#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1irp s ARG 2 N 0.00 1.61 0.00 2.12 6.06 -1.26 -4.71 118.95 122.77 1irp s ARG 2 Ca 0.00 -0.82 0.00 0.00 -2.50 0.00 0.00 55.73 52.41 1irp s ARG 2 Cb 0.00 -1.61 0.00 0.00 0.06 0.00 0.00 34.95 33.40 1irp s ARG 2 CO 0.00 0.43 0.00 -0.35 -2.50 0.00 0.00 175.30 172.88 1irp n PRO 3 N 2.31 1.33 0.00 5.12 -0.04 -1.25 -5.02 135.00 137.45 1irp n PRO 3 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1irp n PRO 3 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 1irp n PRO 3 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1irp n SER 4 N 0.00 0.00 0.00 3.54 7.64 -1.26 -4.91 113.62 118.63 1irp n SER 4 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1irp n SER 4 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1irp n SER 4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1irp n GLY 5 N 0.00 -2.21 3.54 0.23 0.00 -1.26 -4.80 105.19 100.69 1irp n GLY 5 Ca 0.00 -1.35 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 1irp n GLY 5 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1irp s ARG 6 N -4.01 3.84 0.20 1.61 3.52 -1.26 -4.92 118.95 117.93 1irp s ARG 6 Ca 0.00 -1.80 -0.10 0.00 -0.13 0.00 0.00 55.73 53.70 1irp s ARG 6 Cb 0.00 -5.33 -0.01 0.00 -1.56 0.00 0.00 34.95 28.05 1irp s ARG 6 CO 0.00 -2.10 0.35 -1.59 -0.81 0.00 0.00 175.30 171.15 1irp s LYS 7 N 3.82 1.32 -1.24 5.12 -2.85 -1.26 -5.09 119.74 119.56 1irp s LYS 7 Ca 0.47 -1.24 -0.17 0.00 -1.00 0.00 0.00 55.97 54.03 1irp s LYS 7 Cb 0.01 0.41 -0.01 0.00 -2.06 0.00 0.00 37.83 36.17 1irp s LYS 7 CO -0.01 -0.51 2.04 0.45 0.10 0.00 0.00 175.35 177.43 1irp n SER 8 N -0.29 3.67 -3.69 0.03 2.88 -1.26 -4.84 113.62 110.11 1irp n SER 8 Ca -0.04 -2.80 -0.11 0.00 -1.33 0.00 0.00 58.87 54.59 1irp n SER 8 Cb 0.63 -1.55 -0.11 0.00 -0.75 0.00 0.00 64.21 62.43 1irp n SER 8 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1irp s SER 9 N 4.08 -0.37 0.24 -3.46 1.04 -1.26 -5.16 113.70 108.81 1irp s SER 9 Ca 0.53 0.82 -0.30 0.00 0.48 0.00 0.00 55.95 57.47 1irp s SER 9 Cb 0.11 0.78 -0.09 0.00 0.10 0.00 0.00 66.02 66.92 1irp s SER 9 CO 0.01 -0.20 1.24 -0.75 0.98 0.00 0.00 173.24 174.52 1irp s LYS 10 N 1.61 4.46 0.52 4.02 2.20 -1.26 -5.02 119.74 126.26 1irp s LYS 10 Ca -0.08 2.00 -0.22 0.00 -0.36 0.00 0.00 55.97 57.31 1irp s LYS 10 Cb -0.10 -3.18 -0.06 0.00 -1.51 0.00 0.00 37.83 32.99 1irp s LYS 10 CO -0.12 -0.11 1.23 -1.64 -0.36 0.00 0.00 175.35 174.35 1irp s MET 11 N -0.75 3.40 -0.69 4.03 -1.94 -1.26 -5.01 119.30 117.07 1irp s MET 11 Ca 0.52 1.90 0.05 0.00 -1.71 0.00 0.00 55.69 56.45 1irp s MET 11 Cb -0.35 -2.24 0.17 0.00 2.01 0.00 0.00 34.83 34.41 1irp s MET 11 CO 0.41 -0.88 0.48 -1.14 -0.01 0.00 0.00 175.02 173.89 1irp s GLN 12 N -2.92 2.43 -0.25 2.03 0.74 -1.26 -4.81 119.66 115.61 1irp s GLN 12 Ca 0.69 -3.30 -0.04 0.00 0.05 0.00 0.00 55.36 52.76 1irp s GLN 12 Cb -0.32 -3.40 0.01 0.00 1.10 0.00 0.00 33.01 30.40 1irp s GLN 12 CO 0.37 -1.28 -0.02 0.00 -0.55 0.00 0.00 175.29 173.81 1irp s ALA 13 N -1.39 2.82 0.33 1.58 0.00 -1.26 -0.75 121.76 123.08 1irp s ALA 13 Ca 0.25 -1.34 -0.06 0.00 0.00 0.00 0.00 51.96 50.81 1irp s ALA 13 Cb -0.05 -1.79 -0.05 0.00 0.00 0.00 0.00 23.12 21.23 1irp s ALA 13 CO -0.16 -0.68 0.61 0.12 0.00 0.00 0.00 175.76 175.65 1irp s PHE 14 N 1.43 3.48 -0.02 0.00 5.36 0.50 -3.10 117.98 125.62 1irp s PHE 14 Ca 0.03 0.70 -0.03 0.00 -0.96 0.00 0.00 56.93 56.68 1irp s PHE 14 Cb -0.16 -2.16 0.00 0.00 -0.34 0.00 0.00 43.02 40.36 1irp s PHE 14 CO -0.03 0.09 0.07 0.50 -1.46 0.00 0.00 175.22 174.39 1irp s ARG 15 N -3.74 0.12 -0.03 10.12 6.06 -0.49 -2.04 118.95 128.95 1irp s ARG 15 Ca 0.45 0.03 0.02 0.00 -2.50 0.00 0.00 55.73 53.73 1irp s ARG 15 Cb -0.10 0.05 0.01 0.00 0.06 0.00 0.00 34.95 34.97 1irp s ARG 15 CO 0.32 -0.02 -0.07 0.96 -2.50 0.00 0.00 175.30 173.99 1irp s ILE 16 N -0.13 0.63 0.53 4.11 -0.00 -1.26 -1.28 121.20 123.79 1irp s ILE 16 Ca -0.02 -0.24 0.03 0.00 -0.00 0.00 0.00 60.65 60.42 1irp s ILE 16 Cb -0.01 -0.60 0.01 0.00 -0.00 0.00 0.00 42.46 41.86 1irp s ILE 16 CO 0.00 0.22 0.15 0.26 -0.00 0.00 0.00 174.94 175.57 1irp s TRP 17 N 0.49 1.76 0.13 1.37 0.52 -0.80 -1.76 118.94 120.65 1irp s TRP 17 Ca -0.07 -0.92 -0.22 0.00 0.02 0.00 0.00 56.10 54.91 1irp s TRP 17 Cb -0.11 -1.72 0.06 0.00 -1.15 0.00 0.00 33.47 30.55 1irp s TRP 17 CO 0.00 -0.04 0.55 0.16 0.02 0.00 0.00 176.95 177.64 1irp s ASP 18 N -4.03 -0.48 0.39 2.95 -4.77 0.14 -0.47 116.67 110.40 1irp s ASP 18 Ca 0.15 -0.03 0.00 0.00 -3.30 0.00 0.00 52.55 49.38 1irp s ASP 18 Cb 0.00 0.56 0.00 0.00 -1.09 0.00 0.00 42.92 42.39 1irp s ASP 18 CO 0.09 -0.90 0.00 0.52 0.70 0.00 0.00 175.17 175.58 1irp n VAL 19 N -0.21 0.00 0.00 2.11 0.31 -1.26 -1.86 118.33 117.42 1irp n VAL 19 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1irp n VAL 19 Cb 0.64 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.57 1irp n VAL 19 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1irp n ASN 20 N 5.60 0.00 -2.71 4.52 4.13 -1.26 -4.98 115.26 120.56 1irp n ASN 20 Ca 0.00 0.00 -0.01 0.00 1.68 0.00 0.00 54.58 56.25 1irp n ASN 20 Cb 0.00 0.00 0.10 0.00 -1.54 0.00 0.00 39.78 38.34 1irp n ASN 20 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1irp n GLN 21 N -0.41 1.48 -4.22 3.52 1.13 -1.22 -5.12 117.38 112.54 1irp n GLN 21 Ca 0.00 -2.11 -0.29 0.00 -1.94 0.00 0.00 57.00 52.65 1irp n GLN 21 Cb 0.00 -0.37 -0.10 0.00 0.11 0.00 0.00 30.24 29.89 1irp n GLN 21 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1irp s LYS 22 N -1.41 2.16 0.07 -1.09 1.02 -0.78 -4.87 119.74 114.85 1irp s LYS 22 Ca 0.16 -1.04 0.01 0.00 0.02 0.00 0.00 55.97 55.13 1irp s LYS 22 Cb 0.39 -2.31 -0.04 0.00 -0.52 0.00 0.00 37.83 35.36 1irp s LYS 22 CO -0.09 0.50 -0.06 0.95 -0.92 0.00 0.00 175.35 175.73 1irp s THR 23 N -1.29 0.54 -0.40 2.17 -4.23 0.48 -0.68 115.64 112.23 1irp s THR 23 Ca 0.22 -1.64 -0.19 0.00 -1.18 0.00 0.00 61.69 58.90 1irp s THR 23 Cb -0.11 -1.30 0.01 0.00 1.34 0.00 0.00 72.50 72.44 1irp s THR 23 CO 0.14 -0.75 0.57 0.12 -0.54 0.00 0.00 174.62 174.16 1irp s PHE 24 N -2.98 3.13 0.16 3.99 2.19 -0.72 -0.21 117.98 123.53 1irp s PHE 24 Ca 0.04 0.01 -0.17 0.00 0.33 0.00 0.00 56.93 57.14 1irp s PHE 24 Cb 0.01 -3.11 0.03 0.00 -1.31 0.00 0.00 43.02 38.64 1irp s PHE 24 CO -0.04 -0.71 0.45 1.52 1.83 0.00 0.00 175.22 178.27 1irp s TYR 25 N 2.56 -0.15 0.37 10.12 1.13 -0.91 -4.84 117.35 125.63 1irp s TYR 25 Ca 0.20 -0.18 -0.04 0.00 -1.41 0.00 0.00 57.07 55.64 1irp s TYR 25 Cb -0.15 0.31 -0.04 0.00 -1.10 0.00 0.00 41.96 40.97 1irp s TYR 25 CO 0.16 -0.79 0.63 -0.48 -2.51 0.00 0.00 175.55 172.56 1irp s LEU 26 N -2.84 3.91 -0.02 -3.49 2.34 -1.26 -0.63 118.68 116.69 1irp s LEU 26 Ca 0.06 0.73 -0.02 0.00 0.06 0.00 0.00 54.13 54.96 1irp s LEU 26 Cb 0.01 -3.60 -0.01 0.00 -0.56 0.00 0.00 46.19 42.03 1irp s LEU 26 CO -0.08 -0.35 -0.04 -1.14 -1.06 0.00 0.00 176.35 173.68 1irp n ARG 27 N -1.58 0.07 0.00 1.48 0.63 -0.41 -4.84 116.66 112.01 1irp n ARG 27 Ca -0.02 0.11 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 1irp n ARG 27 Cb 0.55 -0.71 0.00 0.00 0.45 0.00 0.00 32.46 32.75 1irp n ARG 27 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1irp n ASN 28 N -2.72 0.00 -2.65 6.15 2.85 -1.26 -4.95 115.26 112.68 1irp n ASN 28 Ca -0.02 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.14 1irp n ASN 28 Cb 0.06 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.10 1irp n ASN 28 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1irp n ASN 29 N -0.60 5.72 -3.70 1.20 3.02 -1.26 -4.91 115.26 114.72 1irp n ASN 29 Ca 0.00 -3.76 -0.13 0.00 -0.03 0.00 0.00 54.58 50.66 1irp n ASN 29 Cb 0.00 -0.68 -0.09 0.00 -0.61 0.00 0.00 39.78 38.40 1irp n ASN 29 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1irp s GLN 30 N -3.73 0.55 -0.35 3.52 -0.21 -1.26 -5.15 119.66 113.03 1irp s GLN 30 Ca 0.49 0.71 -0.15 0.00 0.02 0.00 0.00 55.36 56.43 1irp s GLN 30 Cb 0.41 0.23 -0.01 0.00 1.00 0.00 0.00 33.01 34.64 1irp s GLN 30 CO -0.27 -0.08 0.35 -0.51 -2.12 0.00 0.00 175.29 172.66 1irp s LEU 31 N 0.45 4.48 0.22 2.90 1.43 -1.26 -1.29 118.68 125.62 1irp s LEU 31 Ca -0.02 -0.29 0.06 0.00 -1.03 0.00 0.00 54.13 52.86 1irp s LEU 31 Cb -0.04 -2.32 -0.04 0.00 0.03 0.00 0.00 46.19 43.83 1irp s LEU 31 CO -0.02 -0.34 0.20 -0.69 0.23 0.00 0.00 176.35 175.73 1irp s VAL 32 N 1.99 4.59 0.23 -1.59 1.01 0.20 -1.66 120.40 125.17 1irp s VAL 32 Ca 0.11 -1.24 0.06 0.00 0.00 0.00 0.00 61.98 60.91 1irp s VAL 32 Cb -0.17 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1irp s VAL 32 CO 0.12 -0.27 0.22 0.00 0.00 0.00 0.00 175.10 175.16 1irp s ALA 33 N -2.00 3.65 0.00 5.51 0.00 -0.61 -2.13 121.76 126.17 1irp s ALA 33 Ca 0.33 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.95 1irp s ALA 33 Cb -0.09 -1.40 0.00 0.00 0.00 0.00 0.00 23.12 21.64 1irp s ALA 33 CO 0.25 0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.72 1irp n GLY 34 N -1.05 0.33 2.40 0.00 0.00 0.71 -2.79 105.19 104.78 1irp n GLY 34 Ca -0.08 0.54 -0.18 0.00 0.00 0.00 0.00 46.02 46.30 1irp n GLY 34 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1irp n TYR 35 N 0.00 -1.43 0.11 1.61 4.01 -0.62 -0.39 117.16 120.45 1irp n TYR 35 Ca 0.00 -2.92 -0.18 0.00 -0.16 0.00 0.00 57.90 54.64 1irp n TYR 35 Cb 0.00 0.35 -0.13 0.00 -0.31 0.00 0.00 39.34 39.25 1irp n TYR 35 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1irp h LEU 36 N 3.92 0.56 -8.79 7.72 6.46 -1.81 -3.46 115.31 119.91 1irp h LEU 36 Ca -0.01 -0.58 -0.69 0.00 -0.12 0.00 0.00 57.88 56.47 1irp h LEU 36 Cb 0.94 -0.18 -0.26 0.00 -0.73 0.00 0.00 40.66 40.43 1irp h LEU 36 CO 0.41 1.45 -0.81 -1.10 -0.62 0.00 0.00 178.44 177.76 1irp s GLN 37 N -2.72 2.39 0.59 1.25 -1.52 -1.26 -5.15 119.66 113.25 1irp s GLN 37 Ca -0.06 -0.78 -0.19 0.00 -1.95 0.00 0.00 55.36 52.39 1irp s GLN 37 Cb 0.06 -2.27 -0.04 0.00 -0.22 0.00 0.00 33.01 30.55 1irp s GLN 37 CO 0.90 0.59 1.21 0.20 -0.25 0.00 0.00 175.29 177.94 1irp s GLY 38 N -0.65 2.75 0.31 3.09 0.00 -1.26 -5.00 107.32 106.56 1irp s GLY 38 Ca 0.10 1.03 -0.29 0.00 0.00 0.00 0.00 44.72 45.56 1irp s GLY 38 CO 0.00 1.42 1.35 2.56 0.00 0.00 0.00 173.10 178.43 1irp s PRO 39 N -3.31 4.32 0.00 2.90 0.04 -1.26 -4.96 135.00 132.73 1irp s PRO 39 Ca 0.77 2.25 0.00 0.00 0.04 0.00 0.00 61.00 64.07 1irp s PRO 39 Cb -0.31 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1irp s PRO 39 CO 0.34 -0.27 0.00 -1.71 0.04 0.00 0.00 177.00 175.40 1irp n ASN 40 N 1.21 0.00 -0.20 6.66 2.85 -1.26 -5.15 115.26 119.37 1irp n ASN 40 Ca 0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.49 1irp n ASN 40 Cb 0.41 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.43 1irp n ASN 40 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1irp n VAL 41 N -0.39 -1.16 -2.95 3.44 0.31 -1.26 -4.95 118.33 111.36 1irp n VAL 41 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 1irp n VAL 41 Cb 0.00 -1.16 0.06 0.00 -0.91 0.00 0.00 33.84 31.83 1irp n VAL 41 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1irp n ASN 42 N -0.18 -2.13 0.20 4.52 5.15 -1.26 -4.91 115.26 116.64 1irp n ASN 42 Ca 0.00 -0.42 0.00 0.00 -0.60 0.00 0.00 54.58 53.56 1irp n ASN 42 Cb 0.00 -3.62 0.00 0.00 -0.53 0.00 0.00 39.78 35.63 1irp n ASN 42 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1irp n LEU 43 N -3.09 -3.04 -4.45 1.20 0.00 -1.26 -5.05 117.00 101.31 1irp n LEU 43 Ca -0.19 0.75 -0.43 0.00 0.00 0.00 0.00 56.01 56.14 1irp n LEU 43 Cb 0.61 2.90 -0.04 0.00 0.00 0.00 0.00 43.42 46.90 1irp n LEU 43 CO 0.41 0.00 0.79 -1.83 0.00 0.00 0.00 177.39 176.76 1irp s GLU 44 N -1.88 3.19 0.00 1.96 1.03 -1.26 -4.65 118.70 117.09 1irp s GLU 44 Ca 0.00 -1.01 0.00 0.00 0.03 0.00 0.00 54.97 53.99 1irp s GLU 44 Cb 0.00 -4.36 0.00 0.00 -0.80 0.00 0.00 34.13 28.97 1irp s GLU 44 CO 0.00 -1.80 0.00 0.39 -1.33 0.00 0.00 175.26 172.52 1irp n GLU 45 N 7.48 0.00 -3.76 -4.83 1.02 -1.26 -4.98 120.64 114.31 1irp n GLU 45 Ca 0.01 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.07 1irp n GLU 45 Cb 0.46 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.86 1irp n GLU 45 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1irp s LYS 46 N 0.00 1.65 0.03 3.49 2.20 -1.26 -5.09 119.74 120.77 1irp s LYS 46 Ca 0.00 -0.86 0.08 0.00 -0.36 0.00 0.00 55.97 54.83 1irp s LYS 46 Cb 0.00 0.60 -0.03 0.00 -1.51 0.00 0.00 37.83 36.89 1irp s LYS 46 CO 0.00 -0.75 -0.21 -1.50 -0.36 0.00 0.00 175.35 172.52 1irp s ILE 47 N -3.86 2.53 -0.08 5.43 2.07 -0.87 -2.02 121.20 124.40 1irp s ILE 47 Ca 0.09 -1.23 -0.19 0.00 -1.41 0.00 0.00 60.65 57.90 1irp s ILE 47 Cb -0.05 -2.02 -0.04 0.00 0.13 0.00 0.00 42.46 40.47 1irp s ILE 47 CO 0.02 0.37 0.54 -0.62 -1.91 0.00 0.00 174.94 173.34 1irp s ASP 48 N -1.29 6.80 0.26 4.50 -1.08 -0.34 -0.37 116.67 125.15 1irp s ASP 48 Ca 0.13 0.95 0.00 0.00 -0.52 0.00 0.00 52.55 53.11 1irp s ASP 48 Cb -0.10 -2.32 0.00 0.00 -1.46 0.00 0.00 42.92 39.04 1irp s ASP 48 CO 0.03 0.01 0.00 0.55 0.52 0.00 0.00 175.17 176.29 1irp n VAL 49 N 3.45 0.00 0.01 1.11 3.14 0.07 -0.18 118.33 125.92 1irp n VAL 49 Ca -0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 1irp n VAL 49 Cb 0.51 -0.12 0.00 0.00 -1.06 0.00 0.00 33.84 33.17 1irp n VAL 49 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 1irp n VAL 50 N -1.58 0.00 -3.66 1.55 0.31 -0.26 -4.14 118.33 110.54 1irp n VAL 50 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.12 1irp n VAL 50 Cb 0.16 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.08 1irp n VAL 50 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1irp s PRO 51 N -1.45 3.35 -0.03 5.55 0.04 -1.26 -0.94 135.00 140.25 1irp s PRO 51 Ca 0.00 -0.71 -0.03 0.00 0.04 0.00 0.00 61.00 60.30 1irp s PRO 51 Cb 0.00 -2.80 -0.02 0.00 0.04 0.00 0.00 34.50 31.72 1irp s PRO 51 CO 0.00 0.24 0.21 0.97 0.04 0.00 0.00 177.00 178.46 1irp h ILE 52 N 0.96 0.00 0.00 0.56 6.09 -1.43 -3.43 117.51 120.26 1irp h ILE 52 Ca -0.50 -0.38 0.00 0.00 -1.37 0.00 0.00 64.86 62.62 1irp h ILE 52 Cb 1.24 0.00 0.00 0.00 0.47 0.00 0.00 36.82 38.53 1irp h ILE 52 CO 0.59 0.00 0.00 1.21 -3.07 0.00 0.00 178.15 176.88 1irp n GLU 53 N -3.33 0.00 -1.25 2.19 2.13 -1.26 -4.88 120.64 114.24 1irp n GLU 53 Ca -0.01 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.44 1irp n GLU 53 Cb 0.04 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.72 1irp n GLU 53 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1irp n PRO 54 N -0.96 3.50 -0.63 5.31 -0.04 -1.26 -4.90 135.00 136.01 1irp n PRO 54 Ca 0.00 -2.12 0.04 0.00 -0.04 0.00 0.00 63.50 61.38 1irp n PRO 54 Cb 0.00 -2.77 -0.02 0.00 -0.04 0.00 0.00 33.50 30.67 1irp n PRO 54 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1irp n HIS 55 N 3.70 -1.71 -1.20 0.54 8.25 -1.26 -5.11 115.22 118.42 1irp n HIS 55 Ca 0.74 0.94 0.00 0.00 -0.26 0.00 0.00 57.72 59.14 1irp n HIS 55 Cb 0.22 -1.64 0.00 0.00 1.12 0.00 0.00 29.99 29.69 1irp n HIS 55 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1irp n ALA 56 N -2.46 -2.51 -2.00 -1.41 0.00 -1.26 -4.12 120.51 106.75 1irp n ALA 56 Ca -0.02 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1irp n ALA 56 Cb 0.24 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1irp n ALA 56 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1irp n LEU 57 N 0.68 0.00 0.00 0.00 7.94 -0.12 -1.55 117.00 123.96 1irp n LEU 57 Ca 0.00 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.86 1irp n LEU 57 Cb 0.00 0.00 0.02 0.00 0.53 0.00 0.00 43.42 43.97 1irp n LEU 57 CO 0.00 0.00 0.44 2.22 -1.11 0.00 0.00 177.39 178.94 1irp n PHE 58 N 0.00 -1.56 -4.61 1.96 1.16 -0.30 -0.83 117.46 113.29 1irp n PHE 58 Ca 0.00 -1.07 -0.28 0.00 -1.87 0.00 0.00 57.45 54.23 1irp n PHE 58 Cb 0.00 0.53 -0.09 0.00 -1.61 0.00 0.00 39.48 38.31 1irp n PHE 58 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1irp s LEU 59 N 0.00 2.23 0.00 5.98 1.02 -0.96 -1.10 118.68 125.85 1irp s LEU 59 Ca 0.13 -1.59 0.00 0.00 0.02 0.00 0.00 54.13 52.69 1irp s LEU 59 Cb -0.03 -0.46 0.00 0.00 0.02 0.00 0.00 46.19 45.72 1irp s LEU 59 CO 0.06 -0.80 0.00 0.61 0.02 0.00 0.00 176.35 176.24 1irp n GLY 60 N -1.01 2.43 7.00 -3.19 0.00 0.74 -1.08 105.19 110.08 1irp n GLY 60 Ca -0.10 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1irp n GLY 60 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1irp n ILE 61 N 0.00 0.00 0.00 -0.61 5.41 -0.24 -1.20 119.36 122.72 1irp n ILE 61 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1irp n ILE 61 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1irp n ILE 61 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 1irp n HIS 62 N 0.00 0.00 -3.52 1.39 -0.00 -0.86 -1.82 115.22 110.42 1irp n HIS 62 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.43 1irp n HIS 62 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 29.87 1irp n HIS 62 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1irp s GLY 63 N 0.00 1.20 -0.20 1.57 0.00 -1.26 -4.61 107.32 104.02 1irp s GLY 63 Ca 0.00 -2.25 -0.01 0.00 0.00 0.00 0.00 44.72 42.47 1irp s GLY 63 CO 0.00 1.94 0.17 0.61 0.00 0.00 0.00 173.10 175.82 1irp n GLY 64 N 3.56 0.48 3.46 0.20 0.00 -1.26 -4.55 105.19 107.08 1irp n GLY 64 Ca 0.16 -0.19 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 1irp n GLY 64 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1irp n LYS 65 N -1.75 -3.97 -2.65 1.61 0.00 -1.25 -4.81 118.16 105.34 1irp n LYS 65 Ca -0.02 0.75 -0.28 0.00 0.00 0.00 0.00 58.31 58.75 1irp n LYS 65 Cb 0.52 -5.46 -0.01 0.00 0.00 0.00 0.00 35.03 30.09 1irp n LYS 65 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 1irp s MET 66 N -5.25 3.60 -0.27 1.64 -1.94 -0.75 -1.73 119.30 114.60 1irp s MET 66 Ca 0.22 0.30 -0.12 0.00 -1.71 0.00 0.00 55.69 54.38 1irp s MET 66 Cb -0.04 -2.36 -0.05 0.00 2.01 0.00 0.00 34.83 34.39 1irp s MET 66 CO 0.77 -0.18 0.25 0.00 -0.01 0.00 0.00 175.02 175.85 1irp s LEU 68 N 1.71 3.01 0.00 0.00 1.02 -0.24 -1.01 118.68 123.16 1irp s LEU 68 Ca 0.10 -0.79 0.03 0.00 0.02 0.00 0.00 54.13 53.48 1irp s LEU 68 Cb -0.15 -1.64 -0.01 0.00 0.02 0.00 0.00 46.19 44.40 1irp s LEU 68 CO 0.09 -0.10 0.10 -1.54 0.02 0.00 0.00 176.35 174.92 1irp n SER 69 N 4.67 1.48 -4.44 2.29 3.41 -0.54 -2.25 113.62 118.25 1irp n SER 69 Ca -0.17 -2.73 -0.44 0.00 -0.26 0.00 0.00 58.87 55.27 1irp n SER 69 Cb 0.48 0.73 -0.02 0.00 -0.26 0.00 0.00 64.21 65.14 1irp n SER 69 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1irp s VAL 71 N 2.20 3.13 0.02 0.00 0.11 -0.81 -4.87 120.40 120.18 1irp s VAL 71 Ca 0.32 -0.71 0.06 0.00 -2.93 0.00 0.00 61.98 58.73 1irp s VAL 71 Cb -0.05 -2.24 -0.02 0.00 -1.53 0.00 0.00 36.38 32.54 1irp s VAL 71 CO -0.08 0.58 -0.18 -1.59 -3.33 0.00 0.00 175.10 170.50 1irp s LYS 72 N -0.76 1.34 -1.28 1.54 0.00 -1.26 -0.20 119.74 119.12 1irp s LYS 72 Ca 0.12 -0.78 -0.09 0.00 0.00 0.00 0.00 55.97 55.21 1irp s LYS 72 Cb -0.11 -1.37 0.17 0.00 0.00 0.00 0.00 37.83 36.53 1irp s LYS 72 CO 0.01 0.36 1.88 0.43 0.00 0.00 0.00 175.35 178.03 1irp n SER 73 N 2.19 5.16 0.00 0.03 7.64 -0.70 -4.77 113.62 123.17 1irp n SER 73 Ca -0.16 -3.12 0.00 0.00 1.01 0.00 0.00 58.87 56.60 1irp n SER 73 Cb 0.54 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 1irp n SER 73 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1irp n GLY 74 N 2.74 2.22 0.48 0.23 0.00 -1.26 -4.11 105.19 105.48 1irp n GLY 74 Ca 0.40 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 46.19 1irp n GLY 74 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1irp n ASP 75 N 4.33 1.61 -4.60 1.61 5.75 -1.26 -5.03 116.55 118.97 1irp n ASP 75 Ca 0.00 0.05 -0.43 0.00 -0.01 0.00 0.00 54.79 54.40 1irp n ASP 75 Cb 0.00 -0.21 -0.02 0.00 -1.03 0.00 0.00 41.12 39.85 1irp n ASP 75 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 1irp s GLU 76 N -2.16 3.48 -0.18 0.11 -1.05 -1.26 -4.97 118.70 112.67 1irp s GLU 76 Ca -0.12 1.04 -0.18 0.00 -0.15 0.00 0.00 54.97 55.57 1irp s GLU 76 Cb 0.04 -4.08 -0.04 0.00 -0.44 0.00 0.00 34.13 29.61 1irp s GLU 76 CO 0.17 -1.69 0.48 0.99 0.95 0.00 0.00 175.26 176.17 1irp s THR 77 N 5.93 5.14 0.20 1.83 2.01 -1.26 -1.73 115.64 127.76 1irp s THR 77 Ca 0.66 0.90 0.10 0.00 0.31 0.00 0.00 61.69 63.66 1irp s THR 77 Cb -0.16 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 1irp s THR 77 CO 0.32 0.23 -0.19 -0.13 -0.69 0.00 0.00 174.62 174.16 1irp s ARG 78 N 1.33 1.40 -1.05 4.92 3.00 0.72 -4.56 118.95 124.71 1irp s ARG 78 Ca 0.23 -1.52 -0.19 0.00 0.00 0.00 0.00 55.73 54.26 1irp s ARG 78 Cb -0.15 -1.47 0.12 0.00 0.00 0.00 0.00 34.95 33.45 1irp s ARG 78 CO 0.09 0.29 1.32 -1.17 0.00 0.00 0.00 175.30 175.84 1irp s LEU 79 N -2.91 4.59 0.29 2.53 0.20 -1.26 -1.93 118.68 120.19 1irp s LEU 79 Ca 0.20 -2.16 -0.19 0.00 0.69 0.00 0.00 54.13 52.67 1irp s LEU 79 Cb -0.05 -2.45 0.06 0.00 -0.43 0.00 0.00 46.19 43.32 1irp s LEU 79 CO 0.09 -1.10 0.89 -1.58 -0.29 0.00 0.00 176.35 174.36 1irp s GLN 80 N 3.10 1.78 0.09 1.98 -0.44 -0.51 -4.78 119.66 120.88 1irp s GLN 80 Ca 0.40 -1.13 0.00 0.00 -2.50 0.00 0.00 55.36 52.13 1irp s GLN 80 Cb -0.02 0.51 0.00 0.00 -1.64 0.00 0.00 33.01 31.86 1irp s GLN 80 CO -0.06 -0.83 0.00 -0.11 0.50 0.00 0.00 175.29 174.79 1irp n LEU 81 N -0.59 -0.81 -3.98 3.68 0.00 -0.18 -1.46 117.00 113.65 1irp n LEU 81 Ca -0.06 0.18 -0.10 0.00 0.00 0.00 0.00 56.01 56.03 1irp n LEU 81 Cb 0.60 1.14 -0.03 0.00 0.00 0.00 0.00 43.42 45.12 1irp n LEU 81 CO 0.23 -0.32 0.25 -0.70 0.00 0.00 0.00 177.39 176.84 1irp s GLU 82 N -1.19 1.77 -0.34 1.96 2.12 -0.93 -5.00 118.70 117.09 1irp s GLU 82 Ca 0.00 -1.40 -0.11 0.00 0.36 0.00 0.00 54.97 53.82 1irp s GLU 82 Cb 0.00 0.50 0.00 0.00 0.26 0.00 0.00 34.13 34.89 1irp s GLU 82 CO 0.00 -0.76 0.19 0.00 -0.54 0.00 0.00 175.26 174.15 1irp s ALA 83 N -3.48 3.32 0.02 6.30 0.00 -1.26 -0.68 121.76 125.98 1irp s ALA 83 Ca 0.23 -1.50 0.07 0.00 0.00 0.00 0.00 51.96 50.76 1irp s ALA 83 Cb -0.02 -2.52 -0.03 0.00 0.00 0.00 0.00 23.12 20.56 1irp s ALA 83 CO 0.12 -1.08 -0.20 0.54 0.00 0.00 0.00 175.76 175.14 1irp s VAL 84 N 1.62 2.66 -0.09 0.00 0.11 -0.71 -4.90 120.40 119.08 1irp s VAL 84 Ca 0.04 -1.14 -0.01 0.00 -2.93 0.00 0.00 61.98 57.94 1irp s VAL 84 Cb -0.18 -2.08 -0.03 0.00 -1.53 0.00 0.00 36.38 32.56 1irp s VAL 84 CO 0.07 0.41 -0.02 0.54 -3.33 0.00 0.00 175.10 172.77 1irp s ASN 85 N -1.21 5.05 -0.29 3.54 4.22 -1.26 -4.61 114.94 120.38 1irp s ASN 85 Ca 0.13 0.07 -0.29 0.00 -2.14 0.00 0.00 52.86 50.64 1irp s ASN 85 Cb -0.10 -1.44 -0.02 0.00 1.28 0.00 0.00 41.25 40.97 1irp s ASN 85 CO 0.03 0.35 1.73 -0.51 -2.04 0.00 0.00 177.10 176.66 1irp s ILE 86 N -0.71 3.55 0.00 0.54 1.10 -1.26 -4.49 121.20 119.93 1irp s ILE 86 Ca 0.11 0.58 0.00 0.00 -0.51 0.00 0.00 60.65 60.83 1irp s ILE 86 Cb -0.12 -3.66 0.00 0.00 0.15 0.00 0.00 42.46 38.83 1irp s ILE 86 CO 0.02 -0.37 0.00 1.07 -2.11 0.00 0.00 174.94 173.55 1irp n THR 87 N 7.05 0.00 0.00 4.00 5.66 -1.26 -5.06 114.28 124.66 1irp n THR 87 Ca 0.21 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.21 1irp n THR 87 Cb 0.46 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.24 1irp n THR 87 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1irp n ASP 88 N -0.24 0.00 -3.94 1.09 2.03 -1.26 -5.07 116.55 109.16 1irp n ASP 88 Ca 0.00 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.04 1irp n ASP 88 Cb 0.00 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 1irp n ASP 88 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1irp n LEU 89 N -1.45 -2.36 -3.41 -2.67 7.99 -1.26 -4.81 117.00 109.02 1irp n LEU 89 Ca 0.00 -0.95 -0.40 0.00 -0.01 0.00 0.00 56.01 54.66 1irp n LEU 89 Cb 0.00 -2.33 -0.02 0.00 -0.11 0.00 0.00 43.42 40.96 1irp n LEU 89 CO 0.00 0.41 3.11 -1.54 -1.51 0.00 0.00 177.39 177.86 1irp n SER 90 N -2.94 7.89 -3.24 -1.43 3.41 -1.26 -3.83 113.62 112.22 1irp n SER 90 Ca -0.22 -2.72 -0.22 0.00 -0.26 0.00 0.00 58.87 55.45 1irp n SER 90 Cb 0.64 -1.54 -0.07 0.00 -0.26 0.00 0.00 64.21 62.98 1irp n SER 90 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1irp n GLU 91 N 3.62 0.31 -0.11 4.33 1.02 -1.26 -4.99 120.64 123.56 1irp n GLU 91 Ca 0.71 -2.92 -0.18 0.00 -0.02 0.00 0.00 57.16 54.75 1irp n GLU 91 Cb 0.26 -1.59 -0.07 0.00 -0.02 0.00 0.00 31.44 30.02 1irp n GLU 91 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1irp n ASN 92 N 2.71 1.92 -3.19 1.62 5.15 -1.26 -4.75 115.26 117.46 1irp n ASN 92 Ca 0.26 0.38 -0.26 0.00 -0.60 0.00 0.00 54.58 54.37 1irp n ASN 92 Cb 0.50 -0.82 -0.06 0.00 -0.53 0.00 0.00 39.78 38.88 1irp n ASN 92 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1irp n ARG 93 N -4.39 2.43 -4.18 1.20 1.74 -1.26 -4.85 116.66 107.35 1irp n ARG 93 Ca -0.32 -4.45 -0.28 0.00 -0.77 0.00 0.00 57.85 52.03 1irp n ARG 93 Cb 0.66 -2.07 -0.08 0.00 -1.02 0.00 0.00 32.46 29.94 1irp n ARG 93 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1irp s LYS 94 N -2.70 2.43 0.94 5.56 2.20 -1.26 -5.14 119.74 121.77 1irp s LYS 94 Ca 0.43 -1.00 -0.11 0.00 -0.36 0.00 0.00 55.97 54.93 1irp s LYS 94 Cb 0.22 -2.42 0.16 0.00 -1.51 0.00 0.00 37.83 34.27 1irp s LYS 94 CO -0.08 0.49 1.10 -0.65 -0.36 0.00 0.00 175.35 175.85 1irp s GLN 95 N -2.64 0.89 0.80 4.03 -1.52 -1.26 -5.02 119.66 114.94 1irp s GLN 95 Ca 0.26 1.15 -0.12 0.00 -1.95 0.00 0.00 55.36 54.71 1irp s GLN 95 Cb -0.10 -1.74 0.08 0.00 -0.22 0.00 0.00 33.01 31.03 1irp s GLN 95 CO 0.18 -2.59 1.14 0.34 -0.25 0.00 0.00 175.29 174.11 1irp s ASP 96 N -2.96 3.91 0.21 5.90 2.15 -1.26 -5.09 116.67 119.53 1irp s ASP 96 Ca 0.65 2.10 -0.07 0.00 0.43 0.00 0.00 52.55 55.66 1irp s ASP 96 Cb -0.21 -2.56 -0.02 0.00 -0.30 0.00 0.00 42.92 39.83 1irp s ASP 96 CO 0.59 -2.44 0.30 -0.54 -0.17 0.00 0.00 175.17 172.90 1irp s LYS 97 N -4.50 1.34 0.00 4.34 1.02 -1.26 -5.06 119.74 115.62 1irp s LYS 97 Ca 0.67 -1.40 -0.04 0.00 0.02 0.00 0.00 55.97 55.21 1irp s LYS 97 Cb -0.22 0.37 -0.18 0.00 -0.52 0.00 0.00 37.83 37.27 1irp s LYS 97 CO 0.53 -0.50 2.82 2.89 -0.92 0.00 0.00 175.35 180.17 1irp n ARG 98 N -0.31 1.50 -0.41 1.68 1.85 -1.26 -3.30 116.66 116.40 1irp n ARG 98 Ca -0.01 -0.68 0.00 0.00 -1.00 0.00 0.00 57.85 56.16 1irp n ARG 98 Cb 0.64 -1.78 0.00 0.00 -1.05 0.00 0.00 32.46 30.27 1irp n ARG 98 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1irp n PHE 99 N 2.44 0.00 -3.86 2.89 3.72 -1.26 -4.63 117.46 116.76 1irp n PHE 99 Ca 0.29 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.48 1irp n PHE 99 Cb 0.69 0.11 -0.03 0.00 -0.94 0.00 0.00 39.48 39.31 1irp n PHE 99 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1irp s ALA 100 N 0.00 3.81 -0.01 4.37 0.00 -0.61 -4.35 121.76 124.97 1irp s ALA 100 Ca 0.00 -1.58 0.01 0.00 0.00 0.00 0.00 51.96 50.39 1irp s ALA 100 Cb 0.00 -1.25 0.01 0.00 0.00 0.00 0.00 23.12 21.88 1irp s ALA 100 CO 0.00 0.06 -0.04 -0.06 0.00 0.00 0.00 175.76 175.73 1irp s PHE 101 N -2.25 0.44 -0.25 0.00 0.40 -0.01 -1.46 117.98 114.84 1irp s PHE 101 Ca 0.39 -0.08 -0.04 0.00 -0.60 0.00 0.00 56.93 56.60 1irp s PHE 101 Cb -0.07 -0.35 0.00 0.00 0.51 0.00 0.00 43.02 43.12 1irp s PHE 101 CO 0.27 -0.06 -0.00 0.42 0.70 0.00 0.00 175.22 176.55 1irp s ILE 102 N 0.25 3.49 -0.51 0.64 1.01 -0.91 -1.93 121.20 123.23 1irp s ILE 102 Ca -0.02 -0.67 -0.16 0.00 0.00 0.00 0.00 60.65 59.79 1irp s ILE 102 Cb -0.06 -2.71 0.11 0.00 0.01 0.00 0.00 42.46 39.81 1irp s ILE 102 CO -0.00 0.25 0.46 -0.60 0.00 0.00 0.00 174.94 175.04 1irp s ARG 103 N 1.45 2.97 -0.28 2.79 3.00 -1.26 -0.93 118.95 126.71 1irp s ARG 103 Ca 0.03 -1.59 -0.21 0.00 -1.00 0.00 0.00 55.73 52.96 1irp s ARG 103 Cb -0.16 -4.23 0.08 0.00 0.00 0.00 0.00 34.95 30.64 1irp s ARG 103 CO -0.01 -1.22 0.74 0.45 0.00 0.00 0.00 175.30 175.26 1irp s SER 104 N 3.23 -0.79 0.00 -2.12 0.15 -1.00 -4.84 113.70 108.33 1irp s SER 104 Ca 0.03 1.40 0.00 0.00 0.70 0.00 0.00 55.95 58.09 1irp s SER 104 Cb -0.28 1.39 0.00 0.00 -1.71 0.00 0.00 66.02 65.42 1irp s SER 104 CO 0.04 -0.23 0.00 -0.67 1.20 0.00 0.00 173.24 173.58 1irp n ASP 105 N 3.28 0.00 -1.83 5.45 2.03 -1.18 -3.53 116.55 120.77 1irp n ASP 105 Ca -0.16 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 54.97 1irp n ASP 105 Cb 0.57 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 41.02 1irp n ASP 105 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1irp n SER 106 N 0.00 4.20 0.00 1.67 2.88 -1.26 -5.01 113.62 116.10 1irp n SER 106 Ca 0.00 -3.67 0.00 0.00 -1.33 0.00 0.00 58.87 53.87 1irp n SER 106 Cb 0.00 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.08 1irp n SER 106 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1irp n GLY 107 N -0.76 -0.44 2.25 0.46 0.00 -1.26 -5.03 105.19 100.41 1irp n GLY 107 Ca 0.38 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 1irp n GLY 107 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1irp n PRO 108 N 0.00 3.31 -3.28 1.61 -0.04 -1.26 -4.82 135.00 130.52 1irp n PRO 108 Ca 0.00 -1.97 -0.06 0.00 -0.04 0.00 0.00 63.50 61.43 1irp n PRO 108 Cb 0.00 -2.58 0.02 0.00 -0.04 0.00 0.00 33.50 30.90 1irp n PRO 108 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1irp n THR 109 N 3.17 0.00 -4.03 0.52 -1.04 -1.26 -4.84 114.28 106.80 1irp n THR 109 Ca 0.69 -0.73 -0.14 0.00 -2.04 0.00 0.00 64.05 61.84 1irp n THR 109 Cb 0.41 0.76 -0.03 0.00 -1.82 0.00 0.00 70.33 69.65 1irp n THR 109 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1irp s THR 110 N -2.24 0.00 -0.04 12.58 -1.32 0.21 -3.11 115.64 121.72 1irp s THR 110 Ca 0.14 -1.47 -0.30 0.00 -1.21 0.00 0.00 61.69 58.85 1irp s THR 110 Cb -0.04 -2.71 0.08 0.00 -1.51 0.00 0.00 72.50 68.32 1irp s THR 110 CO 0.08 0.00 0.72 -0.55 -2.21 0.00 0.00 174.62 172.66 1irp s SER 111 N -3.21 -0.61 -0.25 8.08 0.15 -1.23 -1.60 113.70 115.03 1irp s SER 111 Ca 0.27 0.59 -0.02 0.00 0.70 0.00 0.00 55.95 57.49 1irp s SER 111 Cb -0.02 0.51 0.02 0.00 -1.71 0.00 0.00 66.02 64.83 1irp s SER 111 CO 0.19 -0.61 -0.05 -0.36 1.20 0.00 0.00 173.24 173.61 1irp s PHE 112 N -1.47 3.07 0.68 3.44 0.08 -0.96 -2.37 117.98 120.43 1irp s PHE 112 Ca -0.08 -1.48 -0.11 0.00 0.12 0.00 0.00 56.93 55.38 1irp s PHE 112 Cb -0.00 -2.08 -0.00 0.00 -0.57 0.00 0.00 43.02 40.37 1irp s PHE 112 CO 0.06 -0.71 1.07 -1.21 -0.10 0.00 0.00 175.22 174.33 1irp s GLU 113 N 1.35 3.08 -0.05 0.44 2.02 -0.10 0.04 118.70 125.47 1irp s GLU 113 Ca 0.01 0.66 -0.15 0.00 0.02 0.00 0.00 54.97 55.52 1irp s GLU 113 Cb -0.17 -2.03 0.03 0.00 0.10 0.00 0.00 34.13 32.06 1irp s GLU 113 CO -0.04 -0.92 0.33 0.45 0.02 0.00 0.00 175.26 175.10 1irp s SER 114 N -4.16 -0.25 0.00 -0.19 0.15 0.05 -2.13 113.70 107.16 1irp s SER 114 Ca 0.57 0.28 0.00 0.00 0.70 0.00 0.00 55.95 57.50 1irp s SER 114 Cb -0.12 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1irp s SER 114 CO 0.53 -0.36 0.00 0.00 1.20 0.00 0.00 173.24 174.62 1irp n ALA 115 N 1.73 0.00 -2.71 5.45 0.00 -0.54 -1.93 120.51 122.51 1irp n ALA 115 Ca -0.19 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.21 1irp n ALA 115 Cb 0.56 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.04 1irp n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1irp n ALA 116 N 2.57 -2.86 0.00 0.00 0.00 -1.26 -1.58 120.51 117.38 1irp n ALA 116 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1irp n ALA 116 Cb 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.03 1irp n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1irp n PRO 118 N 0.00 1.18 0.00 0.00 -0.02 -1.26 -4.33 135.00 130.56 1irp n PRO 118 Ca 0.00 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1irp n PRO 118 Cb 0.00 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 30.94 1irp n PRO 118 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1irp n GLY 119 N 0.91 1.83 3.26 -1.23 0.00 -1.26 -4.47 105.19 104.23 1irp n GLY 119 Ca 0.15 -0.75 -0.10 0.00 0.00 0.00 0.00 46.02 45.32 1irp n GLY 119 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1irp s TRP 120 N 0.00 0.82 -0.16 1.61 0.51 -0.81 -4.89 118.94 116.02 1irp s TRP 120 Ca 0.00 -1.13 -0.01 0.00 -2.12 0.00 0.00 56.10 52.84 1irp s TRP 120 Cb 0.00 -0.34 0.04 0.00 -0.81 0.00 0.00 33.47 32.36 1irp s TRP 120 CO 0.00 -0.66 -0.03 -0.06 -0.51 0.00 0.00 176.95 175.69 1irp s PHE 121 N -4.07 1.50 -0.17 -1.98 0.08 0.04 -0.77 117.98 112.62 1irp s PHE 121 Ca 0.28 -0.97 -0.23 0.00 0.12 0.00 0.00 56.93 56.13 1irp s PHE 121 Cb 0.05 -1.22 -0.02 0.00 -0.57 0.00 0.00 43.02 41.26 1irp s PHE 121 CO 0.06 -0.59 0.70 -1.17 -0.10 0.00 0.00 175.22 174.12 1irp s LEU 122 N 1.70 4.18 0.30 -0.37 0.20 0.11 -0.92 118.68 123.88 1irp s LEU 122 Ca 0.01 1.00 -0.09 0.00 0.69 0.00 0.00 54.13 55.73 1irp s LEU 122 Cb -0.15 -3.03 0.00 0.00 -0.43 0.00 0.00 46.19 42.58 1irp s LEU 122 CO -0.07 -0.28 0.50 0.00 -0.29 0.00 0.00 176.35 176.21 1irp s THR 124 N -3.48 4.31 -0.08 0.00 2.01 -1.06 -1.86 115.64 115.48 1irp s THR 124 Ca 0.25 2.01 -0.03 0.00 0.31 0.00 0.00 61.69 64.23 1irp s THR 124 Cb -0.01 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.17 1irp s THR 124 CO 0.13 0.42 0.07 0.00 -0.69 0.00 0.00 174.62 174.55 1irp s ALA 125 N -0.65 3.55 -1.24 7.40 0.00 -0.76 -2.52 121.76 127.53 1irp s ALA 125 Ca 0.42 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.62 1irp s ALA 125 Cb -0.24 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.21 1irp s ALA 125 CO 0.30 0.62 0.00 -1.33 0.00 0.00 0.00 175.76 175.35 1irp n MET 126 N 1.87 -2.08 -0.15 0.00 2.81 -1.26 -4.23 117.12 114.08 1irp n MET 126 Ca -0.18 0.70 0.02 0.00 -1.81 0.00 0.00 57.70 56.43 1irp n MET 126 Cb 0.54 -5.31 -0.01 0.00 -0.71 0.00 0.00 33.22 27.73 1irp n MET 126 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1irp n GLU 127 N -2.84 -0.33 -0.36 0.03 1.02 -1.20 -4.68 120.64 112.27 1irp n GLU 127 Ca -0.17 0.25 -0.04 0.00 -0.02 0.00 0.00 57.16 57.18 1irp n GLU 127 Cb 0.63 -0.40 -0.05 0.00 -0.02 0.00 0.00 31.44 31.60 1irp n GLU 127 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1irp n ALA 128 N -2.46 3.05 -1.97 0.62 0.00 -1.26 -2.51 120.51 115.98 1irp n ALA 128 Ca -0.00 -0.56 -0.03 0.00 0.00 0.00 0.00 53.44 52.85 1irp n ALA 128 Cb 0.07 -2.09 -0.03 0.00 0.00 0.00 0.00 19.45 17.40 1irp n ALA 128 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1irp n ASP 129 N 2.52 -0.39 -3.90 0.00 5.68 -1.12 -1.59 116.55 117.75 1irp n ASP 129 Ca 0.13 -1.36 -0.21 0.00 -0.50 0.00 0.00 54.79 52.85 1irp n ASP 129 Cb 0.33 0.12 -0.09 0.00 -1.14 0.00 0.00 41.12 40.35 1irp n ASP 129 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1irp s GLN 130 N 0.00 1.75 0.35 0.11 1.11 -1.04 -4.58 119.66 117.36 1irp s GLN 130 Ca 0.00 -2.03 -0.29 0.00 0.01 0.00 0.00 55.36 53.05 1irp s GLN 130 Cb 0.00 -0.19 -0.11 0.00 -1.01 0.00 0.00 33.01 31.70 1irp s GLN 130 CO 0.00 -0.50 1.50 -1.25 0.01 0.00 0.00 175.29 175.04 1irp s PRO 131 N -3.70 4.14 -0.33 2.91 0.04 -1.26 -1.58 135.00 135.23 1irp s PRO 131 Ca 0.33 2.53 -0.12 0.00 0.04 0.00 0.00 61.00 63.77 1irp s PRO 131 Cb 0.04 -3.00 -0.02 0.00 0.04 0.00 0.00 34.50 31.56 1irp s PRO 131 CO 0.19 -0.52 0.22 0.54 0.04 0.00 0.00 177.00 177.46 1irp s VAL 132 N -0.79 5.17 0.00 -0.36 0.11 -0.66 -1.83 120.40 122.03 1irp s VAL 132 Ca 0.55 -0.21 0.00 0.00 -2.93 0.00 0.00 61.98 59.40 1irp s VAL 132 Cb -0.46 -3.63 0.00 0.00 -1.53 0.00 0.00 36.38 30.76 1irp s VAL 132 CO 0.58 0.03 0.00 -1.54 -3.33 0.00 0.00 175.10 170.84 1irp n SER 133 N 5.08 0.00 -4.78 3.54 3.41 -0.78 -4.78 113.62 115.31 1irp n SER 133 Ca -0.13 -0.95 -0.37 0.00 -0.26 0.00 0.00 58.87 57.16 1irp n SER 133 Cb 0.50 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.39 1irp n SER 133 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1irp s LEU 134 N 0.00 4.32 0.04 1.04 2.01 -1.26 -2.04 118.68 122.78 1irp s LEU 134 Ca 0.00 1.92 0.00 0.00 0.01 0.00 0.00 54.13 56.07 1irp s LEU 134 Cb 0.00 -4.01 -0.03 0.00 0.01 0.00 0.00 46.19 42.16 1irp s LEU 134 CO 0.00 -0.17 -0.04 0.42 1.01 0.00 0.00 176.35 177.57 1irp s THR 135 N -1.58 0.28 -0.01 5.49 -4.23 -0.09 -4.95 115.64 110.55 1irp s THR 135 Ca 0.51 -1.30 -0.19 0.00 -1.18 0.00 0.00 61.69 59.53 1irp s THR 135 Cb -0.21 -0.83 -0.33 0.00 1.34 0.00 0.00 72.50 72.48 1irp s THR 135 CO 0.26 -0.66 0.96 -0.55 -0.54 0.00 0.00 174.62 174.09 1irp h ASN 136 N 4.02 0.65 -5.04 3.99 -1.07 -1.90 0.17 115.58 116.39 1irp h ASN 136 Ca -0.34 -0.92 -0.11 0.00 0.07 0.00 0.00 56.30 55.00 1irp h ASN 136 Cb 1.18 -0.21 -0.18 0.00 -2.07 0.00 0.00 38.32 37.05 1irp h ASN 136 CO 0.51 1.52 -0.33 0.00 0.07 0.00 0.00 177.43 179.20 1irp s MET 137 N -2.58 0.71 0.45 4.14 0.23 -1.26 -4.73 119.30 116.26 1irp s MET 137 Ca -0.12 -0.50 -0.24 0.00 -1.03 0.00 0.00 55.69 53.81 1irp s MET 137 Cb 0.03 0.30 -0.08 0.00 -1.53 0.00 0.00 34.83 33.55 1irp s MET 137 CO 0.88 -0.21 1.18 -1.25 -2.03 0.00 0.00 175.02 173.59 1irp s PRO 138 N -2.27 3.81 0.00 3.16 0.04 -1.26 -5.08 135.00 133.41 1irp s PRO 138 Ca -0.07 1.83 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1irp s PRO 138 Cb -0.02 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 32.04 1irp s PRO 138 CO -0.02 -0.52 0.00 -3.47 0.04 0.00 0.00 177.00 173.03 1irp n ASP 139 N -0.35 0.00 -3.16 6.66 -0.08 -1.26 -5.09 116.55 113.27 1irp n ASP 139 Ca 0.06 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 53.12 1irp n ASP 139 Cb 0.47 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.87 1irp n ASP 139 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1irp n GLU 140 N 0.00 0.72 -1.27 -0.67 0.28 -1.26 -4.95 120.64 113.50 1irp n GLU 140 Ca 0.00 -3.11 0.00 0.00 -0.16 0.00 0.00 57.16 53.89 1irp n GLU 140 Cb 0.00 -1.24 0.00 0.00 1.43 0.00 0.00 31.44 31.63 1irp n GLU 140 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1irp n GLY 141 N 1.39 0.81 2.08 -1.84 0.00 -1.26 -5.03 105.19 101.35 1irp n GLY 141 Ca 0.20 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1irp n GLY 141 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1irp n VAL 142 N -1.09 0.00 -2.86 1.61 3.14 -1.26 -5.10 118.33 112.76 1irp n VAL 142 Ca 0.00 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 60.97 1irp n VAL 142 Cb 0.39 -0.27 -0.04 0.00 -1.06 0.00 0.00 33.84 32.86 1irp n VAL 142 CO 0.00 0.00 0.00 -0.04 -6.46 0.00 0.00 176.83 170.33 1irp s MET 143 N -2.00 4.49 -0.93 1.45 -1.94 -1.26 -3.28 119.30 115.84 1irp s MET 143 Ca 0.00 1.17 -0.20 0.00 -1.71 0.00 0.00 55.69 54.96 1irp s MET 143 Cb 0.00 -3.46 0.12 0.00 2.01 0.00 0.00 34.83 33.49 1irp s MET 143 CO 0.00 -0.03 1.16 0.08 -0.01 0.00 0.00 175.02 176.22 1irp s VAL 144 N 1.01 4.60 0.07 -6.03 1.01 -1.05 -4.86 120.40 115.15 1irp s VAL 144 Ca 0.45 -1.40 0.09 0.00 0.00 0.00 0.00 61.98 61.12 1irp s VAL 144 Cb -0.19 -4.81 -0.20 0.00 0.00 0.00 0.00 36.38 31.18 1irp s VAL 144 CO 0.23 -1.56 1.17 0.74 0.00 0.00 0.00 175.10 175.67 1irp h THR 145 N 5.97 1.48 -3.15 3.92 2.02 -1.94 -2.81 112.91 118.41 1irp h THR 145 Ca 0.14 -3.19 -0.58 0.00 0.77 0.00 0.00 66.41 63.54 1irp h THR 145 Cb 1.03 2.73 -0.06 0.00 -1.74 0.00 0.00 68.15 70.10 1irp h THR 145 CO 1.15 0.84 0.82 -0.54 0.37 0.00 0.00 175.52 178.17 1irp s LYS 146 N -2.71 4.20 -0.02 6.66 1.02 -1.26 -4.19 119.74 123.44 1irp s LYS 146 Ca 0.00 1.28 0.07 0.00 0.02 0.00 0.00 55.97 57.34 1irp s LYS 146 Cb 0.09 -3.67 -0.02 0.00 -0.52 0.00 0.00 37.83 33.71 1irp s LYS 146 CO 0.82 -0.72 -0.23 -0.06 -0.92 0.00 0.00 175.35 174.24 1irp s PHE 147 N 3.35 2.05 -0.45 3.18 0.08 -0.63 -4.77 117.98 120.80 1irp s PHE 147 Ca 0.45 -0.40 -0.28 0.00 0.12 0.00 0.00 56.93 56.81 1irp s PHE 147 Cb -0.14 -1.32 0.03 0.00 -0.57 0.00 0.00 43.02 41.01 1irp s PHE 147 CO 0.09 -0.05 1.08 0.71 -0.10 0.00 0.00 175.22 176.96 1irp s TYR 148 N -0.51 2.88 -0.05 0.36 2.02 0.38 -0.61 117.35 121.83 1irp s TYR 148 Ca 0.08 0.71 -0.30 0.00 -0.37 0.00 0.00 57.07 57.19 1irp s TYR 148 Cb -0.09 -4.23 -0.03 0.00 -0.40 0.00 0.00 41.96 37.20 1irp s TYR 148 CO -0.01 -1.16 1.15 0.12 -1.57 0.00 0.00 175.55 174.08 1irp s PHE 149 N 4.19 3.31 -0.29 2.71 5.36 -1.26 -1.90 117.98 130.09 1irp s PHE 149 Ca 0.45 1.32 -0.01 0.00 -0.96 0.00 0.00 56.93 57.73 1irp s PHE 149 Cb -0.08 -3.36 0.09 0.00 -0.34 0.00 0.00 43.02 39.33 1irp s PHE 149 CO 0.28 -1.03 0.09 -1.14 -1.46 0.00 0.00 175.22 171.96 1irp s GLN 150 N 1.96 0.68 -0.66 10.12 0.74 -0.40 -5.04 119.66 127.06 1irp s GLN 150 Ca 0.55 -0.94 -0.19 0.00 0.05 0.00 0.00 55.36 54.82 1irp s GLN 150 Cb -0.24 -1.93 0.11 0.00 1.10 0.00 0.00 33.01 32.04 1irp s GLN 150 CO 0.22 -0.94 0.82 -2.00 -0.55 0.00 0.00 175.29 172.85 1irp s GLU 151 N 1.69 3.16 -0.37 1.67 -6.30 -1.26 -1.40 118.70 115.88 1irp s GLU 151 Ca 0.08 -1.33 -0.26 0.00 -2.50 0.00 0.00 54.97 50.96 1irp s GLU 151 Cb -0.17 -4.35 0.04 0.00 0.00 0.00 0.00 34.13 29.65 1irp s GLU 151 CO -0.24 -1.62 0.49 -0.25 0.02 0.00 0.00 175.26 173.66 1irp n ASP 152 N 6.54 -3.97 0.00 -1.70 8.00 -1.18 -5.01 116.55 119.22 1irp n ASP 152 Ca -0.03 -0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.27 1irp n ASP 152 Cb 0.44 -1.18 0.00 0.00 -0.02 0.00 0.00 41.12 40.37 1irp n ASP 152 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02