 43 N 0.64 -1.60 0.97 -1.39 0.00 -0.71 -4.97 105.19 98.13 2irm n GLY 43 Ca 0.05 -1.59 -0.01 0.00 0.00 0.00 0.00 46.02 44.47 2irm n GLY 43 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2irm n TYR 44 N -2.25 0.00 -2.03 1.61 9.36 -1.26 -4.95 117.16 117.63 2irm n TYR 44 Ca 0.01 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.80 2irm n TYR 44 Cb 0.02 -0.04 -0.03 0.00 -0.63 0.00 0.00 39.34 38.66 2irm n TYR 44 CO 0.00 0.00 0.00 -1.83 0.22 0.00 0.00 176.86 175.25 2irm s GLU 45 N -2.07 4.22 0.30 2.98 4.04 -1.26 -5.02 118.70 121.88 2irm s GLU 45 Ca -0.02 2.18 -0.28 0.00 0.04 0.00 0.00 54.97 56.89 2irm s GLU 45 Cb 0.00 -3.71 -0.09 0.00 0.02 0.00 0.00 34.13 30.35 2irm s GLU 45 CO 0.03 -0.73 1.00 0.45 -1.84 0.00 0.00 175.26 174.18 2irm s SER 46 N 2.55 7.32 0.00 0.83 0.15 -1.26 -4.87 113.70 118.41 2irm s SER 46 Ca 0.71 2.02 0.22 0.00 0.70 0.00 0.00 55.95 59.59 2irm s SER 46 Cb -0.35 -2.60 -0.13 0.00 -1.71 0.00 0.00 66.02 61.22 2irm s SER 46 CO 0.30 -0.09 0.94 0.54 1.20 0.00 0.00 173.24 176.12 2irm n ARG 47 N 0.90 0.07 -2.99 5.44 5.12 -1.26 -4.91 116.66 119.03 2irm n ARG 47 Ca 0.00 -0.02 -0.40 0.00 -1.93 0.00 0.00 57.85 55.51 2irm n ARG 47 Cb 0.48 -1.51 -0.04 0.00 -1.16 0.00 0.00 32.46 30.23 2irm n ARG 47 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2irm s ASP 48 N -3.18 7.04 -0.12 0.55 1.01 -1.26 -1.09 116.67 119.63 2irm s ASP 48 Ca 0.07 1.25 0.02 0.00 0.71 0.00 0.00 52.55 54.60 2irm s ASP 48 Cb 0.16 -2.44 -0.01 0.00 1.01 0.00 0.00 42.92 41.64 2irm s ASP 48 CO 0.85 -0.15 -0.18 -0.54 0.21 0.00 0.00 175.17 175.36 2irm s LYS 49 N 0.89 3.23 0.20 8.23 -0.14 0.56 -4.97 119.74 127.75 2irm s LYS 49 Ca 0.40 -0.77 0.11 0.00 -1.36 0.00 0.00 55.97 54.35 2irm s LYS 49 Cb -0.18 -2.49 -0.04 0.00 -1.68 0.00 0.00 37.83 33.44 2irm s LYS 49 CO 0.19 0.21 -0.23 -1.59 -0.76 0.00 0.00 175.35 173.17 2irm s LYS 50 N 0.33 1.57 -0.03 1.68 -2.85 -1.26 0.03 119.74 119.21 2irm s LYS 50 Ca -0.14 -1.53 -0.05 0.00 -1.00 0.00 0.00 55.97 53.26 2irm s LYS 50 Cb -0.17 -1.86 0.01 0.00 -2.06 0.00 0.00 37.83 33.75 2irm s LYS 50 CO 0.07 0.40 0.12 0.00 0.10 0.00 0.00 175.35 176.04 2irm n LEU 52 N 2.58 -0.03 -4.72 0.00 -0.00 -1.24 -1.81 117.00 111.78 2irm n LEU 52 Ca -0.15 -4.60 -0.35 0.00 -0.00 0.00 0.00 56.01 50.90 2irm n LEU 52 Cb 0.58 0.65 -0.08 0.00 -0.00 0.00 0.00 43.42 44.57 2irm n LEU 52 CO 0.22 2.07 -0.24 0.00 -0.00 0.00 0.00 177.39 179.44 2irm s ILE 54 N -0.31 4.38 0.01 0.00 1.09 -1.00 -0.10 121.20 125.27 2irm s ILE 54 Ca 0.09 -0.73 0.11 0.00 -1.10 0.00 0.00 60.65 59.02 2irm s ILE 54 Cb -0.12 -3.35 -0.17 0.00 -1.06 0.00 0.00 42.46 37.76 2irm s ILE 54 CO 0.01 -0.08 1.05 0.77 -0.10 0.00 0.00 174.94 176.59 2irm h SER 55 N 8.35 0.00 -4.89 3.58 4.64 -1.59 -3.38 113.55 120.25 2irm h SER 55 Ca -0.28 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.24 2irm h SER 55 Cb 1.12 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.07 2irm h SER 55 CO 0.63 0.89 0.64 -0.62 -0.87 0.00 0.00 176.83 177.50 2irm s ASP 56 N -6.38 -0.21 0.22 4.97 2.15 -0.88 -4.97 116.67 111.57 2irm s ASP 56 Ca -0.01 -0.11 0.01 0.00 0.43 0.00 0.00 52.55 52.86 2irm s ASP 56 Cb 0.09 0.30 0.52 0.00 -0.30 0.00 0.00 42.92 43.53 2irm s ASP 56 CO 0.81 -0.52 1.11 0.59 -0.17 0.00 0.00 175.17 176.99 2irm n ASN 57 N -0.30 -0.10 -0.09 -0.34 3.02 -1.26 -2.25 115.26 113.93 2irm n ASN 57 Ca -0.06 1.21 -0.19 0.00 -0.03 0.00 0.00 54.58 55.52 2irm n ASN 57 Cb 0.61 -0.43 -0.11 0.00 -0.61 0.00 0.00 39.78 39.23 2irm n ASN 57 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 2irm h ASN 58 N 0.00 0.00 -3.34 6.41 2.35 -1.96 -3.48 115.58 115.56 2irm h ASN 58 Ca 0.42 -0.59 -0.57 0.00 -0.55 0.00 0.00 56.30 55.01 2irm h ASN 58 Cb 0.85 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.16 2irm h ASN 58 CO -0.68 1.31 -0.00 -0.89 -1.65 0.00 0.00 177.43 175.53 2irm s THR 59 N -2.31 5.03 0.01 2.81 2.01 -0.96 -2.99 115.64 119.26 2irm s THR 59 Ca -0.25 1.26 -0.14 0.00 0.31 0.00 0.00 61.69 62.87 2irm s THR 59 Cb 0.03 -3.95 0.02 0.00 0.01 0.00 0.00 72.50 68.61 2irm s THR 59 CO 0.58 0.33 0.30 -0.94 -0.69 0.00 0.00 174.62 174.20 2irm s SER 60 N 0.42 -0.15 -0.06 3.53 1.04 -0.95 -1.51 113.70 116.03 2irm s SER 60 Ca 0.32 -0.05 0.04 0.00 0.48 0.00 0.00 55.95 56.74 2irm s SER 60 Cb -0.17 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.27 2irm s SER 60 CO 0.16 -0.51 -0.17 -0.22 0.98 0.00 0.00 173.24 173.47 2irm s LEU 61 N -1.65 1.88 -0.12 2.42 0.20 0.86 -1.79 118.68 120.48 2irm s LEU 61 Ca -0.10 -0.37 0.01 0.00 0.69 0.00 0.00 54.13 54.36 2irm s LEU 61 Cb -0.03 -1.00 0.02 0.00 -0.43 0.00 0.00 46.19 44.74 2irm s LEU 61 CO 0.01 0.13 -0.15 -0.31 -0.29 0.00 0.00 176.35 175.74 2irm s TYR 62 N 0.21 2.04 -0.10 5.38 2.02 0.55 -0.31 117.35 127.14 2irm s TYR 62 Ca -0.08 -1.03 -0.12 0.00 -0.37 0.00 0.00 57.07 55.47 2irm s TYR 62 Cb -0.13 -1.48 0.03 0.00 -0.40 0.00 0.00 41.96 39.97 2irm s TYR 62 CO 0.03 -0.55 0.33 0.00 -1.57 0.00 0.00 175.55 173.79 2irm s ALA 63 N 1.18 -0.81 -0.07 3.71 0.00 -0.75 0.73 121.76 125.75 2irm s ALA 63 Ca -0.02 0.80 0.03 0.00 0.00 0.00 0.00 51.96 52.77 2irm s ALA 63 Cb -0.14 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.57 2irm s ALA 63 CO -0.05 -0.18 -0.16 0.42 0.00 0.00 0.00 175.76 175.79 2irm s ILE 64 N -0.14 1.44 -0.21 0.00 1.01 -0.17 -1.32 121.20 121.81 2irm s ILE 64 Ca -0.03 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 59.97 2irm s ILE 64 Cb -0.03 -1.27 0.04 0.00 0.01 0.00 0.00 42.46 41.21 2irm s ILE 64 CO 0.01 0.42 -0.16 -0.76 0.00 0.00 0.00 174.94 174.45 2irm s LEU 65 N 0.43 2.65 -0.41 2.97 1.02 0.10 -0.46 118.68 124.98 2irm s LEU 65 Ca -0.13 -0.94 -0.17 0.00 0.02 0.00 0.00 54.13 52.91 2irm s LEU 65 Cb -0.15 -1.51 0.02 0.00 0.02 0.00 0.00 46.19 44.57 2irm s LEU 65 CO 0.05 -0.08 0.40 -0.44 0.02 0.00 0.00 176.35 176.30 2irm s SER 66 N 1.22 6.18 0.22 2.29 0.01 -0.21 -0.32 113.70 123.08 2irm s SER 66 Ca -0.01 -0.65 -0.30 0.00 1.31 0.00 0.00 55.95 56.31 2irm s SER 66 Cb -0.16 -2.21 -0.08 0.00 0.21 0.00 0.00 66.02 63.78 2irm s SER 66 CO -0.10 -0.52 1.10 -0.83 0.41 0.00 0.00 173.24 173.30 2irm s GLY 67 N 1.78 2.91 -0.19 3.44 0.00 -0.25 -0.89 107.32 114.12 2irm s GLY 67 Ca 0.11 0.85 -0.04 0.00 0.00 0.00 0.00 44.72 45.64 2irm s GLY 67 CO 0.13 1.61 -0.03 0.30 0.00 0.00 0.00 173.10 175.10 2irm s HIS 68 N -0.57 2.99 0.00 1.90 3.76 0.87 -4.57 115.29 119.67 2irm s HIS 68 Ca 0.48 -0.59 0.00 0.00 -0.15 0.00 0.00 55.06 54.79 2irm s HIS 68 Cb -0.30 -2.05 0.00 0.00 1.11 0.00 0.00 32.58 31.34 2irm s HIS 68 CO 0.37 -0.30 0.00 0.09 -0.85 0.00 0.00 174.74 174.05 2irm n ASN 69 N 4.23 -1.96 -3.64 1.40 3.02 -1.26 -2.53 115.26 114.52 2irm n ASN 69 Ca -0.18 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.35 2irm n ASN 69 Cb 0.52 -2.82 -0.02 0.00 -0.61 0.00 0.00 39.78 36.84 2irm n ASN 69 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2irm s GLY 70 N -2.00 -0.18 -0.08 7.41 0.00 -1.26 -4.82 107.32 106.39 2irm s GLY 70 Ca 0.00 1.98 0.21 0.00 0.00 0.00 0.00 44.72 46.90 2irm s GLY 70 CO 0.00 0.67 0.35 1.55 0.00 0.00 0.00 173.10 175.68 2irm n VAL 71 N 0.03 0.42 -0.23 1.40 3.14 -1.26 -4.44 118.33 117.39 2irm n VAL 71 Ca 0.05 -0.61 -0.07 0.00 -2.96 0.00 0.00 64.34 60.75 2irm n VAL 71 Cb 0.57 -0.14 -0.02 0.00 -1.06 0.00 0.00 33.84 33.19 2irm n VAL 71 CO 0.00 0.00 0.00 0.74 -6.46 0.00 0.00 176.83 171.11 2irm h THR 72 N 0.00 0.09 -0.53 1.55 2.02 -1.96 -1.12 112.91 112.96 2irm h THR 72 Ca -0.17 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.95 2irm h THR 72 Cb 1.37 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 2irm h THR 72 CO 0.01 0.00 0.08 0.58 0.37 0.00 0.00 175.52 176.56 2irm h VAL 73 N -0.18 1.25 -0.26 3.16 2.07 -1.86 -1.81 116.25 118.64 2irm h VAL 73 Ca 0.21 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 2irm h VAL 73 Cb 0.56 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2irm h VAL 73 CO -0.73 0.35 0.07 0.00 0.02 0.00 0.00 177.57 177.27 2irm h ALA 74 N 0.98 0.34 -0.01 1.67 0.00 -1.71 0.16 119.26 120.68 2irm h ALA 74 Ca 0.16 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2irm h ALA 74 Cb 0.42 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2irm h ALA 74 CO 0.01 -0.01 -0.25 0.93 0.00 0.00 0.00 179.25 179.92 2irm h GLU 75 N 0.24 -0.30 -0.95 0.00 5.08 -1.12 -1.88 114.58 115.65 2irm h GLU 75 Ca 0.08 0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.62 2irm h GLU 75 Cb 0.27 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.51 2irm h GLU 75 CO 0.00 -0.20 0.60 -0.91 -1.00 0.00 0.00 179.01 177.50 2irm h ASN 76 N -0.31 0.71 -0.37 1.42 2.35 -1.25 -2.29 115.58 115.85 2irm h ASN 76 Ca 0.01 0.06 -0.13 0.00 -0.55 0.00 0.00 56.30 55.68 2irm h ASN 76 Cb 0.34 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 2irm h ASN 76 CO -0.18 0.33 -0.29 0.00 -1.65 0.00 0.00 177.43 175.65 2irm h ALA 77 N 1.60 0.53 -0.11 -0.83 0.00 -0.79 -2.54 119.26 117.12 2irm h ALA 77 Ca 0.49 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2irm h ALA 77 Cb 0.78 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2irm h ALA 77 CO -0.26 0.56 0.00 1.25 0.00 0.00 0.00 179.25 180.80 2irm h LEU 78 N 0.64 0.18 -0.96 0.00 6.46 -0.79 -1.86 115.31 118.98 2irm h LEU 78 Ca 0.07 -0.30 0.10 0.00 -0.12 0.00 0.00 57.88 57.62 2irm h LEU 78 Cb 0.86 -0.05 -0.08 0.00 -0.73 0.00 0.00 40.66 40.67 2irm h LEU 78 CO 0.08 0.44 0.60 1.56 -0.62 0.00 0.00 178.44 180.50 2irm h GLN 79 N -0.08 0.98 -0.08 1.25 1.08 -1.50 -1.27 115.11 115.50 2irm h GLN 79 Ca 0.03 -0.06 -0.24 0.00 -1.45 0.00 0.00 58.65 56.93 2irm h GLN 79 Cb 0.35 -0.22 0.02 0.00 -0.05 0.00 0.00 27.48 27.57 2irm h GLN 79 CO 0.00 0.65 -0.91 1.49 -0.95 0.00 0.00 178.83 179.12 2irm h GLU 80 N 1.01 0.75 -0.12 1.46 4.81 -1.36 -2.44 114.58 118.70 2irm h GLU 80 Ca 0.45 -0.70 -0.18 0.00 -0.13 0.00 0.00 59.36 58.80 2irm h GLU 80 Cb 0.35 0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 2irm h GLU 80 CO -0.23 1.29 -0.68 0.52 -0.73 0.00 0.00 179.01 179.18 2irm h MET 81 N 0.46 0.49 -0.76 1.92 2.86 -1.03 0.41 114.93 119.28 2irm h MET 81 Ca -0.09 -0.37 -0.01 0.00 -2.06 0.00 0.00 59.70 57.17 2irm h MET 81 Cb 1.55 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 33.24 2irm h MET 81 CO 0.18 1.00 0.45 0.00 1.06 0.00 0.00 176.91 179.60 2irm h ALA 82 N 0.91 0.97 -0.01 6.32 0.00 -1.29 -1.76 119.26 124.39 2irm h ALA 82 Ca -0.02 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 2irm h ALA 82 Cb 1.25 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2irm h ALA 82 CO 0.12 0.45 -0.52 0.00 0.00 0.00 0.00 179.25 179.30 2irm h ALA 83 N 1.24 1.11 0.00 0.00 0.00 -1.05 -1.91 119.26 118.65 2irm h ALA 83 Ca 0.27 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2irm h ALA 83 Cb -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2irm h ALA 83 CO -0.05 0.66 -0.47 0.93 0.00 0.00 0.00 179.25 180.32 2irm h GLU 84 N 0.03 0.00 -1.04 0.00 5.08 -0.64 -3.41 114.58 114.60 2irm h GLU 84 Ca -0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.99 2irm h GLU 84 Cb 0.94 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 29.91 2irm h GLU 84 CO 0.07 0.00 -0.83 1.47 -1.00 0.00 0.00 179.01 178.72 2irm n LEU 85 N -2.46 -0.80 0.00 1.33 -0.00 -0.69 -4.76 117.00 109.61 2irm n LEU 85 Ca 0.03 -4.32 0.00 0.00 -0.00 0.00 0.00 56.01 51.72 2irm n LEU 85 Cb 0.48 0.81 0.00 0.00 -0.00 0.00 0.00 43.42 44.71 2irm n LEU 85 CO 0.36 2.16 0.00 0.18 -0.00 0.00 0.00 177.39 180.09 2irm n LEU 86 N 0.52 0.00 -3.57 1.47 4.77 -0.73 -4.85 117.00 114.61 2irm n LEU 86 Ca 0.16 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.85 2irm n LEU 86 Cb 0.66 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.64 2irm n LEU 86 CO 0.13 0.00 -0.26 -1.48 -1.33 0.00 0.00 177.39 174.44 2irm s LEU 87 N -0.60 2.08 -0.40 2.23 2.34 -1.26 -4.70 118.68 118.38 2irm s LEU 87 Ca 0.00 -2.77 0.03 0.00 0.06 0.00 0.00 54.13 51.45 2irm s LEU 87 Cb 0.00 -0.75 0.11 0.00 -0.56 0.00 0.00 46.19 44.99 2irm s LEU 87 CO 0.00 -0.23 0.13 -0.83 -1.06 0.00 0.00 176.35 174.36 2irm s GLY 88 N 0.27 1.95 -0.01 -3.48 0.00 -1.26 -5.04 107.32 99.75 2irm s GLY 88 Ca 0.23 -2.65 0.07 0.00 0.00 0.00 0.00 44.72 42.37 2irm s GLY 88 CO -0.07 1.09 1.13 -1.06 0.00 0.00 0.00 173.10 174.19 2irm n GLN 89 N 3.94 1.63 -0.02 2.90 3.00 -1.26 -4.05 117.38 123.52 2irm n GLN 89 Ca 0.04 -0.86 0.00 0.00 -0.01 0.00 0.00 57.00 56.17 2irm n GLN 89 Cb 0.39 -1.26 -0.13 0.00 0.00 0.00 0.00 30.24 29.24 2irm n GLN 89 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2irm n LEU 90 N 0.18 0.33 0.00 1.08 4.77 -1.26 -4.15 117.00 117.95 2irm n LEU 90 Ca 0.08 0.14 0.13 0.00 -0.03 0.00 0.00 56.01 56.34 2irm n LEU 90 Cb 0.24 0.19 0.66 0.00 -2.33 0.00 0.00 43.42 42.18 2irm n LEU 90 CO 0.06 0.21 0.96 -0.46 -1.33 0.00 0.00 177.39 176.82 2irm n ASN 91 N -2.65 0.00 0.00 -1.43 0.23 -1.26 -2.89 115.26 107.26 2irm n ASN 91 Ca -0.15 0.10 0.12 0.00 -0.53 0.00 0.00 54.58 54.12 2irm n ASN 91 Cb 0.85 -0.36 0.34 0.00 -2.08 0.00 0.00 39.78 38.53 2irm n ASN 91 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 2irm n VAL 92 N -1.36 0.00 -4.39 3.53 3.14 -1.26 -4.83 118.33 113.17 2irm n VAL 92 Ca 0.11 -0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.19 2irm n VAL 92 Cb 0.25 0.07 -0.17 0.00 -1.06 0.00 0.00 33.84 32.94 2irm n VAL 92 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2irm n ASN 94 N 4.31 0.00 -4.60 0.00 4.13 -1.26 -4.82 115.26 113.02 2irm n ASN 94 Ca -0.19 0.28 -0.42 0.00 1.68 0.00 0.00 54.58 55.94 2irm n ASN 94 Cb 0.51 -0.42 0.01 0.00 -1.54 0.00 0.00 39.78 38.34 2irm n ASN 94 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 2irm n THR 95 N -1.94 2.37 -0.34 3.41 5.66 -1.26 -4.81 114.28 117.36 2irm n THR 95 Ca 0.00 -0.50 0.10 0.00 -3.05 0.00 0.00 64.05 60.60 2irm n THR 95 Cb 0.00 -1.09 0.29 0.00 -1.55 0.00 0.00 70.33 67.98 2irm n THR 95 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 2irm h ASP 96 N 1.50 0.83 -0.87 1.09 3.45 -1.95 -1.60 116.42 118.86 2irm h ASP 96 Ca -0.44 0.06 0.05 0.00 0.43 0.00 0.00 57.03 57.13 2irm h ASP 96 Cb 1.34 -0.10 -0.06 0.00 -0.56 0.00 0.00 39.33 39.96 2irm h ASP 96 CO 0.57 0.40 0.55 -0.33 -1.57 0.00 0.00 179.24 178.85 2irm h GLU 97 N 0.87 1.01 -0.43 3.56 3.07 -1.93 0.39 114.58 121.11 2irm h GLU 97 Ca 0.52 -0.06 -0.12 0.00 -0.50 0.00 0.00 59.36 59.20 2irm h GLU 97 Cb 0.67 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 2irm h GLU 97 CO -0.29 0.67 -0.18 0.00 -1.40 0.00 0.00 179.01 177.81 2irm h ALA 98 N 1.39 0.61 -0.69 3.43 0.00 -1.66 -0.59 119.26 121.75 2irm h ALA 98 Ca 0.36 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2irm h ALA 98 Cb 0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2irm h ALA 98 CO -0.15 0.56 0.14 0.28 0.00 0.00 0.00 179.25 180.08 2irm h VAL 99 N 0.72 1.26 0.00 0.00 2.07 -1.02 0.02 116.25 119.30 2irm h VAL 99 Ca 0.10 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.62 2irm h VAL 99 Cb 0.74 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2irm h VAL 99 CO 0.06 0.38 -0.00 0.11 0.02 0.00 0.00 177.57 178.14 2irm h LYS 100 N 1.05 -0.00 -0.67 1.57 1.57 -0.84 -2.13 116.57 117.11 2irm h LYS 100 Ca 0.21 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 59.09 2irm h LYS 100 Cb 0.40 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.67 2irm h LYS 100 CO 0.01 0.01 0.45 1.49 -0.57 0.00 0.00 179.45 180.83 2irm h GLU 101 N -0.01 0.51 0.11 3.15 4.57 -0.83 0.94 114.58 123.03 2irm h GLU 101 Ca -0.00 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 2irm h GLU 101 Cb 0.01 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.49 2irm h GLU 101 CO 0.00 0.34 -0.05 1.25 -1.18 0.00 0.00 179.01 179.36 2irm h LEU 102 N 0.52 -0.13 -0.82 1.64 6.46 -0.52 -0.48 115.31 121.98 2irm h LEU 102 Ca 0.31 -0.06 -0.11 0.00 -0.12 0.00 0.00 57.88 57.90 2irm h LEU 102 Cb 0.52 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 2irm h LEU 102 CO -0.10 -0.02 -0.26 0.16 -0.62 0.00 0.00 178.44 177.60 2irm h ILE 103 N -0.23 1.27 -0.49 4.05 3.07 -0.73 -2.30 117.51 122.16 2irm h ILE 103 Ca -0.02 -1.32 0.02 0.00 1.55 0.00 0.00 64.86 65.09 2irm h ILE 103 Cb 0.18 1.32 -0.03 0.00 -0.27 0.00 0.00 36.82 38.02 2irm h ILE 103 CO 0.03 0.43 0.30 -0.09 -1.05 0.00 0.00 178.15 177.76 2irm h ARG 104 N 0.52 0.58 -0.38 0.16 1.12 -0.70 -1.80 114.38 113.88 2irm h ARG 104 Ca 0.07 -0.04 -0.04 0.00 -1.11 0.00 0.00 59.98 58.87 2irm h ARG 104 Cb 0.72 -0.13 -0.02 0.00 -0.01 0.00 0.00 29.97 30.52 2irm h ARG 104 CO 0.05 0.39 0.08 1.96 -3.11 0.00 0.00 179.97 179.34 2irm h GLN 105 N 0.60 0.57 -0.38 0.20 1.08 -0.98 -2.44 115.11 113.76 2irm h GLN 105 Ca 0.19 -0.10 -0.09 0.00 -1.45 0.00 0.00 58.65 57.20 2irm h GLN 105 Cb -0.00 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.32 2irm h GLN 105 CO -0.08 0.54 -0.13 1.03 -0.95 0.00 0.00 178.83 179.23 2irm h SER 106 N 0.56 0.66 -0.30 1.46 0.87 -0.75 -1.81 113.55 114.23 2irm h SER 106 Ca 0.13 -0.20 -0.08 0.00 -1.23 0.00 0.00 61.79 60.41 2irm h SER 106 Cb 0.24 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 2irm h SER 106 CO -0.00 0.82 -0.13 -0.26 -0.53 0.00 0.00 176.83 176.73 2irm h PHE 107 N 0.61 0.72 -0.94 2.24 -1.00 -1.34 -2.84 116.94 114.39 2irm h PHE 107 Ca 0.10 -0.17 0.06 0.00 2.81 0.00 0.00 57.97 60.77 2irm h PHE 107 Cb 0.58 -0.17 -0.07 0.00 3.61 0.00 0.00 35.95 39.91 2irm h PHE 107 CO 0.03 0.85 0.60 0.52 -1.61 0.00 0.00 178.31 178.69 2irm h MET 108 N 0.39 1.06 -0.01 1.51 2.86 -0.92 -1.53 114.93 118.29 2irm h MET 108 Ca 0.07 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2irm h MET 108 Cb 0.65 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 32.07 2irm h MET 108 CO 0.04 0.70 -0.43 -1.13 1.06 0.00 0.00 176.91 177.15 2irm n SER 109 N -4.55 1.00 0.10 1.22 3.41 -0.73 -1.21 113.62 112.85 2irm n SER 109 Ca 0.14 -0.79 -0.15 0.00 -0.26 0.00 0.00 58.87 57.81 2irm n SER 109 Cb 0.18 0.30 -0.13 0.00 -0.26 0.00 0.00 64.21 64.30 2irm n SER 109 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2irm h VAL 110 N 0.89 1.51 0.02 -3.33 2.07 -1.07 -2.78 116.25 113.55 2irm h VAL 110 Ca 0.00 -3.07 -0.20 0.00 0.82 0.00 0.00 66.70 64.25 2irm h VAL 110 Cb 0.54 2.92 0.02 0.00 -1.52 0.00 0.00 31.29 33.25 2irm h VAL 110 CO 0.00 0.89 -0.80 -0.08 0.02 0.00 0.00 177.57 177.60 2irm h GLU 111 N 0.07 0.51 -0.97 1.57 4.57 -1.25 -2.35 114.58 116.74 2irm h GLU 111 Ca -0.13 -0.58 0.12 0.00 -1.18 0.00 0.00 59.36 57.60 2irm h GLU 111 Cb 1.95 0.17 -0.08 0.00 -0.16 0.00 0.00 28.75 30.63 2irm h GLU 111 CO 0.20 1.21 0.62 -0.22 -1.18 0.00 0.00 179.01 179.63 2irm h LYS 112 N 0.07 0.91 -0.20 1.92 1.63 -1.26 -1.75 116.57 117.88 2irm h LYS 112 Ca -0.11 -0.05 -0.16 0.00 -0.85 0.00 0.00 60.65 59.48 2irm h LYS 112 Cb 1.50 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 32.92 2irm h LYS 112 CO 0.16 0.60 -0.54 0.78 -3.45 0.00 0.00 179.45 177.00 2irm h GLY 113 N 0.94 0.65 0.93 5.01 0.00 -1.46 -2.10 103.07 107.05 2irm h GLY 113 Ca 0.48 -0.76 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 2irm h GLY 113 CO -0.24 0.68 -0.13 -1.82 0.00 0.00 0.00 176.54 175.03 2irm h TYR 114 N 0.46 -0.33 0.00 5.60 5.03 -0.81 -1.96 116.97 124.97 2irm h TYR 114 Ca 0.01 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.32 2irm h TYR 114 Cb 1.09 0.12 -0.00 0.00 1.55 0.00 0.00 36.73 39.49 2irm h TYR 114 CO 0.05 -0.20 -0.00 0.74 -1.32 0.00 0.00 178.16 177.43 2irm h PHE 115 N -0.32 0.00 0.01 -3.82 0.04 -1.22 -0.34 116.94 111.30 2irm h PHE 115 Ca -0.02 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.56 2irm h PHE 115 Cb 0.27 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.40 2irm h PHE 115 CO -0.09 0.00 -0.88 -0.44 -0.60 0.00 0.00 178.31 176.30 2irm h ASP 116 N 0.00 0.19 0.27 2.17 5.19 -1.33 -3.01 116.42 119.91 2irm h ASP 116 Ca -0.00 -0.16 -0.01 0.00 -0.62 0.00 0.00 57.03 56.24 2irm h ASP 116 Cb 0.61 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.06 2irm h ASP 116 CO 0.00 0.98 -0.13 -1.28 -3.12 0.00 0.00 179.24 175.69 2irm h SER 117 N 0.08 -0.31 0.80 6.45 0.87 -0.31 -3.28 113.55 117.84 2irm h SER 117 Ca -0.04 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 2irm h SER 117 Cb 1.52 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.56 2irm h SER 117 CO 0.13 0.17 0.00 2.30 -0.53 0.00 0.00 176.83 178.90 2irm n ILE 118 N -5.04 0.76 -0.34 2.23 -5.35 -0.46 -4.26 119.36 106.90 2irm n ILE 118 Ca -0.08 0.14 -0.08 0.00 -0.27 0.00 0.00 62.75 62.46 2irm n ILE 118 Cb 0.26 -0.97 -0.07 0.00 -1.74 0.00 0.00 39.64 37.13 2irm n ILE 118 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2irm n ASN 119 N -1.95 -0.83 -0.05 7.28 5.15 -1.14 0.05 115.26 123.78 2irm n ASN 119 Ca 0.03 1.47 -0.02 0.00 -0.60 0.00 0.00 54.58 55.46 2irm n ASN 119 Cb 0.25 -0.21 0.22 0.00 -0.53 0.00 0.00 39.78 39.51 2irm n ASN 119 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2irm h PRO 120 N 0.00 0.65 -0.59 1.20 0.13 -1.83 -3.09 132.00 128.46 2irm h PRO 120 Ca 0.16 -0.16 0.10 0.00 -0.87 0.00 0.00 66.00 65.22 2irm h PRO 120 Cb 0.36 -0.08 -0.08 0.00 0.13 0.00 0.00 31.00 31.33 2irm h PRO 120 CO -0.78 0.68 0.18 0.45 -0.23 0.00 0.00 178.00 178.30 2irm h HIS 121 N 0.61 0.30 -0.73 1.56 3.86 -0.64 0.23 115.15 120.34 2irm h HIS 121 Ca 0.12 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.31 2irm h HIS 121 Cb 0.41 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.81 2irm h HIS 121 CO 0.02 0.04 0.26 -0.39 0.86 0.00 0.00 177.93 178.72 2irm h VAL 122 N 0.33 1.26 0.00 2.45 -1.51 -1.40 -0.53 116.25 116.85 2irm h VAL 122 Ca 0.30 -0.84 -0.00 0.00 -1.23 0.00 0.00 66.70 64.93 2irm h VAL 122 Cb 0.41 0.43 -0.00 0.00 -2.13 0.00 0.00 31.29 30.00 2irm h VAL 122 CO -0.34 0.34 -0.01 0.00 -1.23 0.00 0.00 177.57 176.32 2irm h ALA 123 N 1.13 1.01 0.13 5.19 0.00 -1.01 0.11 119.26 125.82 2irm h ALA 123 Ca 0.24 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.90 2irm h ALA 123 Cb 0.26 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.05 2irm h ALA 123 CO -0.01 0.01 -1.16 1.15 0.00 0.00 0.00 179.25 179.24 2irm h THR 124 N 0.00 1.25 0.68 0.00 2.02 -0.02 -2.81 112.91 114.04 2irm h THR 124 Ca -0.00 -2.48 -0.03 0.00 0.77 0.00 0.00 66.41 64.68 2irm h THR 124 Cb 0.41 2.94 -0.01 0.00 -1.74 0.00 0.00 68.15 69.75 2irm h THR 124 CO 0.00 0.71 -0.46 0.50 0.37 0.00 0.00 175.52 176.64 2irm h LYS 125 N -0.31 -1.05 -0.49 6.66 3.64 -0.36 -2.19 116.57 122.46 2irm h LYS 125 Ca -0.23 0.07 0.10 0.00 -1.27 0.00 0.00 60.65 59.32 2irm h LYS 125 Cb 1.73 0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 33.76 2irm h LYS 125 CO 0.11 -0.70 0.34 0.00 -2.27 0.00 0.00 179.45 176.93 2irm h THR 126 N -1.09 0.87 -0.27 1.00 1.03 -0.98 0.27 112.91 113.74 2irm h THR 126 Ca -0.09 -0.08 0.00 0.00 -0.01 0.00 0.00 66.41 66.23 2irm h THR 126 Cb 0.89 0.60 -0.01 0.00 -1.07 0.00 0.00 68.15 68.56 2irm h THR 126 CO 0.06 0.04 0.18 0.00 -0.01 0.00 0.00 175.52 175.79 2irm h ALA 127 N 1.75 0.35 0.00 0.00 0.00 -1.19 0.24 119.26 120.41 2irm h ALA 127 Ca 0.23 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.94 2irm h ALA 127 Cb 0.58 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2irm h ALA 127 CO -0.05 -0.17 -0.84 -0.84 0.00 0.00 0.00 179.25 177.35 2irm h ILE 128 N 0.36 1.48 0.00 0.00 -0.00 -0.68 -3.10 117.51 115.57 2irm h ILE 128 Ca 0.10 -3.01 -0.10 0.00 -0.00 0.00 0.00 64.86 61.85 2irm h ILE 128 Cb -0.03 2.68 -0.01 0.00 -0.00 0.00 0.00 36.82 39.46 2irm h ILE 128 CO -0.02 0.82 -0.47 -0.61 -0.00 0.00 0.00 178.15 177.88 2irm h GLN 129 N 0.00 0.00 -0.43 0.16 4.15 -0.86 -2.89 115.11 115.23 2irm h GLN 129 Ca -0.01 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.27 2irm h GLN 129 Cb 1.61 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.29 2irm h GLN 129 CO 0.11 0.47 -0.29 1.25 -1.93 0.00 0.00 178.83 178.43 2irm h LEU 130 N 0.00 0.99 -4.41 -2.39 6.46 -0.90 -3.13 115.31 111.94 2irm h LEU 130 Ca -0.00 -0.41 -0.38 0.00 -0.12 0.00 0.00 57.88 56.97 2irm h LEU 130 Cb 1.05 -0.28 -0.07 0.00 -0.73 0.00 0.00 40.66 40.63 2irm h LEU 130 CO 0.06 1.20 0.82 1.41 -0.62 0.00 0.00 178.44 181.31 2irm n HIS 131 N -4.09 0.95 0.00 1.25 8.25 -1.09 -3.06 115.22 117.43 2irm n HIS 131 Ca -0.01 -2.00 0.00 0.00 -0.26 0.00 0.00 57.72 55.46 2irm n HIS 131 Cb 0.50 -1.77 0.00 0.00 1.12 0.00 0.00 29.99 29.84 2irm n HIS 131 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2irm n LEU 132 N 2.40 0.00 -0.71 2.41 7.94 -1.18 -5.01 117.00 122.86 2irm n LEU 132 Ca 0.53 0.00 0.08 0.00 -1.11 0.00 0.00 56.01 55.51 2irm n LEU 132 Cb 0.67 0.00 0.22 0.00 0.53 0.00 0.00 43.42 44.84 2irm n LEU 132 CO 0.35 0.00 0.67 -1.20 -1.11 0.00 0.00 177.39 176.10 2irm n SER 133 N -0.43 3.36 -0.42 1.96 7.64 -1.17 -5.15 113.62 119.41 2irm n SER 133 Ca 0.00 -3.11 0.10 0.00 1.01 0.00 0.00 58.87 56.86 2irm n SER 133 Cb 0.00 -0.52 -0.01 0.00 -1.01 0.00 0.00 64.21 62.67 2irm n SER 133 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2irm n VAL 149 N -0.80 0.00 -0.04 0.44 0.31 -1.26 -5.05 118.33 111.92 2irm n VAL 149 Ca 0.21 -0.29 -0.08 0.00 -0.01 0.00 0.00 64.34 64.17 2irm n VAL 149 Cb 0.84 1.22 -0.07 0.00 -0.91 0.00 0.00 33.84 34.92 2irm n VAL 149 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2irm h LEU 150 N 2.07 -0.03 0.00 7.52 3.38 -2.08 -3.46 115.31 122.71 2irm h LEU 150 Ca 0.00 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2irm h LEU 150 Cb 0.65 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2irm h LEU 150 CO 0.00 0.71 0.00 0.00 0.09 0.00 0.00 178.44 179.24 2irm n GLN 151 N -4.72 0.00 -0.13 1.13 6.02 -1.26 -4.49 117.38 113.93 2irm n GLN 151 Ca -0.06 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 56.99 2irm n GLN 151 Cb 0.26 -0.21 0.38 0.00 1.02 0.00 0.00 30.24 31.70 2irm n GLN 151 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 2irm h LYS 152 N 0.00 0.66 0.00 -1.09 3.64 -2.04 -1.99 116.57 115.76 2irm h LYS 152 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2irm h LYS 152 Cb 0.00 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 2irm h LYS 152 CO 0.00 0.44 0.00 1.28 -2.27 0.00 0.00 179.45 178.90 2irm n LEU 153 N -4.47 0.06 -0.07 5.20 4.77 -1.26 -0.64 117.00 120.59 2irm n LEU 153 Ca 0.09 0.53 -0.05 0.00 -0.03 0.00 0.00 56.01 56.54 2irm n LEU 153 Cb 0.20 -0.53 0.15 0.00 -2.33 0.00 0.00 43.42 40.91 2irm n LEU 153 CO 0.34 -0.54 0.79 -0.78 -1.33 0.00 0.00 177.39 175.87 2irm h ASP 154 N 0.00 0.69 0.01 -1.43 3.58 -1.74 0.64 116.42 118.17 2irm h ASP 154 Ca 0.00 -0.21 -0.00 0.00 0.42 0.00 0.00 57.03 57.24 2irm h ASP 154 Cb 0.01 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 40.87 2irm h ASP 154 CO 0.00 0.84 -0.01 0.28 -2.88 0.00 0.00 179.24 177.48 2irm h SER 155 N 0.63 -0.01 -0.91 2.28 0.02 -1.09 -2.59 113.55 111.88 2irm h SER 155 Ca 0.11 -0.29 0.13 0.00 -0.84 0.00 0.00 61.79 60.90 2irm h SER 155 Cb 0.59 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.04 2irm h SER 155 CO 0.04 0.29 0.53 -0.07 -1.14 0.00 0.00 176.83 176.47 2irm h LEU 156 N -0.31 0.72 -2.11 5.07 -0.00 -1.49 -0.62 115.31 116.56 2irm h LEU 156 Ca -0.00 0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.95 2irm h LEU 156 Cb 0.30 -0.06 -0.00 0.00 -0.00 0.00 0.00 40.66 40.90 2irm h LEU 156 CO 0.00 0.34 0.00 -1.13 -0.00 0.00 0.00 178.44 177.66 2irm h ASN 157 N 0.79 0.00 0.00 -0.43 -0.73 0.46 -1.35 115.58 114.32 2irm h ASN 157 Ca 0.48 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.62 2irm h ASN 157 Cb 0.58 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.16 2irm h ASN 157 CO -0.31 0.00 -0.05 0.59 -0.37 0.00 0.00 177.43 177.29 2irm n ASN 158 N -4.37 5.14 0.11 1.15 5.03 -0.24 -3.51 115.26 118.57 2irm n ASN 158 Ca -0.03 -2.37 0.13 0.00 0.87 0.00 0.00 54.58 53.18 2irm n ASN 158 Cb 0.09 -1.13 0.42 0.00 -1.02 0.00 0.00 39.78 38.14 2irm n ASN 158 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2irm n ALA 159 N 1.67 2.20 0.58 5.41 0.00 -0.51 -3.63 120.51 126.23 2irm n ALA 159 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2irm n ALA 159 Cb 0.54 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.53 2irm n ALA 159 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2irm n LEU 160 N -2.27 0.93 -0.52 0.00 -0.00 -1.23 -1.60 117.00 112.31 2irm n LEU 160 Ca 0.05 -0.47 0.12 0.00 -0.00 0.00 0.00 56.01 55.72 2irm n LEU 160 Cb 0.41 -0.29 0.24 0.00 -0.00 0.00 0.00 43.42 43.78 2irm n LEU 160 CO 0.29 0.19 0.60 -1.54 -0.00 0.00 0.00 177.39 176.93 2irm n SER 161 N 0.37 1.85 -4.72 1.45 3.41 -1.24 -2.03 113.62 112.70 2irm n SER 161 Ca 0.00 -1.44 -0.42 0.00 -0.26 0.00 0.00 58.87 56.75 2irm n SER 161 Cb 0.19 0.17 -0.03 0.00 -0.26 0.00 0.00 64.21 64.28 2irm n SER 161 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2irm s VAL 162 N -2.27 4.18 0.00 -3.33 1.01 -0.63 -4.65 120.40 114.71 2irm s VAL 162 Ca 0.27 1.63 0.00 0.00 0.00 0.00 0.00 61.98 63.88 2irm s VAL 162 Cb 0.19 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.53 2irm s VAL 162 CO 0.45 0.17 0.00 0.61 0.00 0.00 0.00 175.10 176.32 2irm n GLY 163 N 2.85 2.81 3.41 4.51 0.00 -1.05 -1.76 105.19 115.96 2irm n GLY 163 Ca 0.07 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 2irm n GLY 163 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2irm s SER 164 N 0.02 -0.62 0.73 1.61 0.15 -0.36 -0.09 113.70 115.14 2irm s SER 164 Ca 0.00 1.08 -0.11 0.00 0.70 0.00 0.00 55.95 57.62 2irm s SER 164 Cb 0.00 1.01 0.03 0.00 -1.71 0.00 0.00 66.02 65.35 2irm s SER 164 CO 0.00 -0.20 1.07 -0.44 1.20 0.00 0.00 173.24 174.88 2irm s SER 165 N 1.01 5.15 -0.16 5.45 0.01 -0.07 -0.91 113.70 124.18 2irm s SER 165 Ca -0.06 1.44 -0.16 0.00 1.31 0.00 0.00 55.95 58.49 2irm s SER 165 Cb -0.06 -2.28 0.04 0.00 0.21 0.00 0.00 66.02 63.93 2irm s SER 165 CO -0.09 -1.57 0.44 0.00 0.41 0.00 0.00 173.24 172.44 2irm s ALA 166 N -3.13 -1.10 -0.08 1.44 0.00 -0.03 -1.04 121.76 117.83 2irm s ALA 166 Ca 0.59 1.23 -0.02 0.00 0.00 0.00 0.00 51.96 53.76 2irm s ALA 166 Cb -0.14 -0.70 0.03 0.00 0.00 0.00 0.00 23.12 22.32 2irm s ALA 166 CO 0.54 -0.21 0.03 0.54 0.00 0.00 0.00 175.76 176.66 2irm s VAL 167 N 0.17 0.17 -0.17 0.00 0.11 0.39 -1.35 120.40 119.71 2irm s VAL 167 Ca -0.01 0.16 -0.01 0.00 -2.93 0.00 0.00 61.98 59.20 2irm s VAL 167 Cb -0.03 -0.43 0.05 0.00 -1.53 0.00 0.00 36.38 34.44 2irm s VAL 167 CO 0.01 0.15 -0.02 -1.48 -3.33 0.00 0.00 175.10 170.43 2irm s LEU 168 N 2.05 1.51 -0.09 2.54 0.05 0.07 -1.00 118.68 123.82 2irm s LEU 168 Ca 0.04 -0.72 -0.20 0.00 0.05 0.00 0.00 54.13 53.30 2irm s LEU 168 Cb -0.13 -0.81 -0.04 0.00 -2.05 0.00 0.00 46.19 43.16 2irm s LEU 168 CO -0.05 -0.23 0.57 0.00 -0.55 0.00 0.00 176.35 176.09 2irm s ALA 169 N 1.70 3.42 -0.31 1.48 0.00 0.22 -1.68 121.76 126.60 2irm s ALA 169 Ca -0.00 -0.06 0.02 0.00 0.00 0.00 0.00 51.96 51.93 2irm s ALA 169 Cb -0.16 -2.77 0.09 0.00 0.00 0.00 0.00 23.12 20.29 2irm s ALA 169 CO -0.07 -0.03 0.04 -1.17 0.00 0.00 0.00 175.76 174.53 2irm s LEU 170 N 0.63 3.80 -0.64 0.00 1.98 0.72 -0.33 118.68 124.85 2irm s LEU 170 Ca 0.31 -1.86 -0.24 0.00 -2.89 0.00 0.00 54.13 49.44 2irm s LEU 170 Cb -0.16 -1.38 0.05 0.00 0.66 0.00 0.00 46.19 45.36 2irm s LEU 170 CO 0.14 -0.36 1.02 -0.63 -1.89 0.00 0.00 176.35 174.63 2irm s ILE 171 N 1.15 4.22 -0.43 6.68 1.01 -0.74 -1.73 121.20 131.36 2irm s ILE 171 Ca 0.07 0.02 -0.06 0.00 0.00 0.00 0.00 60.65 60.68 2irm s ILE 171 Cb -0.19 -4.69 0.10 0.00 0.01 0.00 0.00 42.46 37.70 2irm s ILE 171 CO -0.12 -1.42 0.25 -2.28 0.00 0.00 0.00 174.94 171.37 2irm s HIS 172 N 4.37 3.46 -0.49 3.97 2.46 0.44 -2.23 115.29 127.27 2irm s HIS 172 Ca 0.28 -2.00 -0.28 0.00 0.47 0.00 0.00 55.06 53.53 2irm s HIS 172 Cb -0.14 -3.20 0.04 0.00 -0.13 0.00 0.00 32.58 29.15 2irm s HIS 172 CO 0.14 -0.94 0.64 2.89 -2.47 0.00 0.00 174.74 175.00 2irm n ARG 173 N 4.78 -2.01 -1.36 2.88 1.85 -1.16 -2.57 116.66 119.08 2irm n ARG 173 Ca -0.07 1.57 -0.12 0.00 -1.00 0.00 0.00 57.85 58.24 2irm n ARG 173 Cb 0.42 -3.27 -0.05 0.00 -1.05 0.00 0.00 32.46 28.51 2irm n ARG 173 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2irm n SER 174 N -0.50 -5.44 -3.95 2.89 7.64 -1.26 -4.97 113.62 108.03 2irm n SER 174 Ca -0.04 0.30 -0.21 0.00 1.01 0.00 0.00 58.87 59.93 2irm n SER 174 Cb 0.61 -4.02 -0.16 0.00 -1.01 0.00 0.00 64.21 59.63 2irm n SER 174 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2irm s HIS 175 N -2.14 0.94 -0.19 1.43 3.76 -1.06 -2.69 115.29 115.35 2irm s HIS 175 Ca 0.00 -0.28 -0.07 0.00 -0.15 0.00 0.00 55.06 54.56 2irm s HIS 175 Cb 0.00 -0.74 -0.04 0.00 1.11 0.00 0.00 32.58 32.91 2irm s HIS 175 CO 0.00 -0.18 0.05 -1.17 -0.85 0.00 0.00 174.74 172.59 2irm s LEU 176 N 0.62 3.68 0.07 0.89 2.96 0.63 -0.42 118.68 127.11 2irm s LEU 176 Ca -0.10 0.00 0.10 0.00 -0.22 0.00 0.00 54.13 53.91 2irm s LEU 176 Cb -0.13 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 2irm s LEU 176 CO 0.01 0.14 -0.26 -0.31 -1.32 0.00 0.00 176.35 174.61 2irm s TYR 177 N 0.58 2.29 -0.05 5.38 1.51 -0.71 -1.32 117.35 125.03 2irm s TYR 177 Ca 0.02 -0.40 -0.02 0.00 -1.01 0.00 0.00 57.07 55.66 2irm s TYR 177 Cb -0.13 -1.33 0.03 0.00 -0.11 0.00 0.00 41.96 40.43 2irm s TYR 177 CO 0.01 0.20 0.08 -1.17 -1.11 0.00 0.00 175.55 173.56 2irm s LEU 178 N -1.53 0.19 -0.12 -1.29 1.98 -0.30 -0.20 118.68 117.41 2irm s LEU 178 Ca 0.12 0.14 0.02 0.00 -2.89 0.00 0.00 54.13 51.52 2irm s LEU 178 Cb -0.10 -0.04 0.01 0.00 0.66 0.00 0.00 46.19 46.73 2irm s LEU 178 CO 0.03 -0.24 -0.18 -0.83 -1.89 0.00 0.00 176.35 173.25 2irm s GLY 179 N 2.08 1.17 0.05 7.98 0.00 -0.67 -0.74 107.32 117.19 2irm s GLY 179 Ca 0.03 -0.89 0.01 0.00 0.00 0.00 0.00 44.72 43.88 2irm s GLY 179 CO -0.04 0.17 -0.06 0.54 0.00 0.00 0.00 173.10 173.71 2irm s ASN 180 N 0.98 0.76 -0.07 1.64 2.20 -0.25 -0.75 114.94 119.45 2irm s ASN 180 Ca -0.06 -0.73 -0.06 0.00 -0.94 0.00 0.00 52.86 51.08 2irm s ASN 180 Cb -0.15 0.09 0.02 0.00 -2.00 0.00 0.00 41.25 39.21 2irm s ASN 180 CO -0.03 -0.35 0.19 -0.51 -2.94 0.00 0.00 177.10 173.47 2irm s ILE 181 N -2.35 -0.01 0.00 0.54 2.07 -0.46 -0.42 121.20 120.57 2irm s ILE 181 Ca -0.03 0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 2irm s ILE 181 Cb -0.03 -0.28 0.00 0.00 0.13 0.00 0.00 42.46 42.28 2irm s ILE 181 CO -0.03 0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.62 2irm n GLY 182 N 3.17 0.33 0.12 1.50 0.00 -1.20 -0.85 105.19 108.26 2irm n GLY 182 Ca -0.15 -1.06 -0.19 0.00 0.00 0.00 0.00 46.02 44.62 2irm n GLY 182 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2irm h ASN 183 N 7.69 0.58 -3.30 1.61 2.35 -1.82 -2.23 115.58 120.47 2irm h ASN 183 Ca 0.00 -0.64 -0.55 0.00 -0.55 0.00 0.00 56.30 54.56 2irm h ASN 183 Cb 0.00 -0.19 0.19 0.00 0.05 0.00 0.00 38.32 38.37 2irm h ASN 183 CO 0.00 1.50 -0.40 0.00 -1.65 0.00 0.00 177.43 176.88 2irm s ARG 185 N -3.01 0.38 -0.10 0.00 3.52 0.18 -4.83 118.95 115.10 2irm s ARG 185 Ca 0.64 -0.58 0.02 0.00 -0.13 0.00 0.00 55.73 55.68 2irm s ARG 185 Cb -0.32 0.14 0.01 0.00 -1.56 0.00 0.00 34.95 33.23 2irm s ARG 185 CO 0.60 -0.07 -0.15 0.00 -0.81 0.00 0.00 175.30 174.87 2irm s ALA 186 N -1.57 1.59 -0.06 6.12 0.00 -1.26 0.46 121.76 127.05 2irm s ALA 186 Ca -0.15 -0.65 0.06 0.00 0.00 0.00 0.00 51.96 51.22 2irm s ALA 186 Cb -0.08 -0.76 -0.01 0.00 0.00 0.00 0.00 23.12 22.27 2irm s ALA 186 CO -0.01 -0.00 -0.24 -0.51 0.00 0.00 0.00 175.76 174.99 2irm s LEU 187 N 0.87 2.06 -0.15 0.00 1.43 -0.10 -1.38 118.68 121.41 2irm s LEU 187 Ca -0.09 -0.50 -0.04 0.00 -1.03 0.00 0.00 54.13 52.46 2irm s LEU 187 Cb -0.15 -1.34 -0.03 0.00 0.03 0.00 0.00 46.19 44.69 2irm s LEU 187 CO 0.01 0.24 -0.00 -0.22 0.23 0.00 0.00 176.35 176.60 2irm s LEU 188 N -0.14 3.48 -0.34 1.79 1.98 -0.82 -0.58 118.68 124.05 2irm s LEU 188 Ca -0.04 -0.01 -0.10 0.00 -2.89 0.00 0.00 54.13 51.09 2irm s LEU 188 Cb -0.14 -1.84 0.01 0.00 0.66 0.00 0.00 46.19 44.88 2irm s LEU 188 CO 0.04 0.21 0.17 0.00 -1.89 0.00 0.00 176.35 174.88 2irm s LYS 190 N 1.56 2.80 -0.13 0.00 1.02 -0.65 -0.65 119.74 123.70 2irm s LYS 190 Ca 0.03 -0.68 -0.03 0.00 0.02 0.00 0.00 55.97 55.32 2irm s LYS 190 Cb -0.18 -2.68 -0.03 0.00 -0.52 0.00 0.00 37.83 34.42 2irm s LYS 190 CO 0.06 0.59 -0.04 -0.08 -0.92 0.00 0.00 175.35 174.95 2irm s THR 191 N -1.26 3.86 0.00 2.17 -1.32 -1.04 0.22 115.64 118.27 2irm s THR 191 Ca 0.25 -0.38 0.00 0.00 -1.21 0.00 0.00 61.69 60.35 2irm s THR 191 Cb -0.12 -2.66 0.00 0.00 -1.51 0.00 0.00 72.50 68.21 2irm s THR 191 CO 0.17 0.52 0.00 -0.90 -2.21 0.00 0.00 174.62 172.20 2irm n ASP 192 N 3.16 0.00 0.08 8.08 5.75 -1.26 -4.83 116.55 127.53 2irm n ASP 192 Ca -0.18 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.48 2irm n ASP 192 Cb 0.53 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.56 2irm n ASP 192 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2irm h GLU 193 N 0.00 0.31 -0.31 0.11 5.08 -1.99 -2.24 114.58 115.54 2irm h GLU 193 Ca 0.00 -0.37 -0.23 0.00 -1.00 0.00 0.00 59.36 57.75 2irm h GLU 193 Cb 0.00 0.11 -0.20 0.00 0.50 0.00 0.00 28.75 29.17 2irm h GLU 193 CO 0.00 1.08 -0.67 -2.39 -1.00 0.00 0.00 179.01 176.04 2irm n HIS 194 N -3.67 1.13 -4.91 4.33 1.44 -1.26 -5.11 115.22 107.18 2irm n HIS 194 Ca -0.06 -1.77 0.00 0.00 -2.01 0.00 0.00 57.72 53.88 2irm n HIS 194 Cb 0.87 -0.28 0.00 0.00 0.12 0.00 0.00 29.99 30.70 2irm n HIS 194 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2irm n ASP 195 N -0.88 -0.05 0.01 4.39 8.00 -0.85 -4.99 116.55 122.18 2irm n ASP 195 Ca 0.28 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.77 2irm n ASP 195 Cb 0.82 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.92 2irm n ASP 195 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2irm h THR 196 N 0.00 0.00 -2.86 -3.53 1.35 -1.92 -3.39 112.91 102.55 2irm h THR 196 Ca 0.00 -0.41 -0.41 0.00 -0.55 0.00 0.00 66.41 65.04 2irm h THR 196 Cb 0.00 0.00 -0.39 0.00 -1.73 0.00 0.00 68.15 66.03 2irm h THR 196 CO 0.00 0.00 -0.71 -0.76 -0.25 0.00 0.00 175.52 173.80 2irm s LEU 197 N -6.17 0.19 -0.42 3.87 1.43 -1.26 -4.34 118.68 111.98 2irm s LEU 197 Ca -0.01 -0.49 -0.15 0.00 -1.03 0.00 0.00 54.13 52.45 2irm s LEU 197 Cb 0.00 -0.03 0.03 0.00 0.03 0.00 0.00 46.19 46.22 2irm s LEU 197 CO 0.03 -0.34 0.32 0.42 0.23 0.00 0.00 176.35 177.01 2irm s THR 198 N 2.20 5.25 0.10 5.49 -4.23 0.13 -4.96 115.64 119.63 2irm s THR 198 Ca 0.04 -0.72 -0.30 0.00 -1.18 0.00 0.00 61.69 59.53 2irm s THR 198 Cb -0.16 -3.97 -0.06 0.00 1.34 0.00 0.00 72.50 69.65 2irm s THR 198 CO -0.11 -0.36 1.14 -0.69 -0.54 0.00 0.00 174.62 174.07 2irm s VAL 199 N 1.69 4.04 -0.23 2.29 1.01 -1.26 -1.63 120.40 126.31 2irm s VAL 199 Ca 0.05 1.57 -0.04 0.00 0.00 0.00 0.00 61.98 63.56 2irm s VAL 199 Cb -0.20 -4.00 0.09 0.00 0.00 0.00 0.00 36.38 32.27 2irm s VAL 199 CO 0.10 0.18 0.17 0.28 0.00 0.00 0.00 175.10 175.83 2irm s THR 200 N 0.55 -0.21 -0.12 3.92 -1.32 -0.41 -5.00 115.64 113.06 2irm s THR 200 Ca 0.54 -0.34 -0.29 0.00 -1.21 0.00 0.00 61.69 60.39 2irm s THR 200 Cb -0.29 -0.77 -0.04 0.00 -1.51 0.00 0.00 72.50 69.89 2irm s THR 200 CO 0.31 -0.39 1.61 -1.58 -2.21 0.00 0.00 174.62 172.37 2irm s GLN 201 N 2.22 4.06 0.06 7.08 0.74 -1.26 -1.95 119.66 130.61 2irm s GLN 201 Ca 0.06 1.98 0.14 0.00 0.05 0.00 0.00 55.36 57.60 2irm s GLN 201 Cb -0.16 -3.99 -0.15 0.00 1.10 0.00 0.00 33.01 29.82 2irm s GLN 201 CO -0.20 -0.98 0.91 -0.07 -0.55 0.00 0.00 175.29 174.39 2irm h LEU 202 N 10.69 0.00-10.31 3.68 -0.00 -1.60 -3.47 115.31 114.30 2irm h LEU 202 Ca -0.36 0.00 -0.51 0.00 -0.00 0.00 0.00 57.88 57.01 2irm h LEU 202 Cb 1.16 0.00 0.14 0.00 -0.00 0.00 0.00 40.66 41.97 2irm h LEU 202 CO 0.97 0.76 0.29 -0.55 -0.00 0.00 0.00 178.44 179.91 2irm s SER 203 N -6.09 4.07 -0.17 -0.43 0.15 -1.16 -4.90 113.70 105.17 2irm s SER 203 Ca -0.02 1.81 0.00 0.00 0.70 0.00 0.00 55.95 58.45 2irm s SER 203 Cb 0.08 -2.47 0.03 0.00 -1.71 0.00 0.00 66.02 61.96 2irm s SER 203 CO 0.81 -2.31 -0.11 -0.69 1.20 0.00 0.00 173.24 172.14 2irm s VAL 204 N -2.87 1.51 -0.05 4.45 1.01 -1.26 -4.91 120.40 118.29 2irm s VAL 204 Ca 0.62 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 61.54 2irm s VAL 204 Cb -0.18 -1.53 -0.06 0.00 0.00 0.00 0.00 36.38 34.61 2irm s VAL 204 CO 0.57 0.29 1.73 -1.81 0.00 0.00 0.00 175.10 175.87 2irm s ASP 205 N 1.48 6.57 -1.03 3.32 1.01 -1.26 -4.68 116.67 122.08 2irm s ASP 205 Ca 0.02 2.27 -0.03 0.00 0.71 0.00 0.00 52.55 55.52 2irm s ASP 205 Cb -0.15 -2.53 0.31 0.00 1.01 0.00 0.00 42.92 41.56 2irm s ASP 205 CO -0.09 -1.00 1.45 1.41 0.21 0.00 0.00 175.17 177.15 2irm n HIS 206 N 7.42 2.41 -3.28 4.23 8.25 -0.84 -4.59 115.22 128.82 2irm n HIS 206 Ca 0.18 -2.71 -0.02 0.00 -0.26 0.00 0.00 57.72 54.90 2irm n HIS 206 Cb 0.43 -1.18 0.00 0.00 1.12 0.00 0.00 29.99 30.36 2irm n HIS 206 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2irm n ASN 207 N 1.12 -0.53 0.00 0.41 2.04 -1.26 0.14 115.26 117.18 2irm n ASN 207 Ca 0.28 -1.41 0.09 0.00 -0.44 0.00 0.00 54.58 53.11 2irm n ASN 207 Cb 0.33 0.89 0.45 0.00 -2.53 0.00 0.00 39.78 38.92 2irm n ASN 207 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 2irm n LEU 208 N 0.00 0.00 0.21 -4.53 4.32 -1.26 -1.51 117.00 114.22 2irm n LEU 208 Ca -0.02 0.40 0.15 0.00 -0.02 0.00 0.00 56.01 56.52 2irm n LEU 208 Cb 0.15 -0.40 0.67 0.00 -1.62 0.00 0.00 43.42 42.22 2irm n LEU 208 CO 0.07 -0.14 0.94 -0.07 -1.22 0.00 0.00 177.39 176.96 2irm h LEU 209 N 0.00 0.00 -8.12 2.23 3.38 -1.95 -3.41 115.31 107.44 2irm h LEU 209 Ca 0.00 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.26 2irm h LEU 209 Cb 0.26 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 40.72 2irm h LEU 209 CO 0.00 0.00 -0.53 0.21 0.09 0.00 0.00 178.44 178.21 2irm s ASN 210 N -4.73 5.47 0.32 -0.43 3.04 -0.57 -4.88 114.94 113.16 2irm s ASN 210 Ca 0.01 -1.40 0.09 0.00 0.04 0.00 0.00 52.86 51.60 2irm s ASN 210 Cb 0.09 -1.92 0.91 0.00 -1.54 0.00 0.00 41.25 38.78 2irm s ASN 210 CO 0.40 -0.45 1.70 0.00 -3.04 0.00 0.00 177.10 175.71 2irm h ALA 211 N 8.29 1.74 -0.67 1.71 0.00 -1.85 0.57 119.26 129.07 2irm h ALA 211 Ca -0.22 0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.91 2irm h ALA 211 Cb 1.08 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 2irm h ALA 211 CO 0.69 -0.38 0.36 0.93 0.00 0.00 0.00 179.25 180.84 2irm h GLU 212 N 0.45 0.63 -0.50 0.00 4.39 -1.94 0.59 114.58 118.20 2irm h GLU 212 Ca 0.65 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 60.24 2irm h GLU 212 Cb 1.32 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.81 2irm h GLU 212 CO -0.54 0.42 0.05 0.93 -1.16 0.00 0.00 179.01 178.71 2irm h GLU 213 N 0.65 0.86 -0.36 2.33 4.39 -0.17 -0.26 114.58 122.02 2irm h GLU 213 Ca 0.30 -0.25 0.06 0.00 0.34 0.00 0.00 59.36 59.81 2irm h GLU 213 Cb 0.22 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.73 2irm h GLU 213 CO -0.20 0.87 0.05 0.00 -1.16 0.00 0.00 179.01 178.57 2irm h ALA 214 N 0.96 0.37 0.00 3.43 0.00 0.10 -1.74 119.26 122.37 2irm h ALA 214 Ca 0.15 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 2irm h ALA 214 Cb 0.45 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2irm h ALA 214 CO 0.02 -0.35 -0.20 0.00 0.00 0.00 0.00 179.25 178.71 2irm h ALA 215 N 1.28 1.66 -0.71 0.00 0.00 0.32 0.13 119.26 121.94 2irm h ALA 215 Ca 0.17 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2irm h ALA 215 Cb 0.21 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2irm h ALA 215 CO -0.24 0.26 0.16 -0.09 0.00 0.00 0.00 179.25 179.34 2irm h ARG 216 N 0.00 1.15 0.05 0.00 2.43 -0.19 -2.42 114.38 115.39 2irm h ARG 216 Ca -0.00 -0.28 -0.00 0.00 -0.81 0.00 0.00 59.98 58.88 2irm h ARG 216 Cb 0.36 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2irm h ARG 216 CO 0.03 1.01 -0.02 -0.07 -1.51 0.00 0.00 179.97 179.41 2irm h LEU 217 N 1.08 -0.05 -0.59 3.80 3.38 -0.69 -2.59 115.31 119.65 2irm h LEU 217 Ca 0.22 -0.62 0.16 0.00 0.09 0.00 0.00 57.88 57.74 2irm h LEU 217 Cb 0.39 0.01 -0.11 0.00 0.09 0.00 0.00 40.66 41.04 2irm h LEU 217 CO 0.00 0.65 -0.00 0.33 0.09 0.00 0.00 178.44 179.51 2irm n PHE 218 N -4.78 0.36 0.75 1.13 7.35 -0.05 0.93 117.46 123.16 2irm n PHE 218 Ca -0.08 0.71 0.13 0.00 -0.76 0.00 0.00 57.45 57.45 2irm n PHE 218 Cb 0.33 -0.94 0.48 0.00 0.35 0.00 0.00 39.48 39.70 2irm n PHE 218 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2irm n ARG 219 N -4.77 0.16 0.00 -4.13 1.74 -0.91 -2.34 116.66 106.41 2irm n ARG 219 Ca 0.14 0.15 0.12 0.00 -0.77 0.00 0.00 57.85 57.48 2irm n ARG 219 Cb 0.44 -1.69 0.19 0.00 -1.02 0.00 0.00 32.46 30.38 2irm n ARG 219 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2irm n LEU 220 N -1.97 0.63 0.00 0.55 4.77 0.27 -4.92 117.00 116.32 2irm n LEU 220 Ca 0.06 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2irm n LEU 220 Cb 0.39 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2irm n LEU 220 CO 0.28 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 2irm n GLY 221 N 1.49 1.12 3.88 -0.72 0.00 -0.78 0.32 105.19 110.51 2irm n GLY 221 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 2irm n GLY 221 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2irm s LEU 222 N 0.00 4.07 0.24 0.99 1.43 -0.78 -4.69 118.68 119.94 2irm s LEU 222 Ca 0.00 0.91 0.05 0.00 -1.03 0.00 0.00 54.13 54.06 2irm s LEU 222 Cb 0.00 -3.71 -0.05 0.00 0.03 0.00 0.00 46.19 42.46 2irm s LEU 222 CO 0.00 -0.17 -0.03 0.00 0.23 0.00 0.00 176.35 176.38 2irm s MET 223 N -3.22 1.38 0.39 1.70 0.23 -1.26 -3.37 119.30 115.14 2irm s MET 223 Ca 0.47 -1.69 0.06 0.00 -1.03 0.00 0.00 55.69 53.51 2irm s MET 223 Cb -0.11 -0.78 0.79 0.00 -1.53 0.00 0.00 34.83 33.20 2irm s MET 223 CO 0.25 -0.04 2.02 0.00 -2.03 0.00 0.00 175.02 175.22 2irm h ALA 224 N 2.44 1.70 0.00 3.16 0.00 -1.99 -1.69 119.26 122.88 2irm h ALA 224 Ca -0.39 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 2irm h ALA 224 Cb 1.22 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2irm h ALA 224 CO 0.65 0.25 -0.01 1.96 0.00 0.00 0.00 179.25 182.10 2irm h GLN 225 N 0.66 0.00 0.00 0.00 7.50 -2.00 0.12 115.11 121.39 2irm h GLN 225 Ca 0.22 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.37 2irm h GLN 225 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.59 2irm h GLN 225 CO -0.06 0.01 0.00 -0.91 -1.50 0.00 0.00 178.83 176.37 2irm h ASN 226 N 0.00 0.00 -0.30 1.46 2.35 -1.66 -3.12 115.58 114.30 2irm h ASN 226 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2irm h ASN 226 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 2irm h ASN 226 CO 0.00 0.00 0.00 0.49 -1.65 0.00 0.00 177.43 176.27 2irm n PHE 227 N -2.59 0.72 -1.96 1.19 3.01 0.41 -4.89 117.46 113.34 2irm n PHE 227 Ca 0.00 -0.69 -0.39 0.00 1.01 0.00 0.00 57.45 57.38 2irm n PHE 227 Cb 0.19 -0.18 0.01 0.00 -0.01 0.00 0.00 39.48 39.49 2irm n PHE 227 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 2irm s GLU 228 N -1.94 3.81 0.00 -1.08 2.02 -1.18 -3.00 118.70 117.33 2irm s GLU 228 Ca 0.33 2.23 0.00 0.00 0.02 0.00 0.00 54.97 57.55 2irm s GLU 228 Cb 0.23 -2.67 0.00 0.00 0.10 0.00 0.00 34.13 31.79 2irm s GLU 228 CO 0.12 -0.65 0.00 0.41 0.02 0.00 0.00 175.26 175.16 2irm n GLY 229 N 0.63 2.41 3.53 -1.39 0.00 -1.26 -4.94 105.19 104.17 2irm n GLY 229 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 2irm n GLY 229 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2irm s VAL 230 N -0.71 4.75 0.00 1.61 0.11 -1.16 -5.02 120.40 119.99 2irm s VAL 230 Ca 0.00 0.23 0.00 0.00 -2.93 0.00 0.00 61.98 59.28 2irm s VAL 230 Cb 0.00 -4.26 0.00 0.00 -1.53 0.00 0.00 36.38 30.59 2irm s VAL 230 CO 0.00 -0.65 0.28 -2.65 -3.33 0.00 0.00 175.10 168.74 2irm n PRO 231 N 6.45 0.00 -3.06 1.54 -0.02 -1.26 -4.29 135.00 134.36 2irm n PRO 231 Ca -0.00 0.28 -0.16 0.00 -2.02 0.00 0.00 63.50 61.60 2irm n PRO 231 Cb 0.48 -0.68 -0.01 0.00 -0.02 0.00 0.00 33.50 33.27 2irm n PRO 231 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2irm n LEU 232 N -0.62 0.69 -4.67 2.45 0.00 -1.26 -5.10 117.00 108.48 2irm n LEU 232 Ca 0.00 -4.67 -0.48 0.00 0.00 0.00 0.00 56.01 50.86 2irm n LEU 232 Cb 0.00 0.67 -0.05 0.00 0.00 0.00 0.00 43.42 44.05 2irm n LEU 232 CO 0.00 2.14 1.52 0.00 0.00 0.00 0.00 177.39 181.05 2irm n TYR 233 N 0.21 2.32 -2.54 1.96 9.36 -1.26 -4.91 117.16 122.30 2irm n TYR 233 Ca 0.20 -0.03 -0.41 0.00 3.32 0.00 0.00 57.90 60.99 2irm n TYR 233 Cb 0.69 -2.67 -0.04 0.00 -0.63 0.00 0.00 39.34 36.69 2irm n TYR 233 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 2irm s SER 234 N 4.31 7.30 0.00 2.98 1.04 -1.26 -4.28 113.70 123.78 2irm s SER 234 Ca 0.93 2.06 0.24 0.00 0.48 0.00 0.00 55.95 59.66 2irm s SER 234 Cb -0.67 -2.60 0.31 0.00 0.10 0.00 0.00 66.02 63.16 2irm s SER 234 CO 0.51 -0.20 1.33 0.35 0.98 0.00 0.00 173.24 176.21 2irm n THR 235 N 2.39 0.09 -3.85 2.02 -2.24 0.12 -4.82 114.28 108.00 2irm n THR 235 Ca 0.03 -0.52 -0.11 0.00 -2.27 0.00 0.00 64.05 61.17 2irm n THR 235 Cb 0.46 1.31 -0.09 0.00 -2.10 0.00 0.00 70.33 69.91 2irm n THR 235 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2irm s ARG 236 N -1.91 0.55 0.00 -0.78 0.52 -1.22 -3.01 118.95 113.10 2irm s ARG 236 Ca 0.31 -0.39 0.00 0.00 -0.52 0.00 0.00 55.73 55.13 2irm s ARG 236 Cb 0.21 0.23 0.00 0.00 0.52 0.00 0.00 34.95 35.91 2irm s ARG 236 CO 0.31 -0.14 0.00 0.00 0.02 0.00 0.00 175.30 175.49 2irm s ILE 238 N -2.00 4.89 0.00 0.00 1.01 -0.09 -4.72 121.20 120.28 2irm s ILE 238 Ca 0.00 1.49 0.00 0.00 0.00 0.00 0.00 60.65 62.14 2irm s ILE 238 Cb 0.00 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.42 2irm s ILE 238 CO 0.00 0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.88 2irm n GLY 239 N 2.67 1.71 3.20 6.18 0.00 -1.26 -1.22 105.19 116.46 2irm n GLY 239 Ca -0.03 -0.59 -0.05 0.00 0.00 0.00 0.00 46.02 45.35 2irm n GLY 239 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2irm n ASN 240 N 3.51 -7.23 -0.15 1.61 5.15 -0.72 -4.85 115.26 112.58 2irm n ASN 240 Ca 0.00 -0.27 0.15 0.00 -0.60 0.00 0.00 54.58 53.86 2irm n ASN 240 Cb 0.00 -4.71 0.50 0.00 -0.53 0.00 0.00 39.78 35.04 2irm n ASN 240 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 2irm h TYR 241 N 0.19 0.48 0.00 1.20 3.20 -1.66 -2.42 116.97 117.95 2irm h TYR 241 Ca -0.15 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.72 2irm h TYR 241 Cb 1.09 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 39.21 2irm h TYR 241 CO 0.21 0.19 -0.07 1.25 -1.64 0.00 0.00 178.16 178.10 2irm h LEU 242 N 0.42 0.00 -1.31 2.82 7.12 -1.66 -0.80 115.31 121.90 2irm h LEU 242 Ca 0.35 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.36 2irm h LEU 242 Cb 0.78 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.91 2irm h LEU 242 CO -0.11 0.07 -0.32 0.61 -0.13 0.00 0.00 178.44 178.56 2irm n GLY 243 N -1.15 0.35 0.00 3.75 0.00 -0.92 -3.10 105.19 104.12 2irm n GLY 243 Ca -0.03 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.34 2irm n GLY 243 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2irm n LYS 244 N 0.43 0.00 -4.00 1.61 5.02 -0.35 -1.98 118.16 118.89 2irm n LYS 244 Ca 0.11 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.09 2irm n LYS 244 Cb 0.51 -0.05 -0.15 0.00 -0.02 0.00 0.00 35.03 35.33 2irm n LYS 244 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2irm s ALA 245 N -4.85 2.87 0.00 7.82 0.00 -0.92 -4.14 121.76 122.54 2irm s ALA 245 Ca 0.00 -2.58 0.00 0.00 0.00 0.00 0.00 51.96 49.38 2irm s ALA 245 Cb 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 21.15 2irm s ALA 245 CO 0.00 -1.73 0.00 0.41 0.00 0.00 0.00 175.76 174.44 2irm n GLY 246 N 4.15 0.98 0.20 0.00 0.00 -1.26 -4.81 105.19 104.45 2irm n GLY 246 Ca 0.04 -0.17 0.14 0.00 0.00 0.00 0.00 46.02 46.04 2irm n GLY 246 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2irm h TYR 247 N 0.00 0.00 -0.30 1.61 -0.00 -1.70 -3.24 116.97 113.34 2irm h TYR 247 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.72 2irm h TYR 247 Cb 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.96 2irm h TYR 247 CO 0.00 0.00 0.16 0.87 -0.00 0.00 0.00 178.16 179.19 2irm h LYS 248 N 0.00 0.40 -0.06 0.10 1.79 -1.84 -1.93 116.57 115.03 2irm h LYS 248 Ca 0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2irm h LYS 248 Cb 0.45 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 2irm h LYS 248 CO 0.00 0.30 0.00 -0.25 -1.08 0.00 0.00 179.45 178.42 2irm n ASP 249 N -4.45 0.65 -4.69 0.86 8.00 -1.22 -4.17 116.55 111.53 2irm n ASP 249 Ca 0.01 -1.54 -0.42 0.00 0.71 0.00 0.00 54.79 53.55 2irm n ASP 249 Cb 0.10 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.13 2irm n ASP 249 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2irm n ASN 251 N 5.62 2.30 0.00 0.00 6.94 -1.26 -3.43 115.26 125.44 2irm n ASN 251 Ca 0.14 1.08 0.00 0.00 -0.02 0.00 0.00 54.58 55.79 2irm n ASN 251 Cb 0.43 -1.23 0.00 0.00 -2.36 0.00 0.00 39.78 36.62 2irm n ASN 251 CO 0.00 0.00 0.00 2.22 -1.03 0.00 0.00 177.26 178.45 2irm n PHE 252 N 4.09 0.00 0.03 -2.53 -1.74 -1.26 -4.61 117.46 111.44 2irm n PHE 252 Ca 0.21 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.11 2irm n PHE 252 Cb 0.20 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.20 2irm n PHE 252 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 2irm n LEU 253 N 0.00 1.03 0.18 5.98 4.77 -1.26 -4.83 117.00 122.86 2irm n LEU 253 Ca 0.00 -0.98 0.10 0.00 -0.03 0.00 0.00 56.01 55.09 2irm n LEU 253 Cb 0.00 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.19 2irm n LEU 253 CO 0.00 0.25 0.57 0.77 -1.33 0.00 0.00 177.39 177.65 2irm h SER 254 N 0.14 0.00 1.13 -1.43 4.64 -1.68 -3.13 113.55 113.22 2irm h SER 254 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2irm h SER 254 Cb 0.03 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2irm h SER 254 CO 0.00 0.12 -0.03 0.77 -0.87 0.00 0.00 176.83 176.82 2irm h SER 255 N 0.00 0.00 -4.00 4.97 4.64 -1.90 -3.46 113.55 113.80 2irm h SER 255 Ca -0.01 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.75 2irm h SER 255 Cb 1.10 0.00 0.16 0.00 -0.31 0.00 0.00 62.40 63.35 2irm h SER 255 CO 0.01 0.03 0.43 0.00 -0.87 0.00 0.00 176.83 176.44 2irm n ALA 256 N -2.11 0.95 -0.49 5.18 0.00 -1.19 -4.87 120.51 117.98 2irm n ALA 256 Ca 0.01 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.55 2irm n ALA 256 Cb 0.35 -2.28 0.31 0.00 0.00 0.00 0.00 19.45 17.83 2irm n ALA 256 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2irm n THR 257 N -1.88 1.45 -3.68 0.00 -2.24 0.15 -4.96 114.28 103.12 2irm n THR 257 Ca 0.15 -1.14 -0.01 0.00 -2.27 0.00 0.00 64.05 60.79 2irm n THR 257 Cb 0.48 0.29 -0.01 0.00 -2.10 0.00 0.00 70.33 68.99 2irm n THR 257 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2irm s ALA 258 N -1.48 -1.97 -0.01 6.98 0.00 -1.26 -5.08 121.76 118.94 2irm s ALA 258 Ca 0.46 0.47 -0.30 0.00 0.00 0.00 0.00 51.96 52.59 2irm s ALA 258 Cb 0.27 0.47 -0.07 0.00 0.00 0.00 0.00 23.12 23.80 2irm s ALA 258 CO 0.26 -1.03 1.73 -1.21 0.00 0.00 0.00 175.76 175.50 2irm s GLU 259 N -2.81 4.18 0.02 0.00 2.02 -1.26 -4.90 118.70 115.94 2irm s GLU 259 Ca 0.13 2.32 -0.25 0.00 0.02 0.00 0.00 54.97 57.19 2irm s GLU 259 Cb 0.02 -3.94 -0.18 0.00 0.10 0.00 0.00 34.13 30.13 2irm s GLU 259 CO -0.01 -0.85 1.40 -1.35 0.02 0.00 0.00 175.26 174.48 2irm h PRO 260 N 9.50 -0.12 -5.87 0.39 0.11 -1.84 -3.42 132.00 130.76 2irm h PRO 260 Ca -0.42 0.01 -0.62 0.00 0.11 0.00 0.00 66.00 65.08 2irm h PRO 260 Cb 1.20 0.03 -0.12 0.00 0.11 0.00 0.00 31.00 32.21 2irm h PRO 260 CO 0.95 0.19 0.45 0.08 -0.21 0.00 0.00 178.00 179.45 2irm s VAL 261 N -4.95 4.55 0.25 3.15 1.01 -0.84 -4.88 120.40 118.69 2irm s VAL 261 Ca -0.15 0.45 0.04 0.00 0.00 0.00 0.00 61.98 62.32 2irm s VAL 261 Cb 0.03 -4.40 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 2irm s VAL 261 CO 0.64 -0.84 0.38 0.27 0.00 0.00 0.00 175.10 175.55 2irm s ILE 262 N 3.53 5.24 -0.54 2.22 -4.36 -1.16 -4.45 121.20 121.68 2irm s ILE 262 Ca 0.31 -0.90 -0.07 0.00 -0.26 0.00 0.00 60.65 59.73 2irm s ILE 262 Cb -0.12 -3.85 0.14 0.00 1.25 0.00 0.00 42.46 39.88 2irm s ILE 262 CO 0.23 -0.35 0.40 0.12 0.24 0.00 0.00 174.94 175.57 2irm s PHE 263 N -2.02 3.49 -0.44 1.37 5.36 -1.26 -3.84 117.98 120.63 2irm s PHE 263 Ca 0.35 -2.16 0.05 0.00 -0.96 0.00 0.00 56.93 54.21 2irm s PHE 263 Cb -0.09 -3.43 0.17 0.00 -0.34 0.00 0.00 43.02 39.33 2irm s PHE 263 CO 0.30 -0.96 0.51 -2.00 -1.46 0.00 0.00 175.22 171.61 2irm s GLU 264 N 0.85 0.89 0.91 10.12 2.12 -1.26 -5.09 118.70 127.25 2irm s GLU 264 Ca 0.10 -1.30 -0.11 0.00 0.36 0.00 0.00 54.97 54.02 2irm s GLU 264 Cb -0.22 -0.65 0.14 0.00 0.26 0.00 0.00 34.13 33.66 2irm s GLU 264 CO -0.03 -1.31 1.09 -1.25 -0.54 0.00 0.00 175.26 173.23 2irm s PRO 265 N 0.82 1.13 -0.11 4.30 0.04 -1.26 -5.01 135.00 134.91 2irm s PRO 265 Ca 0.27 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.19 2irm s PRO 265 Cb -0.03 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.70 2irm s PRO 265 CO -0.09 -2.34 -0.11 -2.00 0.04 0.00 0.00 177.00 172.49 2irm s GLU 266 N -4.88 3.20 -0.16 4.56 2.56 0.44 -4.96 118.70 119.46 2irm s GLU 266 Ca 0.64 -0.65 -0.00 0.00 0.00 0.00 0.00 54.97 54.96 2irm s GLU 266 Cb -0.19 -2.62 0.04 0.00 2.00 0.00 0.00 34.13 33.36 2irm s GLU 266 CO 0.57 0.34 -0.08 0.42 -0.56 0.00 0.00 175.26 175.95 2irm s ILE 267 N 0.03 1.28 -0.12 -3.70 1.01 -1.26 -1.09 121.20 117.36 2irm s ILE 267 Ca -0.03 -0.65 -0.02 0.00 0.00 0.00 0.00 60.65 59.94 2irm s ILE 267 Cb -0.14 -1.37 -0.03 0.00 0.01 0.00 0.00 42.46 40.93 2irm s ILE 267 CO 0.04 0.23 -0.04 -0.69 0.00 0.00 0.00 174.94 174.48 2irm s VAL 268 N 1.57 3.88 -0.15 2.92 1.01 0.08 -4.98 120.40 124.74 2irm s VAL 268 Ca 0.02 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 2irm s VAL 268 Cb -0.15 -2.65 0.04 0.00 0.00 0.00 0.00 36.38 33.62 2irm s VAL 268 CO -0.08 0.54 -0.06 -0.83 0.00 0.00 0.00 175.10 174.67 2irm s GLY 269 N -0.19 0.90 0.00 4.51 0.00 -1.26 -1.15 107.32 110.13 2irm s GLY 269 Ca 0.03 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 44.02 2irm s GLY 269 CO 0.02 0.92 0.00 0.61 0.00 0.00 0.00 173.10 174.65 2irm n GLY 270 N 4.90 0.89 3.59 0.20 0.00 -1.10 -4.98 105.19 108.70 2irm n GLY 270 Ca -0.12 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 2irm n GLY 270 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2irm s ILE 271 N -2.80 3.65 -0.65 -0.61 1.01 -0.44 -4.79 121.20 116.58 2irm s ILE 271 Ca 0.00 0.63 -0.27 0.00 0.00 0.00 0.00 60.65 61.01 2irm s ILE 271 Cb 0.00 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.52 2irm s ILE 271 CO 0.00 -0.66 1.57 -1.58 0.00 0.00 0.00 174.94 174.27 2irm s GLN 272 N 5.52 2.95 -0.23 2.79 0.74 -1.26 -0.27 119.66 129.90 2irm s GLN 272 Ca 0.69 0.28 -0.30 0.00 0.05 0.00 0.00 55.36 56.08 2irm s GLN 272 Cb -0.17 -4.27 -0.07 0.00 1.10 0.00 0.00 33.01 29.60 2irm s GLN 272 CO 0.31 -2.38 2.19 0.44 -0.55 0.00 0.00 175.29 175.31 2irm n ILE 273 N 6.85 0.34 -3.73 -2.34 -5.35 -1.09 -4.96 119.36 109.08 2irm n ILE 273 Ca 0.13 -0.39 -0.21 0.00 -0.27 0.00 0.00 62.75 62.00 2irm n ILE 273 Cb 0.50 -2.32 -0.04 0.00 -1.74 0.00 0.00 39.64 36.04 2irm n ILE 273 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2irm s THR 274 N 7.75 2.90 0.50 7.28 -4.23 -1.26 -4.89 115.64 123.69 2irm s THR 274 Ca 1.02 -1.41 0.26 0.00 -1.18 0.00 0.00 61.69 60.38 2irm s THR 274 Cb -0.47 -3.05 0.44 0.00 1.34 0.00 0.00 72.50 70.76 2irm s THR 274 CO 0.39 -0.06 1.90 -0.65 -0.54 0.00 0.00 174.62 175.66 2irm h PRO 275 N 1.17 0.12 -0.08 3.99 0.11 -2.02 -0.89 132.00 134.40 2irm h PRO 275 Ca -0.43 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.59 2irm h PRO 275 Cb 1.26 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2irm h PRO 275 CO 0.59 0.08 -0.33 0.00 -0.21 0.00 0.00 178.00 178.13 2irm h ALA 276 N 1.60 1.31 -2.31 -0.75 0.00 -1.95 -3.43 119.26 113.73 2irm h ALA 276 Ca 0.41 -0.34 -0.55 0.00 0.00 0.00 0.00 54.91 54.44 2irm h ALA 276 Cb 1.42 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2irm h ALA 276 CO -0.06 0.49 0.98 0.00 0.00 0.00 0.00 179.25 180.66 2irm n ARG 278 N 6.30 0.55 -3.53 0.00 5.12 0.18 -4.51 116.66 120.76 2irm n ARG 278 Ca 0.15 0.44 -0.11 0.00 -1.93 0.00 0.00 57.85 56.40 2irm n ARG 278 Cb 0.43 -1.63 -0.04 0.00 -1.16 0.00 0.00 32.46 30.06 2irm n ARG 278 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 2irm s PHE 279 N -2.44 -0.42 -0.07 -1.55 -0.12 -1.22 0.09 117.98 112.25 2irm s PHE 279 Ca -0.29 0.53 0.01 0.00 -0.05 0.00 0.00 56.93 57.13 2irm s PHE 279 Cb 0.08 0.48 -0.03 0.00 -0.63 0.00 0.00 43.02 42.92 2irm s PHE 279 CO 0.48 -0.49 -0.07 -1.17 -0.05 0.00 0.00 175.22 173.91 2irm s LEU 280 N -1.74 3.15 -0.18 -1.99 0.20 0.17 -2.02 118.68 116.27 2irm s LEU 280 Ca -0.01 -0.03 0.01 0.00 0.69 0.00 0.00 54.13 54.79 2irm s LEU 280 Cb -0.01 -1.68 0.02 0.00 -0.43 0.00 0.00 46.19 44.09 2irm s LEU 280 CO -0.02 0.36 -0.20 -0.69 -0.29 0.00 0.00 176.35 175.51 2irm s VAL 281 N -0.78 2.11 -0.16 1.68 1.01 0.25 -0.86 120.40 123.64 2irm s VAL 281 Ca 0.12 -0.93 -0.07 0.00 0.00 0.00 0.00 61.98 61.10 2irm s VAL 281 Cb -0.11 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 2irm s VAL 281 CO 0.01 0.54 0.06 -0.76 0.00 0.00 0.00 175.10 174.95 2irm s LEU 282 N 1.26 3.83 -0.11 3.92 1.43 0.94 -0.92 118.68 129.02 2irm s LEU 282 Ca 0.04 0.12 0.04 0.00 -1.03 0.00 0.00 54.13 53.30 2irm s LEU 282 Cb -0.13 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.14 2irm s LEU 282 CO -0.12 0.22 -0.23 -0.04 0.23 0.00 0.00 176.35 176.41 2irm s MET 283 N 0.09 3.00 0.72 1.70 -1.94 0.17 -1.67 119.30 121.38 2irm s MET 283 Ca 0.05 -0.86 -0.11 0.00 -1.71 0.00 0.00 55.69 53.06 2irm s MET 283 Cb -0.12 -2.30 0.02 0.00 2.01 0.00 0.00 34.83 34.44 2irm s MET 283 CO 0.01 0.13 1.10 -1.54 -0.01 0.00 0.00 175.02 174.71 2irm s SER 284 N 0.45 5.30 0.15 3.03 1.04 -1.05 0.51 113.70 123.13 2irm s SER 284 Ca -0.16 1.17 -0.23 0.00 0.48 0.00 0.00 55.95 57.21 2irm s SER 284 Cb -0.17 -1.96 0.02 0.00 0.10 0.00 0.00 66.02 64.01 2irm s SER 284 CO 0.06 -1.44 1.63 -1.28 0.98 0.00 0.00 173.24 173.20 2irm h SER 285 N -0.72 -0.76 -0.95 7.02 0.87 -1.85 -1.13 113.55 116.04 2irm h SER 285 Ca -0.45 0.14 0.18 0.00 -1.23 0.00 0.00 61.79 60.42 2irm h SER 285 Cb 1.25 0.36 -0.10 0.00 -0.44 0.00 0.00 62.40 63.47 2irm h SER 285 CO 0.63 -0.28 0.54 1.23 -0.53 0.00 0.00 176.83 178.42 2irm h GLY 286 N -0.25 1.64 0.95 5.77 0.00 -1.86 0.71 103.07 110.04 2irm h GLY 286 Ca 0.13 -0.31 -0.10 0.00 0.00 0.00 0.00 47.33 47.05 2irm h GLY 286 CO -0.37 -0.07 -0.22 -2.00 0.00 0.00 0.00 176.54 173.88 2irm h LEU 287 N 0.69 0.72 -0.19 3.11 5.85 -1.47 -1.37 115.31 122.64 2irm h LEU 287 Ca 0.54 -0.44 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2irm h LEU 287 Cb 0.83 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 2irm h LEU 287 CO -0.39 1.01 0.08 0.00 -0.34 0.00 0.00 178.44 178.79 2irm h ARG 289 N 0.16 -0.40 -0.09 0.00 2.43 -0.80 -1.73 114.38 113.96 2irm h ARG 289 Ca 0.06 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.30 2irm h ARG 289 Cb 0.17 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.77 2irm h ARG 289 CO -0.01 -0.27 -0.17 0.00 -1.51 0.00 0.00 179.97 178.02 2irm h ALA 290 N 0.36 -0.14 -0.67 2.80 0.00 -1.11 -1.75 119.26 118.75 2irm h ALA 290 Ca 0.10 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.18 2irm h ALA 290 Cb 0.57 0.33 -0.10 0.00 0.00 0.00 0.00 17.79 18.59 2irm h ALA 290 CO -0.38 -0.64 0.16 -0.07 0.00 0.00 0.00 179.25 178.32 2irm h LEU 291 N -0.24 0.02 -0.94 0.00 3.38 -1.02 -2.08 115.31 114.43 2irm h LEU 291 Ca 0.08 0.13 -0.11 0.00 0.09 0.00 0.00 57.88 58.07 2irm h LEU 291 Cb 0.35 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2irm h LEU 291 CO -0.23 -0.01 -0.49 -0.74 0.09 0.00 0.00 178.44 177.07 2irm h HIS 292 N 0.28 0.10 0.00 1.13 2.76 -0.71 0.20 115.15 118.91 2irm h HIS 292 Ca 0.37 -0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.43 2irm h HIS 292 Cb 0.58 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.51 2irm h HIS 292 CO -0.25 0.56 -0.37 0.93 -1.30 0.00 0.00 177.93 177.50 2irm h GLU 293 N 0.07 0.00 -0.01 5.26 5.08 -0.80 -3.23 114.58 120.94 2irm h GLU 293 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2irm h GLU 293 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 2irm h GLU 293 CO 0.07 0.37 -0.12 0.44 -1.00 0.00 0.00 179.01 178.76 2irm n ILE 294 N -3.38 0.00 -3.26 3.13 -5.35 -0.83 -4.93 119.36 104.74 2irm n ILE 294 Ca 0.01 -0.44 -0.04 0.00 -0.27 0.00 0.00 62.75 62.01 2irm n ILE 294 Cb 0.56 1.25 -0.04 0.00 -1.74 0.00 0.00 39.64 39.67 2irm n ILE 294 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2irm s PHE 295 N -1.43 -1.25 -0.01 4.28 0.40 0.67 -5.04 117.98 115.60 2irm s PHE 295 Ca 0.15 0.78 -0.11 0.00 -0.60 0.00 0.00 56.93 57.15 2irm s PHE 295 Cb 0.12 0.08 -0.32 0.00 0.51 0.00 0.00 43.02 43.42 2irm s PHE 295 CO 0.26 -0.94 0.81 -1.00 0.70 0.00 0.00 175.22 175.04 2irm h PRO 296 N 8.11 0.41 -1.74 0.24 0.13 -1.82 -3.37 132.00 133.95 2irm h PRO 296 Ca -0.11 -0.69 0.02 0.00 -0.87 0.00 0.00 66.00 64.35 2irm h PRO 296 Cb 1.15 0.26 -0.23 0.00 0.13 0.00 0.00 31.00 32.30 2irm h PRO 296 CO 0.24 1.31 0.36 0.20 -0.23 0.00 0.00 178.00 179.88 2irm s GLY 297 N -4.93 -0.33 0.00 1.56 0.00 -1.26 -4.78 107.32 97.58 2irm s GLY 297 Ca -0.12 2.19 0.00 0.00 0.00 0.00 0.00 44.72 46.79 2irm s GLY 297 CO 0.88 1.51 0.00 1.34 0.00 0.00 0.00 173.10 176.83 2irm n ASP 298 N 1.81 -1.76 -0.89 1.64 2.03 -1.26 -4.47 116.55 113.65 2irm n ASP 298 Ca -0.13 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.15 2irm n ASP 298 Cb 0.56 -0.29 -0.01 0.00 -0.72 0.00 0.00 41.12 40.66 2irm n ASP 298 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2irm n ALA 299 N -0.04 -0.04 -0.05 -1.67 0.00 -1.26 -3.80 120.51 113.65 2irm n ALA 299 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2irm n ALA 299 Cb 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.01 2irm n ALA 299 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2irm n SER 300 N 1.00 0.00 -0.13 0.00 3.41 -1.26 -4.73 113.62 111.91 2irm n SER 300 Ca -0.02 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.60 2irm n SER 300 Cb 0.09 0.00 0.31 0.00 -0.26 0.00 0.00 64.21 64.35 2irm n SER 300 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2irm h THR 301 N 0.00 1.16 -0.32 6.66 1.35 -1.78 -2.83 112.91 117.15 2irm h THR 301 Ca 0.00 -0.31 0.04 0.00 -0.55 0.00 0.00 66.41 65.59 2irm h THR 301 Cb 0.00 0.26 -0.04 0.00 -1.73 0.00 0.00 68.15 66.64 2irm h THR 301 CO 0.00 0.16 0.09 1.23 -0.25 0.00 0.00 175.52 176.75 2irm h GLY 302 N 0.85 0.38 0.25 5.82 0.00 -1.85 -1.98 103.07 106.55 2irm h GLY 302 Ca 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.51 2irm h GLY 302 CO -0.05 0.01 -0.45 3.43 0.00 0.00 0.00 176.54 179.49 2irm h ASN 303 N 0.22 -1.29 -0.95 0.19 2.35 -1.82 -0.32 115.58 113.96 2irm h ASN 303 Ca 0.14 0.12 0.22 0.00 -0.55 0.00 0.00 56.30 56.24 2irm h ASN 303 Cb 0.13 0.45 -0.12 0.00 0.05 0.00 0.00 38.32 38.84 2irm h ASN 303 CO -0.16 -0.52 0.50 0.03 -1.65 0.00 0.00 177.43 175.63 2irm h ARG 304 N -0.75 0.52 0.00 0.81 2.47 -1.41 0.26 114.38 116.29 2irm h ARG 304 Ca -0.03 -0.03 -0.06 0.00 -1.26 0.00 0.00 59.98 58.60 2irm h ARG 304 Cb 0.70 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.89 2irm h ARG 304 CO -0.16 0.34 -0.30 0.93 0.56 0.00 0.00 179.97 181.34 2irm h GLU 305 N 0.53 0.00 -0.11 0.04 4.39 -0.97 0.28 114.58 118.74 2irm h GLU 305 Ca 0.59 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 60.10 2irm h GLU 305 Cb 1.08 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.74 2irm h GLU 305 CO -0.48 0.30 -0.68 1.25 -1.16 0.00 0.00 179.01 178.25 2irm h LEU 306 N 0.00 0.79 0.00 1.33 5.85 0.12 -2.66 115.31 120.74 2irm h LEU 306 Ca -0.00 -0.65 0.00 0.00 0.84 0.00 0.00 57.88 58.07 2irm h LEU 306 Cb 0.96 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.76 2irm h LEU 306 CO 0.04 1.32 -0.28 0.52 -0.34 0.00 0.00 178.44 179.70 2irm n VAL 307 N -4.06 0.32 0.23 1.05 0.31 0.06 -1.14 118.33 115.10 2irm n VAL 307 Ca -0.08 -0.19 -0.10 0.00 -0.01 0.00 0.00 64.34 63.97 2irm n VAL 307 Cb 0.70 -0.30 -0.05 0.00 -0.91 0.00 0.00 33.84 33.28 2irm n VAL 307 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2irm h ARG 308 N 0.00 -0.61 -0.93 5.55 9.65 -0.56 -2.99 114.38 124.50 2irm h ARG 308 Ca 0.00 0.04 0.25 0.00 -1.10 0.00 0.00 59.98 59.17 2irm h ARG 308 Cb 0.66 0.14 -0.13 0.00 -1.39 0.00 0.00 29.97 29.24 2irm h ARG 308 CO 0.00 -0.41 0.41 1.98 2.80 0.00 0.00 179.97 184.75 2irm h MET 309 N -0.97 0.34 0.03 0.20 4.05 -1.21 0.49 114.93 117.86 2irm h MET 309 Ca -0.06 -0.02 -0.27 0.00 -0.28 0.00 0.00 59.70 59.06 2irm h MET 309 Cb 0.49 -0.08 0.02 0.00 -0.80 0.00 0.00 31.60 31.23 2irm h MET 309 CO 0.11 0.22 -1.09 -0.84 0.23 0.00 0.00 176.91 175.54 2irm h ILE 310 N 0.35 1.30 0.00 1.77 3.07 -1.28 -3.01 117.51 119.70 2irm h ILE 310 Ca 0.60 -2.34 -0.02 0.00 1.55 0.00 0.00 64.86 64.66 2irm h ILE 310 Cb 1.23 2.48 -0.00 0.00 -0.27 0.00 0.00 36.82 40.25 2irm h ILE 310 CO -0.58 0.72 -0.08 0.77 -1.05 0.00 0.00 178.15 177.93 2irm h SER 311 N 0.34 0.00 1.34 2.16 4.64 0.05 0.36 113.55 122.44 2irm h SER 311 Ca -0.14 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.08 2irm h SER 311 Cb 1.75 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.82 2irm h SER 311 CO 0.21 0.08 -0.48 -0.33 -0.87 0.00 0.00 176.83 175.43 2irm h GLU 312 N 0.00 0.00 0.01 4.77 5.08 -1.05 -3.35 114.58 120.04 2irm h GLU 312 Ca -0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 2irm h GLU 312 Cb 0.35 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2irm h GLU 312 CO 0.01 0.48 -1.05 1.49 -1.00 0.00 0.00 179.01 178.94 2irm h GLU 313 N 0.00 0.01 -0.28 2.33 4.57 -0.18 -3.26 114.58 117.77 2irm h GLU 313 Ca -0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2irm h GLU 313 Cb 1.28 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 2irm h GLU 313 CO 0.06 0.98 0.00 1.97 -1.18 0.00 0.00 179.01 180.85 2irm n PHE 314 N -3.34 0.36 0.02 0.92 -0.00 -0.72 0.41 117.46 115.10 2irm n PHE 314 Ca -0.01 -0.18 0.09 0.00 -0.00 0.00 0.00 57.45 57.35 2irm n PHE 314 Cb 0.95 -0.01 -0.12 0.00 -0.00 0.00 0.00 39.48 40.30 2irm n PHE 314 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 2irm n GLN 315 N 0.27 0.65 -0.05 3.97 6.02 -1.23 -4.66 117.38 122.34 2irm n GLN 315 Ca 0.09 -0.08 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 2irm n GLN 315 Cb 0.23 -1.62 -0.10 0.00 1.02 0.00 0.00 30.24 29.77 2irm n GLN 315 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2irm n ASN 316 N -2.43 1.79 -4.66 1.08 2.85 -0.79 -5.03 115.26 108.07 2irm n ASN 316 Ca -0.05 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.12 2irm n ASN 316 Cb 0.61 1.08 -0.09 0.00 1.24 0.00 0.00 39.78 42.62 2irm n ASN 316 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 2irm s GLN 317 N -2.53 2.06 0.00 1.20 -0.21 0.16 -5.09 119.66 115.26 2irm s GLN 317 Ca -0.06 -2.25 0.00 0.00 0.02 0.00 0.00 55.36 53.07 2irm s GLN 317 Cb 0.05 -1.52 0.00 0.00 1.00 0.00 0.00 33.01 32.55 2irm s GLN 317 CO 0.55 -0.23 0.00 0.45 -2.12 0.00 0.00 175.29 173.94 2irm n SER 318 N -1.12 2.01 -4.71 5.90 2.88 -1.26 -4.68 113.62 112.64 2irm n SER 318 Ca -0.12 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.00 2irm n SER 318 Cb 0.67 0.09 -0.03 0.00 -0.75 0.00 0.00 64.21 64.19 2irm n SER 318 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2irm s THR 319 N -1.46 4.36 0.17 2.46 -1.32 -1.26 -4.97 115.64 113.62 2irm s THR 319 Ca 0.00 1.69 -0.11 0.00 -1.21 0.00 0.00 61.69 62.06 2irm s THR 319 Cb 0.00 -4.08 0.06 0.00 -1.51 0.00 0.00 72.50 66.97 2irm s THR 319 CO 0.00 0.12 1.67 0.25 -2.21 0.00 0.00 174.62 174.45 2irm h LEU 320 N 6.92 0.88 -1.31 9.08 5.85 -1.96 -1.03 115.31 133.75 2irm h LEU 320 Ca -0.41 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.06 2irm h LEU 320 Cb 1.21 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 42.01 2irm h LEU 320 CO 0.80 0.89 -0.09 1.23 -0.34 0.00 0.00 178.44 180.93 2irm h GLY 321 N 0.83 0.00 0.71 3.75 0.00 -1.84 -2.52 103.07 104.00 2irm h GLY 321 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.41 2irm h GLY 321 CO 0.00 0.00 -0.34 -1.33 0.00 0.00 0.00 176.54 174.87 2irm h GLY 322 N 2.07 0.40 0.52 4.60 0.00 -1.60 -1.48 103.07 107.58 2irm h GLY 322 Ca -0.00 -0.56 0.06 0.00 0.00 0.00 0.00 47.33 46.83 2irm h GLY 322 CO 0.01 0.50 0.12 -2.08 0.00 0.00 0.00 176.54 175.09 2irm h VAL 323 N -0.11 0.81 -0.61 4.60 2.07 -1.13 -0.54 116.25 121.33 2irm h VAL 323 Ca -0.02 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 2irm h VAL 323 Cb 0.99 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 2irm h VAL 323 CO 0.07 0.05 0.22 0.00 0.02 0.00 0.00 177.57 177.93 2irm h ALA 324 N 1.32 0.80 0.00 1.67 0.00 -1.50 -2.45 119.26 119.10 2irm h ALA 324 Ca 0.21 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2irm h ALA 324 Cb 0.24 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2irm h ALA 324 CO -0.25 0.45 -0.16 1.96 0.00 0.00 0.00 179.25 181.24 2irm h GLN 325 N 0.87 0.00 0.20 0.00 1.08 -0.95 -2.56 115.11 113.75 2irm h GLN 325 Ca 0.20 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 57.08 2irm h GLN 325 Cb 0.25 0.00 0.04 0.00 -0.05 0.00 0.00 27.48 27.72 2irm h GLN 325 CO -0.01 0.16 -1.36 1.03 -0.95 0.00 0.00 178.83 177.70 2irm h SER 326 N 0.00 0.85 -0.09 1.46 0.87 -0.96 -2.48 113.55 113.19 2irm h SER 326 Ca -0.00 -0.89 -0.02 0.00 -1.23 0.00 0.00 61.79 59.66 2irm h SER 326 Cb 0.83 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.52 2irm h SER 326 CO 0.02 1.66 -0.01 0.58 -0.53 0.00 0.00 176.83 178.56 2irm h VAL 327 N 0.17 1.26 -0.27 2.23 2.07 -1.42 -1.23 116.25 119.06 2irm h VAL 327 Ca -0.23 -0.84 0.05 0.00 0.82 0.00 0.00 66.70 66.50 2irm h VAL 327 Cb 2.05 1.65 -0.05 0.00 -1.52 0.00 0.00 31.29 33.42 2irm h VAL 327 CO 0.26 0.24 -0.05 0.58 0.02 0.00 0.00 177.57 178.61 2irm h VAL 328 N -0.13 0.75 -0.18 2.57 2.07 -1.58 -2.40 116.25 117.35 2irm h VAL 328 Ca 0.03 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 2irm h VAL 328 Cb 0.37 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2irm h VAL 328 CO 0.01 0.00 0.06 -0.74 0.02 0.00 0.00 177.57 176.92 2irm h HIS 329 N 0.02 0.24 0.97 1.57 2.76 -1.21 -1.95 115.15 117.55 2irm h HIS 329 Ca 0.13 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.25 2irm h HIS 329 Cb 0.19 -0.08 0.01 0.00 1.55 0.00 0.00 27.41 29.08 2irm h HIS 329 CO -0.25 0.20 -0.47 0.00 -1.30 0.00 0.00 177.93 176.12 2irm h ARG 330 N 0.25 -1.25 -0.27 5.26 3.08 -0.75 -3.27 114.38 117.43 2irm h ARG 330 Ca 0.06 0.09 0.06 0.00 0.07 0.00 0.00 59.98 60.26 2irm h ARG 330 Cb 0.07 0.29 -0.06 0.00 0.08 0.00 0.00 29.97 30.34 2irm h ARG 330 CO -0.01 -0.84 -0.14 0.82 -1.07 0.00 0.00 179.97 178.74 2irm h ILE 331 N -1.35 0.58 -0.40 2.04 2.04 -0.94 0.26 117.51 119.74 2irm h ILE 331 Ca -0.13 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.79 2irm h ILE 331 Cb 1.00 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 2irm h ILE 331 CO 0.22 0.00 0.27 -0.37 0.00 0.00 0.00 178.15 178.27 2irm h VAL 332 N -0.10 0.95 0.00 1.67 -1.51 -1.48 1.12 116.25 116.90 2irm h VAL 332 Ca 0.14 -0.10 -0.19 0.00 -1.23 0.00 0.00 66.70 65.32 2irm h VAL 332 Cb 0.32 0.63 -0.03 0.00 -2.13 0.00 0.00 31.29 30.08 2irm h VAL 332 CO -0.34 0.05 -1.45 1.56 -1.23 0.00 0.00 177.57 176.17 2irm h GLN 333 N 0.30 0.00 -0.18 5.19 4.20 -1.48 -1.98 115.11 121.15 2irm h GLN 333 Ca 0.18 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 2irm h GLN 333 Cb 0.32 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 2irm h GLN 333 CO -0.04 0.33 0.04 0.00 -0.67 0.00 0.00 178.83 178.49 2irm h ALA 334 N 1.35 1.73 -0.03 3.87 0.00 0.15 0.11 119.26 126.43 2irm h ALA 334 Ca -0.18 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 2irm h ALA 334 Cb 1.66 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2irm h ALA 334 CO 0.05 0.21 -0.20 1.25 0.00 0.00 0.00 179.25 180.57 2irm h HIS 335 N 0.26 0.26 0.00 0.00 -0.00 0.12 -2.44 115.15 113.36 2irm h HIS 335 Ca 0.06 -0.12 -0.02 0.00 -0.00 0.00 0.00 60.37 60.30 2irm h HIS 335 Cb 0.11 -0.04 -0.00 0.00 -0.00 0.00 0.00 27.41 27.48 2irm h HIS 335 CO 0.00 0.84 -0.08 1.25 -0.00 0.00 0.00 177.93 179.94 2irm h HIS 336 N -0.39 0.00 -0.22 5.26 6.17 -1.19 -1.38 115.15 123.40 2irm h HIS 336 Ca -0.02 0.00 -0.15 0.00 0.71 0.00 0.00 60.37 60.91 2irm h HIS 336 Cb 0.87 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.80 2irm h HIS 336 CO 0.15 0.08 -0.45 -0.44 0.71 0.00 0.00 177.93 177.98 2irm h ASP 337 N 0.00 0.77 -0.84 3.26 3.32 -0.84 0.64 116.42 122.74 2irm h ASP 337 Ca -0.00 -0.55 -0.00 0.00 0.02 0.00 0.00 57.03 56.49 2irm h ASP 337 Cb 0.83 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.11 2irm h ASP 337 CO 0.01 1.18 0.51 0.74 -1.72 0.00 0.00 179.24 179.96 2irm h THR 338 N 0.39 1.24 -0.07 0.35 2.02 -1.07 0.98 112.91 116.75 2irm h THR 338 Ca 0.00 -0.52 -0.00 0.00 0.77 0.00 0.00 66.41 66.66 2irm h THR 338 Cb 1.06 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.52 2irm h THR 338 CO 0.10 0.25 0.03 0.22 0.37 0.00 0.00 175.52 176.48 2irm h TYR 339 N 1.16 0.11 0.00 3.16 5.03 -1.25 -2.25 116.97 122.93 2irm h TYR 339 Ca 0.30 -0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.53 2irm h TYR 339 Cb -0.04 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.19 2irm h TYR 339 CO -0.00 0.25 -0.33 0.52 -1.32 0.00 0.00 178.16 177.28 2irm h MET 340 N -0.06 0.00 -0.08 1.82 2.86 -0.36 -1.15 114.93 117.96 2irm h MET 340 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2irm h MET 340 Cb 0.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.85 2irm h MET 340 CO -0.00 0.33 0.00 0.94 1.06 0.00 0.00 176.91 179.23 2irm n GLN 341 N -3.60 1.66 -0.10 1.72 7.27 0.33 -1.32 117.38 123.34 2irm n GLN 341 Ca -0.01 -0.97 -0.14 0.00 0.07 0.00 0.00 57.00 55.95 2irm n GLN 341 Cb 0.45 -1.44 -0.14 0.00 2.41 0.00 0.00 30.24 31.53 2irm n GLN 341 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 2irm n LEU 342 N 0.18 1.60 0.16 1.69 7.94 -0.76 -3.93 117.00 123.88 2irm n LEU 342 Ca 0.18 -0.03 0.13 0.00 -1.11 0.00 0.00 56.01 55.17 2irm n LEU 342 Cb 0.33 -0.27 0.38 0.00 0.53 0.00 0.00 43.42 44.39 2irm n LEU 342 CO 0.15 0.72 0.87 1.62 -1.11 0.00 0.00 177.39 179.64 2irm h VAL 343 N 0.00 0.00 -0.09 1.96 3.04 -1.17 -3.19 116.25 116.80 2irm h VAL 343 Ca -0.54 -0.58 -0.20 0.00 -1.01 0.00 0.00 66.70 64.37 2irm h VAL 343 Cb 2.06 1.54 0.01 0.00 -2.01 0.00 0.00 31.29 32.89 2irm h VAL 343 CO -0.02 0.00 -0.73 -0.08 -1.01 0.00 0.00 177.57 175.73 2irm h GLU 344 N 0.00 0.65 0.00 4.17 4.57 -1.38 -3.45 114.58 119.14 2irm h GLU 344 Ca 0.00 -0.58 0.00 0.00 -1.18 0.00 0.00 59.36 57.60 2irm h GLU 344 Cb 0.73 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.45 2irm h GLU 344 CO 0.00 1.19 0.00 0.39 -1.18 0.00 0.00 179.01 179.41 2irm n GLU 345 N -4.05 2.00 -1.45 1.92 1.02 -1.20 -4.94 120.64 113.95 2irm n GLU 345 Ca -0.09 0.00 -0.48 0.00 -0.02 0.00 0.00 57.16 56.58 2irm n GLU 345 Cb 0.72 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 32.06 2irm n GLU 345 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2irm n HIS 346 N -0.34 1.34 -1.29 -0.32 8.25 -1.26 -4.78 115.22 116.82 2irm n HIS 346 Ca 0.00 0.32 -0.36 0.00 -0.26 0.00 0.00 57.72 57.42 2irm n HIS 346 Cb 0.00 -2.50 -0.08 0.00 1.12 0.00 0.00 29.99 28.53 2irm n HIS 346 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2irm n ARG 347 N 8.31 1.04 0.17 -0.41 1.74 -1.25 -4.72 116.66 121.54 2irm n ARG 347 Ca 0.47 -1.81 -0.07 0.00 -0.77 0.00 0.00 57.85 55.67 2irm n ARG 347 Cb 0.22 -3.16 -0.03 0.00 -1.02 0.00 0.00 32.46 28.47 2irm n ARG 347 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 2irm h SER 348 N 9.26 -0.39 -4.61 0.55 0.02 -1.87 -3.49 113.55 113.02 2irm h SER 348 Ca 0.29 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 2irm h SER 348 Cb 0.78 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.42 2irm h SER 348 CO 1.68 -0.19 -0.09 0.52 -1.14 0.00 0.00 176.83 177.61 2irm n VAL 349 N -3.68 -7.55 0.06 2.27 0.31 -1.26 -5.02 118.33 103.45 2irm n VAL 349 Ca -0.06 0.04 -0.03 0.00 -0.01 0.00 0.00 64.34 64.29 2irm n VAL 349 Cb 0.18 -5.97 -0.01 0.00 -0.91 0.00 0.00 33.84 27.13 2irm n VAL 349 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2irm h THR 350 N 0.59 0.00 -3.46 2.52 1.35 -1.99 -3.46 112.91 108.47 2irm h THR 350 Ca 0.00 -0.15 -0.47 0.00 -0.55 0.00 0.00 66.41 65.25 2irm h THR 350 Cb 0.92 0.00 0.06 0.00 -1.73 0.00 0.00 68.15 67.39 2irm h THR 350 CO 0.19 0.00 0.14 0.72 -0.25 0.00 0.00 175.52 176.31 2irm s PHE 351 N -2.36 3.13 0.00 4.73 -0.12 -1.26 -5.01 117.98 117.09 2irm s PHE 351 Ca -0.02 0.48 0.00 0.00 -0.05 0.00 0.00 56.93 57.34 2irm s PHE 351 Cb 0.00 -2.80 0.00 0.00 -0.63 0.00 0.00 43.02 39.60 2irm s PHE 351 CO 0.07 -0.91 0.13 0.27 -0.05 0.00 0.00 175.22 174.73 2irm n ASN 352 N -2.58 0.00 -3.23 1.98 2.04 -1.26 -5.00 115.26 107.21 2irm n ASN 352 Ca 0.05 -1.02 -0.14 0.00 -0.44 0.00 0.00 54.58 53.04 2irm n ASN 352 Cb 0.58 -0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.80 2irm n ASN 352 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 2irm s SER 353 N -0.02 0.79 -0.03 0.53 1.04 -1.26 -1.52 113.70 113.24 2irm s SER 353 Ca 0.00 -1.43 -0.01 0.00 0.48 0.00 0.00 55.95 54.98 2irm s SER 353 Cb 0.00 0.68 0.02 0.00 0.10 0.00 0.00 66.02 66.82 2irm s SER 353 CO 0.00 -1.34 0.06 -0.60 0.98 0.00 0.00 173.24 172.34 2irm s ARG 354 N -2.99 0.03 0.64 4.02 3.52 0.13 -4.93 118.95 119.37 2irm s ARG 354 Ca 0.29 0.15 0.00 0.00 -0.13 0.00 0.00 55.73 56.04 2irm s ARG 354 Cb -0.01 -0.10 0.08 0.00 -1.56 0.00 0.00 34.95 33.37 2irm s ARG 354 CO 0.19 -0.08 0.89 -0.51 -0.81 0.00 0.00 175.30 174.98 2irm s ASP 355 N 0.55 4.79 0.02 -2.12 1.01 -1.26 -0.64 116.67 119.02 2irm s ASP 355 Ca -0.04 -0.22 -0.30 0.00 0.71 0.00 0.00 52.55 52.70 2irm s ASP 355 Cb -0.06 -0.39 -0.08 0.00 1.01 0.00 0.00 42.92 43.40 2irm s ASP 355 CO -0.02 -1.52 1.90 -1.81 0.21 0.00 0.00 175.17 173.92 2irm s ASP 356 N -4.60 6.50 -0.07 0.27 1.01 -1.26 -4.21 116.67 114.30 2irm s ASP 356 Ca 0.62 2.58 -0.20 0.00 0.71 0.00 0.00 52.55 56.26 2irm s ASP 356 Cb -0.08 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 2irm s ASP 356 CO 0.42 -1.02 0.57 -0.69 0.21 0.00 0.00 175.17 174.65 2irm s VAL 357 N 4.34 5.08 -0.02 -1.27 1.01 0.29 -3.38 120.40 126.45 2irm s VAL 357 Ca 0.85 1.16 -0.00 0.00 0.00 0.00 0.00 61.98 63.99 2irm s VAL 357 Cb -0.41 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.09 2irm s VAL 357 CO 0.39 0.33 0.03 -0.89 0.00 0.00 0.00 175.10 174.95 2irm s THR 358 N 0.44 -0.04 -0.09 3.92 2.01 -1.26 -1.45 115.64 119.18 2irm s THR 358 Ca 0.30 0.14 0.02 0.00 0.31 0.00 0.00 61.69 62.47 2irm s THR 358 Cb -0.17 -0.06 0.01 0.00 0.01 0.00 0.00 72.50 72.29 2irm s THR 358 CO 0.14 0.06 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.77 2irm s LEU 359 N 0.72 1.66 -0.18 4.42 2.96 -0.14 -2.53 118.68 125.59 2irm s LEU 359 Ca -0.06 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.49 2irm s LEU 359 Cb -0.09 -0.97 0.02 0.00 0.50 0.00 0.00 46.19 45.66 2irm s LEU 359 CO -0.02 0.02 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.09 2irm s LEU 360 N 0.86 2.07 -0.35 -0.68 1.02 -0.67 -1.54 118.68 119.40 2irm s LEU 360 Ca -0.10 -0.64 -0.03 0.00 0.02 0.00 0.00 54.13 53.38 2irm s LEU 360 Cb -0.15 -1.41 0.07 0.00 0.02 0.00 0.00 46.19 44.71 2irm s LEU 360 CO 0.01 -0.02 0.10 -0.63 0.02 0.00 0.00 176.35 175.83 2irm s ILE 361 N 1.33 3.24 -0.22 -0.59 1.09 -0.62 -0.04 121.20 125.39 2irm s ILE 361 Ca 0.05 -1.60 -0.23 0.00 -1.10 0.00 0.00 60.65 57.76 2irm s ILE 361 Cb -0.13 -3.00 -0.01 0.00 -1.06 0.00 0.00 42.46 38.25 2irm s ILE 361 CO -0.12 -0.35 0.76 -0.60 -0.10 0.00 0.00 174.94 174.53 2irm s ARG 362 N 1.23 4.20 -0.22 2.79 6.06 -0.04 -1.26 118.95 131.72 2irm s ARG 362 Ca 0.01 0.84 -0.07 0.00 -2.50 0.00 0.00 55.73 54.00 2irm s ARG 362 Cb -0.21 -3.62 -0.04 0.00 0.06 0.00 0.00 34.95 31.15 2irm s ARG 362 CO -0.02 -0.41 0.07 1.21 -2.50 0.00 0.00 175.30 173.65 2irm s ASN 363 N 1.30 5.39 -0.18 -2.12 2.47 0.24 0.42 114.94 122.46 2irm s ASN 363 Ca 0.33 -0.06 -0.03 0.00 0.42 0.00 0.00 52.86 53.51 2irm s ASN 363 Cb -0.16 -1.95 -0.22 0.00 -1.45 0.00 0.00 41.25 37.48 2irm s ASN 363 CO 0.09 0.07 0.10 0.49 -3.72 0.00 0.00 177.10 174.13 2irm n PHE 364 N 4.26 0.70 -3.72 0.43 3.72 -0.11 -4.89 117.46 117.84 2irm n PHE 364 Ca -0.16 0.15 -0.26 0.00 -0.05 0.00 0.00 57.45 57.13 2irm n PHE 364 Cb 0.52 -1.09 -0.17 0.00 -0.94 0.00 0.00 39.48 37.80 2irm n PHE 364 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2irm s ASN 365 N -6.82 2.52 0.00 4.37 0.01 0.11 -5.02 114.94 110.12 2irm s ASN 365 Ca -0.28 -0.62 0.18 0.00 -0.71 0.00 0.00 52.86 51.43 2irm s ASN 365 Cb 0.08 -0.50 1.10 0.00 0.41 0.00 0.00 41.25 42.34 2irm s ASN 365 CO 0.69 -0.29 1.50 0.00 -1.51 0.00 0.00 177.10 177.49