#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1irp n ARG 2 N 0.00 -1.58 -2.17 2.12 3.00 -1.26 -4.59 116.66 112.17 1irp n ARG 2 Ca 0.00 1.21 -0.29 0.00 -0.00 0.00 0.00 57.85 58.78 1irp n ARG 2 Cb 0.00 -5.57 0.02 0.00 0.00 0.00 0.00 32.46 26.92 1irp n ARG 2 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1irp s PRO 3 N -3.49 3.17 -1.22 -0.14 0.04 -1.26 -4.94 135.00 127.15 1irp s PRO 3 Ca 0.16 0.34 -0.17 0.00 0.04 0.00 0.00 61.00 61.37 1irp s PRO 3 Cb -0.02 -2.18 0.11 0.00 0.04 0.00 0.00 34.50 32.46 1irp s PRO 3 CO 0.71 -0.68 1.56 -1.54 0.04 0.00 0.00 177.00 177.09 1irp s SER 4 N -4.26 6.90 0.00 6.66 1.04 -1.26 -4.87 113.70 117.91 1irp s SER 4 Ca 0.54 -2.58 0.00 0.00 0.48 0.00 0.00 55.95 54.39 1irp s SER 4 Cb -0.11 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1irp s SER 4 CO 0.49 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 174.31 1irp n GLY 5 N 4.98 0.85 0.17 7.32 0.00 -1.26 -4.72 105.19 112.54 1irp n GLY 5 Ca 0.41 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.24 1irp n GLY 5 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1irp h ARG 6 N 0.00 0.58 -5.41 1.61 2.43 -2.02 -3.43 114.38 108.13 1irp h ARG 6 Ca 0.00 -0.64 -0.61 0.00 -0.81 0.00 0.00 59.98 57.92 1irp h ARG 6 Cb 0.00 0.18 -0.12 0.00 -0.42 0.00 0.00 29.97 29.61 1irp h ARG 6 CO 0.00 1.24 0.04 0.21 -1.51 0.00 0.00 179.97 179.95 1irp s LYS 7 N -3.24 4.09 -0.90 0.20 2.20 -1.26 -5.03 119.74 115.80 1irp s LYS 7 Ca -0.11 0.40 -0.23 0.00 -0.36 0.00 0.00 55.97 55.66 1irp s LYS 7 Cb 0.05 -3.65 0.06 0.00 -1.51 0.00 0.00 37.83 32.79 1irp s LYS 7 CO 0.88 -0.36 1.31 0.45 -0.36 0.00 0.00 175.35 177.27 1irp s SER 8 N 1.50 6.40 -0.20 1.43 0.15 -1.26 -4.75 113.70 116.96 1irp s SER 8 Ca 0.23 -1.24 -0.28 0.00 0.70 0.00 0.00 55.95 55.36 1irp s SER 8 Cb -0.16 -2.53 0.12 0.00 -1.71 0.00 0.00 66.02 61.75 1irp s SER 8 CO 0.09 -1.52 0.96 -0.44 1.20 0.00 0.00 173.24 173.54 1irp s SER 9 N 4.32 -0.45 0.48 5.45 0.01 -1.26 -5.17 113.70 117.08 1irp s SER 9 Ca 0.39 0.66 -0.23 0.00 1.31 0.00 0.00 55.95 58.08 1irp s SER 9 Cb -0.05 0.60 -0.07 0.00 0.21 0.00 0.00 66.02 66.72 1irp s SER 9 CO -0.02 -0.29 1.20 -1.59 0.41 0.00 0.00 173.24 172.95 1irp s LYS 10 N -0.55 3.61 0.00 12.44 -2.85 -1.26 -4.73 119.74 126.40 1irp s LYS 10 Ca -0.01 1.86 0.00 0.00 -1.00 0.00 0.00 55.97 56.82 1irp s LYS 10 Cb -0.02 -2.36 0.00 0.00 -2.06 0.00 0.00 37.83 33.39 1irp s LYS 10 CO -0.00 -0.70 0.00 -1.33 0.10 0.00 0.00 175.35 173.42 1irp n MET 11 N -0.63 0.80 -3.80 1.78 2.81 -1.26 -5.05 117.12 111.76 1irp n MET 11 Ca 0.08 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.67 1irp n MET 11 Cb 0.48 0.00 -0.14 0.00 -0.71 0.00 0.00 33.22 32.85 1irp n MET 11 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 1irp s GLN 12 N 1.87 1.36 0.74 0.03 -0.44 -1.26 -5.06 119.66 116.89 1irp s GLN 12 Ca 0.00 -1.97 -0.11 0.00 -2.50 0.00 0.00 55.36 50.78 1irp s GLN 12 Cb 0.00 -2.59 0.03 0.00 -1.64 0.00 0.00 33.01 28.82 1irp s GLN 12 CO 0.00 -1.10 1.09 0.00 0.50 0.00 0.00 175.29 175.78 1irp s ALA 13 N 0.49 2.58 -0.16 1.58 0.00 -1.17 -1.97 121.76 123.12 1irp s ALA 13 Ca 0.15 -0.19 -0.25 0.00 0.00 0.00 0.00 51.96 51.68 1irp s ALA 13 Cb -0.23 -3.09 0.06 0.00 0.00 0.00 0.00 23.12 19.86 1irp s ALA 13 CO -0.05 -1.38 0.63 0.12 0.00 0.00 0.00 175.76 175.07 1irp s PHE 14 N -3.20 -0.64 0.02 0.00 5.36 0.48 -1.79 117.98 118.20 1irp s PHE 14 Ca 0.59 1.40 -0.07 0.00 -0.96 0.00 0.00 56.93 57.89 1irp s PHE 14 Cb -0.13 0.29 -0.00 0.00 -0.34 0.00 0.00 43.02 42.83 1irp s PHE 14 CO 0.54 -0.44 0.12 0.50 -1.46 0.00 0.00 175.22 174.48 1irp s ARG 15 N -0.32 0.52 -0.00 10.12 3.52 -0.52 -2.09 118.95 130.18 1irp s ARG 15 Ca -0.05 -0.52 0.00 0.00 -0.13 0.00 0.00 55.73 55.03 1irp s ARG 15 Cb -0.03 0.21 -0.00 0.00 -1.56 0.00 0.00 34.95 33.57 1irp s ARG 15 CO 0.04 -0.13 -0.01 0.96 -0.81 0.00 0.00 175.30 175.36 1irp s ILE 16 N -1.79 0.08 0.23 4.11 -4.36 -1.26 -1.88 121.20 116.32 1irp s ILE 16 Ca -0.12 -0.04 -0.07 0.00 -0.26 0.00 0.00 60.65 60.17 1irp s ILE 16 Cb -0.06 -0.08 0.03 0.00 1.25 0.00 0.00 42.46 43.61 1irp s ILE 16 CO -0.00 0.02 0.42 -2.67 0.24 0.00 0.00 174.94 172.95 1irp n TRP 17 N 3.07 -1.60 -3.80 1.37 4.27 -0.74 -1.73 117.44 118.29 1irp n TRP 17 Ca -0.12 -1.18 -0.13 0.00 -3.89 0.00 0.00 57.50 52.18 1irp n TRP 17 Cb 0.60 0.49 -0.13 0.00 -1.36 0.00 0.00 31.31 30.90 1irp n TRP 17 CO 0.00 0.00 0.00 0.16 -2.29 0.00 0.00 177.69 175.56 1irp s ASP 18 N -2.24 -0.13 0.00 -0.67 -4.77 0.09 -0.79 116.67 108.16 1irp s ASP 18 Ca 0.12 0.29 0.00 0.00 -3.30 0.00 0.00 52.55 49.65 1irp s ASP 18 Cb -0.02 0.25 0.00 0.00 -1.09 0.00 0.00 42.92 42.06 1irp s ASP 18 CO 0.09 -0.08 0.91 0.52 0.70 0.00 0.00 175.17 177.31 1irp n VAL 19 N 3.42 1.67 0.88 2.11 0.31 -1.26 -2.18 118.33 123.28 1irp n VAL 19 Ca -0.17 0.47 0.00 0.00 -0.01 0.00 0.00 64.34 64.63 1irp n VAL 19 Cb 0.57 -1.47 0.00 0.00 -0.91 0.00 0.00 33.84 32.03 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 -1.41 2.16 -2.64 4.52 4.13 -1.26 -4.80 115.26 115.95 1irp n ASN 20 Ca 0.00 -1.77 -0.09 0.00 1.68 0.00 0.00 54.58 54.40 1irp n ASN 20 Cb 0.05 -0.44 0.04 0.00 -1.54 0.00 0.00 39.78 37.89 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 0.42 -1.44 -3.75 3.52 6.02 -1.17 -5.08 117.38 115.90 1irp n GLN 21 Ca 0.00 0.60 -0.13 0.00 -0.01 0.00 0.00 57.00 57.46 1irp n GLN 21 Cb 0.38 -4.34 -0.10 0.00 1.02 0.00 0.00 30.24 27.19 1irp n GLN 21 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1irp s LYS 22 N -3.87 0.43 0.08 -1.09 1.02 -0.93 -4.52 119.74 110.86 1irp s LYS 22 Ca 0.29 0.52 -0.00 0.00 0.02 0.00 0.00 55.97 56.79 1irp s LYS 22 Cb -0.04 0.20 -0.04 0.00 -0.52 0.00 0.00 37.83 37.43 1irp s LYS 22 CO 0.49 -0.05 -0.03 0.95 -0.92 0.00 0.00 175.35 175.78 1irp s THR 23 N 0.23 0.38 -0.27 2.17 -4.23 0.22 -0.73 115.64 113.41 1irp s THR 23 Ca -0.00 -1.86 -0.17 0.00 -1.18 0.00 0.00 61.69 58.48 1irp s THR 23 Cb -0.03 -1.64 -0.03 0.00 1.34 0.00 0.00 72.50 72.15 1irp s THR 23 CO 0.00 -0.90 0.45 0.12 -0.54 0.00 0.00 174.62 173.75 1irp s PHE 24 N -3.83 3.25 0.33 3.99 5.36 -0.70 -0.67 117.98 125.71 1irp s PHE 24 Ca 0.11 0.50 -0.13 0.00 -0.96 0.00 0.00 56.93 56.45 1irp s PHE 24 Cb 0.07 -2.67 0.02 0.00 -0.34 0.00 0.00 43.02 40.11 1irp s PHE 24 CO -0.07 -0.28 0.64 1.52 -1.46 0.00 0.00 175.22 175.57 1irp s TYR 25 N 2.21 0.35 0.21 10.12 1.13 -1.14 -4.83 117.35 125.39 1irp s TYR 25 Ca 0.18 -0.82 0.10 0.00 -1.41 0.00 0.00 57.07 55.12 1irp s TYR 25 Cb -0.16 0.46 -0.05 0.00 -1.10 0.00 0.00 41.96 41.12 1irp s TYR 25 CO 0.10 -1.30 -0.19 -0.51 -2.51 0.00 0.00 175.55 171.14 1irp s LEU 26 N -3.08 2.50 -0.01 -3.49 1.02 -1.09 -1.69 118.68 112.85 1irp s LEU 26 Ca 0.20 -0.93 -0.01 0.00 0.02 0.00 0.00 54.13 53.41 1irp s LEU 26 Cb -0.03 -0.95 -0.00 0.00 0.02 0.00 0.00 46.19 45.22 1irp s LEU 26 CO 0.12 -0.00 -0.01 0.54 0.02 0.00 0.00 176.35 177.02 1irp n ARG 27 N -0.06 0.02 0.00 1.70 5.12 -1.26 -4.59 116.66 117.59 1irp n ARG 27 Ca -0.10 0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.84 1irp n ARG 27 Cb 0.58 -0.55 0.00 0.00 -1.16 0.00 0.00 32.46 31.33 1irp n ARG 27 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1irp n ASN 28 N -2.57 0.00 -3.19 0.55 2.85 -1.26 -4.96 115.26 106.68 1irp n ASN 28 Ca -0.01 0.00 -0.22 0.00 -0.11 0.00 0.00 54.58 54.24 1irp n ASN 28 Cb 0.02 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 40.99 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 -0.89 1.22 -3.77 1.20 3.02 -1.26 -4.92 115.26 109.86 1irp n ASN 29 Ca 0.00 -2.98 -0.13 0.00 -0.03 0.00 0.00 54.58 51.44 1irp n ASN 29 Cb 0.00 -0.63 -0.13 0.00 -0.61 0.00 0.00 39.78 38.42 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 -2.00 0.22 -0.99 3.52 -1.52 -1.26 -4.95 119.66 112.69 1irp s GLN 30 Ca 0.39 0.39 -0.21 0.00 -1.95 0.00 0.00 55.36 53.98 1irp s GLN 30 Cb 0.24 0.01 0.09 0.00 -0.22 0.00 0.00 33.01 33.13 1irp s GLN 30 CO -0.09 -0.09 1.30 -0.51 -0.25 0.00 0.00 175.29 175.65 1irp s LEU 31 N 0.63 4.28 0.33 2.90 1.43 -1.26 -4.00 118.68 122.99 1irp s LEU 31 Ca -0.04 -1.79 0.07 0.00 -1.03 0.00 0.00 54.13 51.34 1irp s LEU 31 Cb -0.06 -2.49 -0.02 0.00 0.03 0.00 0.00 46.19 43.66 1irp s LEU 31 CO -0.04 -1.27 0.41 -0.69 0.23 0.00 0.00 176.35 174.99 1irp s VAL 32 N 3.80 3.91 0.24 -1.59 1.01 -0.68 -2.02 120.40 125.07 1irp s VAL 32 Ca 0.40 -1.12 0.10 0.00 0.00 0.00 0.00 61.98 61.36 1irp s VAL 32 Cb -0.02 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 1irp s VAL 32 CO -0.09 -0.17 -0.11 0.00 0.00 0.00 0.00 175.10 174.73 1irp s ALA 33 N -2.22 2.92 0.00 5.51 0.00 -0.44 -2.90 121.76 124.64 1irp s ALA 33 Ca 0.43 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.73 1irp s ALA 33 Cb -0.08 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.46 1irp s ALA 33 CO 0.30 0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.81 1irp n GLY 34 N -0.44 1.37 2.68 0.00 0.00 0.16 -3.17 105.19 105.78 1irp n GLY 34 Ca -0.08 0.16 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 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 1.29 1.81 1.61 4.02 -1.26 -0.61 117.16 124.02 1irp n TYR 35 Ca 0.00 -2.68 0.11 0.00 -0.01 0.00 0.00 57.90 55.31 1irp n TYR 35 Cb 0.00 -0.34 0.63 0.00 -0.02 0.00 0.00 39.34 39.61 1irp n TYR 35 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 176.86 177.32 1irp n LEU 36 N -0.18 0.00 0.16 7.72 -0.00 -1.15 -4.56 117.00 118.99 1irp n LEU 36 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.11 1irp n LEU 36 Cb 0.81 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.23 1irp n LEU 36 CO 0.24 0.00 0.00 1.67 -0.00 0.00 0.00 177.39 179.30 1irp n GLN 37 N -0.87 0.00 0.00 1.47 7.27 -1.26 -5.02 117.38 118.98 1irp n GLN 37 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.23 1irp n GLN 37 Cb 0.07 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.72 1irp n GLN 37 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1irp n GLY 38 N -0.47 0.11 3.62 1.69 0.00 -1.26 -5.13 105.19 103.74 1irp n GLY 38 Ca 0.00 0.58 -0.43 0.00 0.00 0.00 0.00 46.02 46.17 1irp n GLY 38 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1irp s PRO 39 N 0.00 3.73 0.08 1.61 0.04 -1.26 -4.81 135.00 134.39 1irp s PRO 39 Ca 0.00 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.18 1irp s PRO 39 Cb 0.00 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.57 1irp s PRO 39 CO 0.00 -1.36 0.00 0.09 0.04 0.00 0.00 177.00 175.77 1irp n ASN 40 N 8.30 0.05 -3.67 6.66 3.02 -1.26 -4.97 115.26 123.39 1irp n ASN 40 Ca 0.16 0.13 -0.14 0.00 -0.03 0.00 0.00 54.58 54.70 1irp n ASN 40 Cb 0.47 0.07 -0.08 0.00 -0.61 0.00 0.00 39.78 39.63 1irp n ASN 40 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1irp s VAL 41 N -1.31 0.01 0.00 2.41 0.11 -1.26 -4.89 120.40 115.46 1irp s VAL 41 Ca 0.00 -0.08 0.00 0.00 -2.93 0.00 0.00 61.98 58.97 1irp s VAL 41 Cb 0.00 -0.77 0.00 0.00 -1.53 0.00 0.00 36.38 34.08 1irp s VAL 41 CO 0.00 -0.04 0.00 0.59 -3.33 0.00 0.00 175.10 172.32 1irp n ASN 42 N 2.19 0.00 0.29 3.54 5.03 -1.26 -4.55 115.26 120.50 1irp n ASN 42 Ca -0.16 0.00 -0.12 0.00 0.87 0.00 0.00 54.58 55.18 1irp n ASN 42 Cb 0.56 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 39.27 1irp n ASN 42 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1irp h LEU 43 N 0.00 -0.64 -8.23 3.41 -0.00 -1.93 -3.38 115.31 104.55 1irp h LEU 43 Ca 0.00 0.02 -0.75 0.00 -0.00 0.00 0.00 57.88 57.16 1irp h LEU 43 Cb 0.00 0.16 -0.23 0.00 -0.00 0.00 0.00 40.66 40.59 1irp h LEU 43 CO 0.00 -0.36 -0.29 -0.70 -0.00 0.00 0.00 178.44 177.08 1irp s GLU 44 N -4.23 2.98 0.00 1.13 2.12 -1.26 -2.67 118.70 116.76 1irp s GLU 44 Ca -0.11 -1.47 0.00 0.00 0.36 0.00 0.00 54.97 53.75 1irp s GLU 44 Cb 0.01 -4.19 0.00 0.00 0.26 0.00 0.00 34.13 30.22 1irp s GLU 44 CO 0.33 -1.13 0.00 -1.91 -0.54 0.00 0.00 175.26 172.01 1irp n GLU 45 N 5.22 0.00 -3.65 4.30 4.07 -1.26 -4.45 120.64 124.87 1irp n GLU 45 Ca -0.13 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 56.89 1irp n GLU 45 Cb 0.42 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.79 1irp n GLU 45 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 1irp s LYS 46 N 3.32 1.39 0.32 5.31 -2.85 -1.26 -4.99 119.74 120.98 1irp s LYS 46 Ca 0.00 -0.67 0.10 0.00 -1.00 0.00 0.00 55.97 54.40 1irp s LYS 46 Cb 0.00 0.54 -0.06 0.00 -2.06 0.00 0.00 37.83 36.25 1irp s LYS 46 CO 0.00 -0.63 -0.12 -1.50 0.10 0.00 0.00 175.35 173.20 1irp s ILE 47 N -3.64 2.42 -0.15 3.79 2.07 -0.89 -2.20 121.20 122.59 1irp s ILE 47 Ca 0.07 -2.25 0.01 0.00 -1.41 0.00 0.00 60.65 57.08 1irp s ILE 47 Cb -0.03 -2.54 0.00 0.00 0.13 0.00 0.00 42.46 40.02 1irp s ILE 47 CO -0.02 -0.28 -0.18 -0.62 -1.91 0.00 0.00 174.94 171.93 1irp s ASP 48 N -3.59 3.46 -0.02 4.50 2.15 0.52 -0.39 116.67 123.30 1irp s ASP 48 Ca 0.32 -0.51 0.05 0.00 0.43 0.00 0.00 52.55 52.84 1irp s ASP 48 Cb -0.01 -1.52 -0.01 0.00 -0.30 0.00 0.00 42.92 41.08 1irp s ASP 48 CO 0.16 0.09 -0.17 0.68 -0.17 0.00 0.00 175.17 175.77 1irp s VAL 49 N 0.76 1.36 -0.17 1.11 -7.23 -0.83 -0.68 120.40 114.72 1irp s VAL 49 Ca -0.07 -0.73 -0.04 0.00 -1.81 0.00 0.00 61.98 59.33 1irp s VAL 49 Cb -0.16 -1.13 -0.03 0.00 0.56 0.00 0.00 36.38 35.63 1irp s VAL 49 CO 0.00 0.38 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.46 1irp s VAL 50 N -0.35 3.87 0.17 1.32 1.01 -0.84 -4.72 120.40 120.86 1irp s VAL 50 Ca 0.05 -0.36 -0.30 0.00 0.00 0.00 0.00 61.98 61.37 1irp s VAL 50 Cb -0.07 -2.71 -0.07 0.00 0.00 0.00 0.00 36.38 33.53 1irp s VAL 50 CO -0.00 0.48 1.01 -2.16 0.00 0.00 0.00 175.10 174.42 1irp s PRO 51 N 0.55 4.70 -0.10 2.72 0.04 -1.26 -2.05 135.00 139.60 1irp s PRO 51 Ca -0.03 1.56 -0.20 0.00 0.04 0.00 0.00 61.00 62.38 1irp s PRO 51 Cb -0.14 -3.31 -0.17 0.00 0.04 0.00 0.00 34.50 30.92 1irp s PRO 51 CO 0.03 0.25 0.63 0.82 0.04 0.00 0.00 177.00 178.76 1irp h ILE 52 N 3.66 1.12 -3.25 0.56 2.04 -1.18 -3.48 117.51 116.98 1irp h ILE 52 Ca -0.44 -1.68 -0.45 0.00 1.00 0.00 0.00 64.86 63.30 1irp h ILE 52 Cb 1.21 2.04 -0.14 0.00 -0.74 0.00 0.00 36.82 39.19 1irp h ILE 52 CO 0.71 0.35 -0.58 -1.61 0.00 0.00 0.00 178.15 177.02 1irp s GLU 53 N -2.43 1.64 0.42 2.37 2.02 -1.17 -4.82 118.70 116.71 1irp s GLU 53 Ca -0.13 -1.93 0.18 0.00 0.02 0.00 0.00 54.97 53.11 1irp s GLU 53 Cb -0.01 -0.51 1.09 0.00 0.10 0.00 0.00 34.13 34.80 1irp s GLU 53 CO 0.47 -0.33 1.85 -1.35 0.02 0.00 0.00 175.26 175.92 1irp h PRO 54 N 2.13 0.39 0.00 0.39 0.11 -2.03 -2.80 132.00 130.19 1irp h PRO 54 Ca -0.38 -0.02 -0.27 0.00 0.11 0.00 0.00 66.00 65.44 1irp h PRO 54 Cb 1.25 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 1irp h PRO 54 CO 0.61 0.26 -1.55 1.12 -0.21 0.00 0.00 178.00 178.23 1irp h HIS 55 N 0.40 0.00 -3.02 0.65 2.07 -1.98 -3.49 115.15 109.79 1irp h HIS 55 Ca 0.48 0.00 -0.67 0.00 -2.85 0.00 0.00 60.37 57.33 1irp h HIS 55 Cb 1.22 0.00 -0.11 0.00 2.57 0.00 0.00 27.41 31.09 1irp h HIS 55 CO -0.00 0.96 -0.56 0.00 -3.07 0.00 0.00 177.93 175.26 1irp s ALA 56 N -2.65 3.57 0.06 6.11 0.00 -1.06 -0.42 121.76 127.38 1irp s ALA 56 Ca -0.03 -0.75 -0.23 0.00 0.00 0.00 0.00 51.96 50.94 1irp s ALA 56 Cb 0.08 -1.69 0.06 0.00 0.00 0.00 0.00 23.12 21.57 1irp s ALA 56 CO 0.82 0.62 0.56 -0.48 0.00 0.00 0.00 175.76 177.28 1irp s LEU 57 N -1.10 -0.25 -0.28 0.00 2.34 -0.81 -0.59 118.68 118.00 1irp s LEU 57 Ca 0.16 0.20 -0.24 0.00 0.06 0.00 0.00 54.13 54.31 1irp s LEU 57 Cb -0.12 2.28 0.09 0.00 -0.56 0.00 0.00 46.19 47.88 1irp s LEU 57 CO 0.05 -0.76 0.82 0.72 -1.06 0.00 0.00 176.35 176.12 1irp s PHE 58 N -2.60 -0.71 -1.86 3.48 -0.71 -0.87 -0.95 117.98 113.75 1irp s PHE 58 Ca -0.04 1.69 0.00 0.00 -1.04 0.00 0.00 56.93 57.53 1irp s PHE 58 Cb -0.01 0.34 0.00 0.00 -1.21 0.00 0.00 43.02 42.14 1irp s PHE 58 CO -0.03 -0.35 0.00 1.28 -1.34 0.00 0.00 175.22 174.79 1irp n LEU 59 N 2.75 0.00 0.00 -1.99 4.32 -1.03 -1.99 117.00 119.06 1irp n LEU 59 Ca -0.14 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.85 1irp n LEU 59 Cb 0.56 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.36 1irp n LEU 59 CO 0.02 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.80 1irp n GLY 60 N 0.00 4.20 0.00 -0.72 0.00 0.15 -0.31 105.19 108.51 1irp n GLY 60 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.91 -0.61 2.08 0.62 -0.35 119.36 119.18 1irp n ILE 61 Ca 0.00 0.00 -0.42 0.00 0.56 0.00 0.00 62.75 62.89 1irp n ILE 61 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 39.64 38.89 1irp n ILE 61 CO 0.00 0.00 0.00 1.57 0.56 0.00 0.00 176.55 178.68 1irp n HIS 62 N 0.00 3.16 -3.04 1.39 -0.00 -0.94 -2.35 115.22 113.44 1irp n HIS 62 Ca 0.00 -2.91 -0.18 0.00 0.46 0.00 0.00 57.72 55.08 1irp n HIS 62 Cb 0.00 -2.30 -0.03 0.00 -0.12 0.00 0.00 29.99 27.54 1irp n HIS 62 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1irp n GLY 63 N 3.46 1.99 2.22 1.57 0.00 -1.26 -4.70 105.19 108.46 1irp n GLY 63 Ca 0.51 -1.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 1irp n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1irp n GLY 64 N 1.37 0.15 3.31 -0.02 0.00 -1.26 -4.21 105.19 104.52 1irp n GLY 64 Ca 0.17 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.98 -1.48 0.00 1.61 3.00 -1.23 -3.66 118.16 114.42 1irp n LYS 65 Ca -0.06 1.12 0.00 0.00 -0.00 0.00 0.00 58.31 59.37 1irp n LYS 65 Cb 0.56 -4.93 0.00 0.00 0.00 0.00 0.00 35.03 30.66 1irp n LYS 65 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 1irp n MET 66 N -2.49 0.00 -5.06 1.64 1.56 -0.99 -1.72 117.12 110.06 1irp n MET 66 Ca -0.08 0.00 -0.32 0.00 -0.27 0.00 0.00 57.70 57.03 1irp n MET 66 Cb 0.57 0.00 -0.15 0.00 2.15 0.00 0.00 33.22 35.78 1irp n MET 66 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1irp s LEU 68 N -0.02 3.41 0.01 0.00 2.96 0.58 -0.79 118.68 124.83 1irp s LEU 68 Ca -0.06 -0.49 -0.02 0.00 -0.22 0.00 0.00 54.13 53.34 1irp s LEU 68 Cb -0.15 -1.84 -0.01 0.00 0.50 0.00 0.00 46.19 44.70 1irp s LEU 68 CO 0.05 -0.09 0.03 -0.44 -1.32 0.00 0.00 176.35 174.58 1irp s SER 69 N 1.51 0.12 -0.92 3.68 0.01 -0.92 -2.45 113.70 114.74 1irp s SER 69 Ca 0.04 -0.30 -0.22 0.00 1.31 0.00 0.00 55.95 56.78 1irp s SER 69 Cb -0.16 0.13 0.08 0.00 0.21 0.00 0.00 66.02 66.28 1irp s SER 69 CO 0.01 -0.27 1.27 0.00 0.41 0.00 0.00 173.24 174.66 1irp s VAL 71 N 4.21 0.62 -0.28 0.00 0.11 -0.19 -3.15 120.40 121.71 1irp s VAL 71 Ca 0.38 -1.57 -0.23 0.00 -2.93 0.00 0.00 61.98 57.62 1irp s VAL 71 Cb -0.04 -1.23 -0.01 0.00 -1.53 0.00 0.00 36.38 33.57 1irp s VAL 71 CO -0.05 -0.67 0.76 -1.59 -3.33 0.00 0.00 175.10 170.23 1irp s LYS 72 N -2.89 4.06 -0.06 1.54 0.00 -1.26 -2.66 119.74 118.47 1irp s LYS 72 Ca 0.03 0.68 -0.00 0.00 0.00 0.00 0.00 55.97 56.68 1irp s LYS 72 Cb -0.01 -3.69 -0.00 0.00 0.00 0.00 0.00 37.83 34.13 1irp s LYS 72 CO -0.03 -0.57 -0.00 0.66 0.00 0.00 0.00 175.35 175.41 1irp h SER 73 N 7.94 0.00 0.00 0.03 4.64 -1.94 -3.45 113.55 120.76 1irp h SER 73 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1irp h SER 73 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1irp h SER 73 CO 0.86 0.28 0.00 0.61 -0.87 0.00 0.00 176.83 177.71 1irp n GLY 74 N 1.87 1.21 0.00 -0.77 0.00 -1.26 -5.01 105.19 101.24 1irp n GLY 74 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1irp n GLY 74 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1irp n ASP 75 N -0.38 1.25 -4.72 1.61 2.03 -1.26 -5.09 116.55 109.98 1irp n ASP 75 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 1irp n ASP 75 Cb 0.00 0.17 -0.03 0.00 -0.72 0.00 0.00 41.12 40.53 1irp n ASP 75 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1irp s GLU 76 N -1.00 4.55 -0.45 -0.67 8.01 -1.26 -4.89 118.70 123.00 1irp s GLU 76 Ca 0.00 1.61 -0.25 0.00 0.01 0.00 0.00 54.97 56.34 1irp s GLU 76 Cb 0.00 -3.36 0.03 0.00 -4.31 0.00 0.00 34.13 26.48 1irp s GLU 76 CO 0.00 -0.04 0.88 0.99 0.01 0.00 0.00 175.26 177.10 1irp s THR 77 N 0.55 4.54 0.40 3.63 2.01 -1.26 -4.06 115.64 121.45 1irp s THR 77 Ca 0.53 0.69 0.04 0.00 0.31 0.00 0.00 61.69 63.26 1irp s THR 77 Cb -0.26 -4.39 -0.04 0.00 0.01 0.00 0.00 72.50 67.82 1irp s THR 77 CO 0.30 -0.77 0.06 0.00 -0.69 0.00 0.00 174.62 173.52 1irp s ARG 78 N 3.59 1.90 -0.61 4.92 3.03 -1.09 -4.89 118.95 125.80 1irp s ARG 78 Ca 0.35 -2.13 -0.28 0.00 2.03 0.00 0.00 55.73 55.70 1irp s ARG 78 Cb -0.11 -1.06 0.02 0.00 -1.03 0.00 0.00 34.95 32.77 1irp s ARG 78 CO 0.25 -0.29 1.36 -1.17 -1.13 0.00 0.00 175.30 174.32 1irp s LEU 79 N -3.64 3.35 -0.06 -1.89 2.96 -1.26 -1.02 118.68 117.11 1irp s LEU 79 Ca 0.26 0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 54.24 1irp s LEU 79 Cb 0.06 -2.94 -0.03 0.00 0.50 0.00 0.00 46.19 43.78 1irp s LEU 79 CO 0.13 -1.73 -0.00 -1.58 -1.32 0.00 0.00 176.35 171.85 1irp s GLN 80 N 5.53 2.92 -0.93 1.98 -0.44 -0.11 -4.96 119.66 123.64 1irp s GLN 80 Ca 0.47 -0.47 -0.11 0.00 -2.50 0.00 0.00 55.36 52.75 1irp s GLN 80 Cb -0.09 -2.75 0.24 0.00 -1.64 0.00 0.00 33.01 28.77 1irp s GLN 80 CO 0.22 0.68 0.89 -0.48 0.50 0.00 0.00 175.29 177.10 1irp s LEU 81 N -1.06 6.51 -0.60 3.68 2.34 -1.26 -2.16 118.68 126.12 1irp s LEU 81 Ca 0.15 -3.08 -0.28 0.00 0.06 0.00 0.00 54.13 50.98 1irp s LEU 81 Cb -0.11 -2.19 0.02 0.00 -0.56 0.00 0.00 46.19 43.35 1irp s LEU 81 CO 0.04 -0.44 1.39 -1.61 -1.06 0.00 0.00 176.35 174.67 1irp s GLU 82 N -0.45 3.26 -0.44 1.48 0.41 0.03 -4.74 118.70 118.25 1irp s GLU 82 Ca 0.23 0.30 -0.28 0.00 -0.41 0.00 0.00 54.97 54.81 1irp s GLU 82 Cb -0.10 -4.14 0.03 0.00 -1.78 0.00 0.00 34.13 28.13 1irp s GLU 82 CO -0.09 -2.01 1.09 0.00 -0.49 0.00 0.00 175.26 173.77 1irp s ALA 83 N 6.08 3.24 0.29 5.21 0.00 -1.24 -1.78 121.76 133.56 1irp s ALA 83 Ca 0.49 -0.43 0.02 0.00 0.00 0.00 0.00 51.96 52.04 1irp s ALA 83 Cb -0.10 -3.80 -0.03 0.00 0.00 0.00 0.00 23.12 19.19 1irp s ALA 83 CO 0.23 -2.05 0.27 0.08 0.00 0.00 0.00 175.76 174.29 1irp s VAL 84 N 4.17 0.00 0.60 0.00 1.01 -0.70 -4.99 120.40 120.48 1irp s VAL 84 Ca 0.46 -1.91 -0.16 0.00 0.00 0.00 0.00 61.98 60.36 1irp s VAL 84 Cb -0.09 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 1irp s VAL 84 CO 0.27 0.00 1.08 0.54 0.00 0.00 0.00 175.10 176.99 1irp s ASN 85 N -3.27 5.65 0.00 3.32 4.22 -1.26 -4.52 114.94 119.08 1irp s ASN 85 Ca 0.38 1.91 0.00 0.00 -2.14 0.00 0.00 52.86 53.01 1irp s ASN 85 Cb 0.03 -2.55 0.00 0.00 1.28 0.00 0.00 41.25 40.02 1irp s ASN 85 CO 0.21 -1.26 0.00 2.30 -2.04 0.00 0.00 177.10 176.31 1irp n ILE 86 N -1.96 0.00 -0.48 0.54 -5.35 -1.26 -4.59 119.36 106.25 1irp n ILE 86 Ca 0.09 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.57 1irp n ILE 86 Cb 0.52 -0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.12 1irp n ILE 86 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 1irp n THR 87 N -0.02 0.00 0.32 7.28 5.66 -1.26 -4.87 114.28 121.39 1irp n THR 87 Ca 0.00 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.87 1irp n THR 87 Cb 0.00 -0.48 -0.06 0.00 -1.55 0.00 0.00 70.33 68.23 1irp n THR 87 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 1irp h ASP 88 N 0.00 -0.73 -2.68 1.09 1.82 -1.97 -3.49 116.42 110.45 1irp h ASP 88 Ca 0.00 0.03 -0.38 0.00 -0.39 0.00 0.00 57.03 56.29 1irp h ASP 88 Cb 0.02 0.19 -0.02 0.00 0.68 0.00 0.00 39.33 40.20 1irp h ASP 88 CO 0.00 -0.34 -0.48 0.18 -1.61 0.00 0.00 179.24 176.99 1irp n LEU 89 N -5.35 -1.86 -4.88 2.28 4.32 -1.26 -5.00 117.00 105.26 1irp n LEU 89 Ca -0.11 -0.02 -0.30 0.00 -0.02 0.00 0.00 56.01 55.57 1irp n LEU 89 Cb 0.34 -2.70 -0.01 0.00 -1.62 0.00 0.00 43.42 39.43 1irp n LEU 89 CO 0.26 -0.20 0.55 -0.44 -1.22 0.00 0.00 177.39 176.34 1irp s SER 90 N -2.15 6.39 -0.13 -1.43 0.01 -1.26 -4.92 113.70 110.22 1irp s SER 90 Ca 0.00 1.22 -0.08 0.00 1.31 0.00 0.00 55.95 58.39 1irp s SER 90 Cb 0.00 -2.37 0.04 0.00 0.21 0.00 0.00 66.02 63.91 1irp s SER 90 CO 0.00 -0.60 0.31 -1.83 0.41 0.00 0.00 173.24 171.53 1irp s GLU 91 N -4.46 0.31 -0.29 12.44 -1.05 -1.26 -4.83 118.70 119.55 1irp s GLU 91 Ca 0.52 0.56 0.03 0.00 -0.15 0.00 0.00 54.97 55.93 1irp s GLU 91 Cb -0.10 0.01 0.08 0.00 -0.44 0.00 0.00 34.13 33.67 1irp s GLU 91 CO 0.41 -0.12 -0.04 1.21 0.95 0.00 0.00 175.26 177.67 1irp s ASN 92 N 0.90 4.45 0.00 0.83 3.84 -1.26 -5.04 114.94 118.65 1irp s ASN 92 Ca -0.06 -1.64 0.00 0.00 0.21 0.00 0.00 52.86 51.37 1irp s ASN 92 Cb -0.07 -1.49 0.00 0.00 -0.55 0.00 0.00 41.25 39.15 1irp s ASN 92 CO -0.06 -0.27 0.00 0.54 -2.79 0.00 0.00 177.10 174.51 1irp n ARG 93 N 4.43 0.00 -1.88 0.43 1.74 -1.26 -4.85 116.66 115.27 1irp n ARG 93 Ca -0.07 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.61 1irp n ARG 93 Cb 0.42 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.85 1irp n ARG 93 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1irp n LYS 94 N -0.46 4.13 -2.67 5.56 0.00 -1.26 -4.12 118.16 119.33 1irp n LYS 94 Ca 0.00 -3.13 -0.04 0.00 0.00 0.00 0.00 58.31 55.13 1irp n LYS 94 Cb 0.00 -2.76 0.04 0.00 0.00 0.00 0.00 35.03 32.31 1irp n LYS 94 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1irp n GLN 95 N 2.77 0.41 -2.27 1.64 7.27 -1.26 -5.19 117.38 120.76 1irp n GLN 95 Ca 0.62 -0.98 -0.27 0.00 0.07 0.00 0.00 57.00 56.43 1irp n GLN 95 Cb 0.27 -0.11 0.04 0.00 2.41 0.00 0.00 30.24 32.85 1irp n GLN 95 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1irp s ASP 96 N -0.44 5.46 0.00 1.69 2.15 -1.26 -5.05 116.67 119.23 1irp s ASP 96 Ca 0.11 0.77 0.00 0.00 0.43 0.00 0.00 52.55 53.86 1irp s ASP 96 Cb 0.18 -1.68 0.00 0.00 -0.30 0.00 0.00 42.92 41.13 1irp s ASP 96 CO -0.07 -1.19 0.00 0.29 -0.17 0.00 0.00 175.17 174.04 1irp n LYS 97 N -2.71 0.00 -3.90 4.34 5.02 -1.26 -5.04 118.16 114.61 1irp n LYS 97 Ca 0.05 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.06 1irp n LYS 97 Cb 0.58 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.47 1irp n LYS 97 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1irp s ARG 98 N 0.37 2.47 0.00 1.97 0.52 -1.26 -4.00 118.95 119.02 1irp s ARG 98 Ca 0.00 -3.32 0.00 0.00 -0.52 0.00 0.00 55.73 51.89 1irp s ARG 98 Cb 0.00 -3.44 0.00 0.00 0.52 0.00 0.00 34.95 32.03 1irp s ARG 98 CO 0.00 -1.28 0.00 1.19 0.02 0.00 0.00 175.30 175.23 1irp n PHE 99 N 2.02 0.00 -3.02 -0.53 3.72 -1.19 -4.19 117.46 114.28 1irp n PHE 99 Ca 0.19 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.28 1irp n PHE 99 Cb 0.35 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.84 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 -0.60 3.35 -0.21 4.37 0.00 -0.65 -2.59 121.76 125.43 1irp s ALA 100 Ca 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 51.96 51.87 1irp s ALA 100 Cb 0.00 -2.72 0.04 0.00 0.00 0.00 0.00 23.12 20.45 1irp s ALA 100 CO 0.00 0.17 -0.11 -0.59 0.00 0.00 0.00 175.76 175.23 1irp s PHE 101 N -2.17 2.55 -0.17 0.00 -0.71 -0.13 -1.63 117.98 115.73 1irp s PHE 101 Ca 0.52 -1.69 -0.06 0.00 -1.04 0.00 0.00 56.93 54.66 1irp s PHE 101 Cb -0.10 -1.69 -0.04 0.00 -1.21 0.00 0.00 43.02 39.98 1irp s PHE 101 CO 0.24 -0.77 0.03 0.42 -1.34 0.00 0.00 175.22 173.81 1irp s ILE 102 N 1.35 4.53 -0.83 -4.49 1.01 0.17 -1.92 121.20 121.03 1irp s ILE 102 Ca -0.02 -0.13 -0.25 0.00 0.00 0.00 0.00 60.65 60.25 1irp s ILE 102 Cb -0.17 -3.02 0.04 0.00 0.01 0.00 0.00 42.46 39.33 1irp s ILE 102 CO -0.08 0.48 1.30 0.00 0.00 0.00 0.00 174.94 176.64 1irp s ARG 103 N 0.29 3.33 -0.63 2.79 1.70 0.44 -1.41 118.95 125.46 1irp s ARG 103 Ca 0.02 -0.65 -0.20 0.00 -0.47 0.00 0.00 55.73 54.43 1irp s ARG 103 Cb -0.13 -4.60 0.10 0.00 -0.57 0.00 0.00 34.95 29.75 1irp s ARG 103 CO 0.01 -2.12 0.80 0.45 -1.08 0.00 0.00 175.30 173.36 1irp s SER 104 N 4.13 6.20 0.74 -2.89 0.15 -0.16 -4.89 113.70 116.99 1irp s SER 104 Ca 0.37 -1.33 -0.03 0.00 0.70 0.00 0.00 55.95 55.66 1irp s SER 104 Cb -0.06 -2.34 0.08 0.00 -1.71 0.00 0.00 66.02 61.99 1irp s SER 104 CO 0.05 -1.21 0.51 -0.67 1.20 0.00 0.00 173.24 173.12 1irp n ASP 105 N 6.75 0.37 0.00 5.45 -0.08 -1.26 -1.63 116.55 126.14 1irp n ASP 105 Ca -0.07 -1.39 0.00 0.00 -1.51 0.00 0.00 54.79 51.83 1irp n ASP 105 Cb 0.44 -0.36 0.00 0.00 2.34 0.00 0.00 41.12 43.53 1irp n ASP 105 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1irp n SER 106 N -3.14 0.00 0.00 1.67 7.64 -1.24 -4.87 113.62 113.67 1irp n SER 106 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1irp n SER 106 Cb 0.26 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 1irp n SER 106 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1irp n GLY 107 N 0.00 2.14 0.21 0.23 0.00 -1.26 -4.85 105.19 101.66 1irp n GLY 107 Ca 0.00 -0.74 0.08 0.00 0.00 0.00 0.00 46.02 45.36 1irp n GLY 107 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1irp h PRO 108 N 0.00 0.00 -2.86 1.61 0.13 -1.99 -3.46 132.00 125.43 1irp h PRO 108 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.00 1irp h PRO 108 Cb 0.00 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 30.89 1irp h PRO 108 CO 0.00 0.29 -0.29 0.95 -0.23 0.00 0.00 178.00 178.72 1irp s THR 109 N -3.65 0.00 0.52 1.56 -4.23 -1.26 -4.94 115.64 103.64 1irp s THR 109 Ca 0.00 -0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.57 1irp s THR 109 Cb 0.11 -0.51 0.05 0.00 1.34 0.00 0.00 72.50 73.48 1irp s THR 109 CO 0.66 -0.00 0.72 0.28 -0.54 0.00 0.00 174.62 175.74 1irp s THR 110 N 0.18 2.62 0.08 3.99 -1.32 -0.78 -3.73 115.64 116.68 1irp s THR 110 Ca -0.00 -0.87 0.01 0.00 -1.21 0.00 0.00 61.69 59.61 1irp s THR 110 Cb -0.03 -2.75 -0.04 0.00 -1.51 0.00 0.00 72.50 68.17 1irp s THR 110 CO 0.01 0.00 -0.05 -0.94 -2.21 0.00 0.00 174.62 171.42 1irp s SER 111 N -4.49 0.86 -0.44 8.08 1.04 -0.65 -1.16 113.70 116.94 1irp s SER 111 Ca 0.58 -0.97 -0.12 0.00 0.48 0.00 0.00 55.95 55.93 1irp s SER 111 Cb -0.09 0.13 0.08 0.00 0.10 0.00 0.00 66.02 66.25 1irp s SER 111 CO 0.37 -0.50 0.32 -0.36 0.98 0.00 0.00 173.24 174.05 1irp s PHE 112 N -3.58 3.31 0.64 5.02 0.08 -0.83 -0.98 117.98 121.64 1irp s PHE 112 Ca 0.08 -1.32 -0.11 0.00 0.12 0.00 0.00 56.93 55.70 1irp s PHE 112 Cb 0.05 -3.08 -0.03 0.00 -0.57 0.00 0.00 43.02 39.40 1irp s PHE 112 CO -0.06 -0.84 1.04 -1.21 -0.10 0.00 0.00 175.22 174.05 1irp s GLU 113 N 1.50 3.44 -0.12 0.44 2.02 -0.50 -1.65 118.70 123.83 1irp s GLU 113 Ca 0.03 0.76 -0.31 0.00 0.02 0.00 0.00 54.97 55.48 1irp s GLU 113 Cb -0.24 -2.06 0.12 0.00 0.10 0.00 0.00 34.13 32.06 1irp s GLU 113 CO 0.04 -0.69 1.02 -1.12 0.02 0.00 0.00 175.26 174.53 1irp s SER 114 N -4.14 -0.30 0.99 -0.19 0.01 0.89 -0.66 113.70 110.31 1irp s SER 114 Ca 0.56 0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.97 1irp s SER 114 Cb -0.11 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.40 1irp s SER 114 CO 0.54 -0.40 0.00 0.00 0.41 0.00 0.00 173.24 173.79 1irp n ALA 115 N 0.21 0.00 -0.08 1.44 0.00 -0.65 -1.98 120.51 119.45 1irp n ALA 115 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1irp n ALA 115 Cb 0.59 0.00 0.00 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 6.97 0.00 0.13 0.00 0.00 -1.26 -1.63 120.51 124.72 1irp n ALA 116 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1irp n ALA 116 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1irp n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1irp s PRO 118 N -4.63 4.10 -1.17 0.00 0.02 -1.26 -4.94 135.00 127.12 1irp s PRO 118 Ca -0.14 2.51 -0.10 0.00 0.02 0.00 0.00 61.00 63.29 1irp s PRO 118 Cb 0.02 -4.15 0.23 0.00 0.02 0.00 0.00 34.50 30.63 1irp s PRO 118 CO 0.56 -1.00 1.38 0.41 -0.33 0.00 0.00 177.00 178.03 1irp n GLY 119 N 4.54 4.09 3.85 0.52 0.00 -1.26 -4.26 105.19 112.67 1irp n GLY 119 Ca 0.20 -2.32 -0.37 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.21 3.64 -0.25 1.61 0.51 -0.84 -4.43 118.94 118.98 1irp s TRP 120 Ca 0.37 0.74 -0.13 0.00 -2.12 0.00 0.00 56.10 54.96 1irp s TRP 120 Cb -0.03 -2.13 0.08 0.00 -0.81 0.00 0.00 33.47 30.58 1irp s TRP 120 CO -0.01 0.65 0.60 -0.59 -0.51 0.00 0.00 176.95 177.08 1irp s PHE 121 N -0.90 -0.99 0.00 -1.98 -0.71 0.15 -0.08 117.98 113.48 1irp s PHE 121 Ca 0.19 1.93 0.00 0.00 -1.04 0.00 0.00 56.93 58.01 1irp s PHE 121 Cb -0.14 0.56 0.00 0.00 -1.21 0.00 0.00 43.02 42.22 1irp s PHE 121 CO 0.08 -0.51 0.00 -0.11 -1.34 0.00 0.00 175.22 173.34 1irp n LEU 122 N 4.58 0.00 0.00 -1.99 7.94 -0.66 -1.93 117.00 124.94 1irp n LEU 122 Ca -0.19 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.71 1irp n LEU 122 Cb 0.56 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.51 1irp n LEU 122 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.28 1irp s THR 124 N 0.42 0.08 0.51 0.00 2.01 -0.82 -1.12 115.64 116.73 1irp s THR 124 Ca 0.00 -0.68 -0.19 0.00 0.31 0.00 0.00 61.69 61.13 1irp s THR 124 Cb 0.00 -0.63 -0.11 0.00 0.01 0.00 0.00 72.50 71.77 1irp s THR 124 CO 0.00 -0.37 0.41 0.00 -0.69 0.00 0.00 174.62 173.97 1irp n ALA 125 N 1.17 -1.61 -0.11 7.40 0.00 -0.88 -1.66 120.51 124.82 1irp n ALA 125 Ca -0.21 0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.13 1irp n ALA 125 Cb 0.57 -1.73 -0.03 0.00 0.00 0.00 0.00 19.45 18.26 1irp n ALA 125 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1irp h MET 126 N 0.37 0.83 -7.33 0.00 4.05 -1.91 -3.41 114.93 107.52 1irp h MET 126 Ca -0.43 -0.42 -0.51 0.00 -0.28 0.00 0.00 59.70 58.06 1irp h MET 126 Cb 1.41 0.00 0.09 0.00 -0.80 0.00 0.00 31.60 32.30 1irp h MET 126 CO 0.47 1.05 0.37 -1.21 0.23 0.00 0.00 176.91 177.83 1irp s GLU 127 N -4.45 2.99 -0.45 0.39 8.01 -1.26 -5.00 118.70 118.93 1irp s GLU 127 Ca -0.12 0.96 -0.04 0.00 0.01 0.00 0.00 54.97 55.78 1irp s GLU 127 Cb 0.10 -2.00 0.06 0.00 -4.31 0.00 0.00 34.13 27.99 1irp s GLU 127 CO 0.85 -1.06 2.77 0.00 0.01 0.00 0.00 175.26 177.84 1irp n ALA 128 N -3.06 6.45 0.00 5.21 0.00 -1.26 -4.30 120.51 123.55 1irp n ALA 128 Ca 0.07 -3.04 0.00 0.00 0.00 0.00 0.00 53.44 50.48 1irp n ALA 128 Cb 0.53 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.84 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 0.88 0.00 -4.60 0.00 5.75 -1.19 -2.94 116.55 114.45 1irp n ASP 129 Ca 0.49 0.00 -0.29 0.00 -0.01 0.00 0.00 54.79 54.97 1irp n ASP 129 Cb 0.55 0.00 0.13 0.00 -1.03 0.00 0.00 41.12 40.78 1irp n ASP 129 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1irp s GLN 130 N -0.95 1.29 0.00 0.11 1.11 -1.26 -4.57 119.66 115.38 1irp s GLN 130 Ca 0.00 -0.02 0.00 0.00 0.01 0.00 0.00 55.36 55.35 1irp s GLN 130 Cb 0.00 -1.89 0.00 0.00 -1.01 0.00 0.00 33.01 30.11 1irp s GLN 130 CO 0.00 -2.03 0.00 -0.35 0.01 0.00 0.00 175.29 172.92 1irp n PRO 131 N -3.59 1.64 -2.49 2.91 -0.04 -1.26 -1.33 135.00 130.84 1irp n PRO 131 Ca 0.10 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.22 1irp n PRO 131 Cb 0.60 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.03 1irp n PRO 131 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1irp s VAL 132 N 1.11 3.66 -0.00 0.52 0.11 -0.85 -2.07 120.40 122.87 1irp s VAL 132 Ca 0.00 1.04 -0.26 0.00 -2.93 0.00 0.00 61.98 59.83 1irp s VAL 132 Cb 0.00 -3.42 0.06 0.00 -1.53 0.00 0.00 36.38 31.49 1irp s VAL 132 CO 0.00 -0.22 0.59 -0.55 -3.33 0.00 0.00 175.10 171.59 1irp s SER 133 N -1.92 -0.54 0.01 3.54 0.15 -0.27 -4.93 113.70 109.73 1irp s SER 133 Ca 0.68 0.44 0.02 0.00 0.70 0.00 0.00 55.95 57.79 1irp s SER 133 Cb -0.18 0.51 -0.01 0.00 -1.71 0.00 0.00 66.02 64.63 1irp s SER 133 CO 0.21 -0.66 -0.06 -0.76 1.20 0.00 0.00 173.24 173.18 1irp s LEU 134 N -1.56 2.09 0.04 3.45 1.43 -1.26 -1.13 118.68 121.75 1irp s LEU 134 Ca -0.09 -0.25 0.04 0.00 -1.03 0.00 0.00 54.13 52.81 1irp s LEU 134 Cb -0.01 -0.24 -0.02 0.00 0.03 0.00 0.00 46.19 45.95 1irp s LEU 134 CO 0.04 -0.02 -0.13 0.42 0.23 0.00 0.00 176.35 176.89 1irp s THR 135 N -0.54 1.00 -0.18 5.49 -4.23 -0.81 -4.74 115.64 111.63 1irp s THR 135 Ca -0.02 -1.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.77 1irp s THR 135 Cb -0.05 -0.93 0.37 0.00 1.34 0.00 0.00 72.50 73.23 1irp s THR 135 CO 0.00 -0.07 1.79 -0.55 -0.54 0.00 0.00 174.62 175.26 1irp h ASN 136 N 4.85 0.00 -2.09 3.99 7.08 -1.83 0.47 115.58 128.05 1irp h ASN 136 Ca -0.38 0.00 -0.50 0.00 -3.08 0.00 0.00 56.30 52.35 1irp h ASN 136 Cb 1.18 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 37.38 1irp h ASN 136 CO 0.43 0.00 -0.49 0.00 -2.08 0.00 0.00 177.43 175.29 1irp s MET 137 N -3.43 2.92 0.05 4.14 0.23 -1.26 -4.91 119.30 117.04 1irp s MET 137 Ca 0.04 -1.10 -0.24 0.00 -1.03 0.00 0.00 55.69 53.37 1irp s MET 137 Cb 0.07 -2.57 -0.11 0.00 -1.53 0.00 0.00 34.83 30.68 1irp s MET 137 CO 0.61 0.31 1.37 -1.35 -2.03 0.00 0.00 175.02 173.93 1irp h PRO 138 N 1.39 -0.65 -1.97 3.16 0.11 -1.90 -3.46 132.00 128.67 1irp h PRO 138 Ca -0.48 0.04 0.07 0.00 0.11 0.00 0.00 66.00 65.74 1irp h PRO 138 Cb 1.24 0.15 -0.20 0.00 0.11 0.00 0.00 31.00 32.30 1irp h PRO 138 CO 0.60 -0.43 -0.08 0.34 -0.21 0.00 0.00 178.00 178.22 1irp s ASP 139 N -3.62 -1.08 -0.44 -2.05 -1.08 -1.26 -4.95 116.67 102.19 1irp s ASP 139 Ca -0.12 1.54 0.05 0.00 -0.52 0.00 0.00 52.55 53.50 1irp s ASP 139 Cb 0.03 2.04 0.43 0.00 -1.46 0.00 0.00 42.92 43.96 1irp s ASP 139 CO 0.39 -0.22 1.30 -1.84 0.52 0.00 0.00 175.17 175.32 1irp n GLU 140 N 5.13 3.38 -1.85 4.34 -0.00 -1.26 -4.91 120.64 125.46 1irp n GLU 140 Ca -0.14 -4.20 -0.03 0.00 -0.00 0.00 0.00 57.16 52.79 1irp n GLU 140 Cb 0.52 -2.27 0.01 0.00 -0.00 0.00 0.00 31.44 29.71 1irp n GLU 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1irp n GLY 141 N -0.60 0.43 0.00 -1.84 0.00 -1.26 -5.10 105.19 96.82 1irp n GLY 141 Ca 0.44 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.80 0.00 -3.05 1.61 3.14 -1.26 -5.17 118.33 111.80 1irp n VAL 142 Ca -0.01 0.00 -0.22 0.00 -2.96 0.00 0.00 64.34 61.15 1irp n VAL 142 Cb 0.52 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 33.31 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 4.63 3.03 -0.30 1.45 -1.94 -1.26 -4.78 119.30 120.13 1irp s MET 143 Ca 0.00 -0.62 -0.29 0.00 -1.71 0.00 0.00 55.69 53.07 1irp s MET 143 Cb 0.00 -2.61 0.01 0.00 2.01 0.00 0.00 34.83 34.25 1irp s MET 143 CO 0.00 -0.24 1.09 0.08 -0.01 0.00 0.00 175.02 175.94 1irp s VAL 144 N -2.49 4.50 0.05 -6.03 1.01 -0.66 -4.83 120.40 111.95 1irp s VAL 144 Ca 0.48 1.74 0.10 0.00 0.00 0.00 0.00 61.98 64.31 1irp s VAL 144 Cb -0.10 -4.38 -0.12 0.00 0.00 0.00 0.00 36.38 31.78 1irp s VAL 144 CO 0.37 -0.44 1.35 0.00 0.00 0.00 0.00 175.10 176.38 1irp h THR 145 N 5.71 1.45 -3.30 3.92 1.03 -1.83 -2.18 112.91 117.70 1irp h THR 145 Ca -0.21 -2.98 -0.61 0.00 -0.01 0.00 0.00 66.41 62.61 1irp h THR 145 Cb 1.06 2.67 -0.13 0.00 -1.07 0.00 0.00 68.15 70.68 1irp h THR 145 CO 1.03 0.81 -0.51 -0.54 -0.01 0.00 0.00 175.52 176.29 1irp s LYS 146 N -2.84 4.12 0.30 0.00 1.02 -1.26 -4.04 119.74 117.04 1irp s LYS 146 Ca 0.02 -0.26 -0.01 0.00 0.02 0.00 0.00 55.97 55.74 1irp s LYS 146 Cb 0.09 -3.37 0.00 0.00 -0.52 0.00 0.00 37.83 34.04 1irp s LYS 146 CO 0.79 0.28 0.41 1.97 -0.92 0.00 0.00 175.35 177.88 1irp n PHE 147 N 3.58 -1.27 -3.59 3.18 -1.74 -0.31 -4.94 117.46 112.37 1irp n PHE 147 Ca -0.16 -2.08 -0.40 0.00 -0.56 0.00 0.00 57.45 54.25 1irp n PHE 147 Cb 0.52 0.46 -0.11 0.00 1.52 0.00 0.00 39.48 41.87 1irp n PHE 147 CO 0.00 0.00 0.00 0.71 -0.56 0.00 0.00 176.76 176.91 1irp s TYR 148 N -3.18 3.21 -0.17 2.97 2.02 0.03 -1.87 117.35 120.37 1irp s TYR 148 Ca 0.26 -0.59 -0.12 0.00 -0.37 0.00 0.00 57.07 56.24 1irp s TYR 148 Cb -0.01 -2.43 -0.05 0.00 -0.40 0.00 0.00 41.96 39.08 1irp s TYR 148 CO 0.19 -0.50 0.24 0.12 -1.57 0.00 0.00 175.55 174.03 1irp s PHE 149 N 1.63 3.46 -0.16 2.71 2.19 -1.26 -1.80 117.98 124.75 1irp s PHE 149 Ca 0.04 0.53 -0.04 0.00 0.33 0.00 0.00 56.93 57.79 1irp s PHE 149 Cb -0.18 -2.27 0.08 0.00 -1.31 0.00 0.00 43.02 39.34 1irp s PHE 149 CO 0.08 0.28 0.26 1.14 1.83 0.00 0.00 175.22 178.81 1irp s GLN 150 N 0.34 0.18 -0.72 10.12 -2.07 -0.79 -5.05 119.66 121.68 1irp s GLN 150 Ca 0.14 0.55 -0.26 0.00 -1.82 0.00 0.00 55.36 53.97 1irp s GLN 150 Cb -0.12 -0.45 0.04 0.00 -1.09 0.00 0.00 33.01 31.38 1irp s GLN 150 CO 0.02 -0.43 1.23 -1.83 -1.32 0.00 0.00 175.29 172.96 1irp s GLU 151 N 2.40 3.20 0.68 9.60 1.03 -1.26 -1.43 118.70 132.92 1irp s GLU 151 Ca 0.04 -0.28 -0.15 0.00 0.03 0.00 0.00 54.97 54.61 1irp s GLU 151 Cb -0.13 -4.17 0.01 0.00 -0.80 0.00 0.00 34.13 29.04 1irp s GLU 151 CO -0.10 -2.06 1.13 -0.51 -1.33 0.00 0.00 175.26 172.38 1irp s ASP 152 N 3.66 4.86 0.00 0.83 1.01 -0.74 -4.90 116.67 121.39 1irp s ASP 152 Ca 0.34 2.05 0.00 0.00 0.71 0.00 0.00 52.55 55.65 1irp s ASP 152 Cb -0.09 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.28 1irp s ASP 152 CO 0.15 -1.80 0.00 -1.84 0.21 0.00 0.00 175.17 171.89