#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 0.30 0.18 2.12 3.00 -1.26 -4.89 118.95 118.40 1irp s ARG 2 Ca 0.00 -0.22 -0.30 0.00 -1.00 0.00 0.00 55.73 54.21 1irp s ARG 2 Cb 0.00 -1.94 -0.08 0.00 0.00 0.00 0.00 34.95 32.93 1irp s ARG 2 CO 0.00 -0.66 1.22 -1.25 0.00 0.00 0.00 175.30 174.61 1irp s PRO 3 N 2.03 4.47 -0.02 5.12 0.04 -1.26 -4.15 135.00 141.22 1irp s PRO 3 Ca 0.01 1.90 -0.23 0.00 0.04 0.00 0.00 61.00 62.73 1irp s PRO 3 Cb -0.16 -3.24 -0.15 0.00 0.04 0.00 0.00 34.50 30.99 1irp s PRO 3 CO -0.09 -0.13 1.02 1.03 0.04 0.00 0.00 177.00 178.87 1irp h SER 4 N 5.38 -0.33 0.00 6.66 0.87 -1.85 -3.45 113.55 120.82 1irp h SER 4 Ca -0.44 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 59.91 1irp h SER 4 Cb 1.21 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 1irp h SER 4 CO 0.76 0.11 0.00 0.61 -0.53 0.00 0.00 176.83 177.77 1irp n GLY 5 N 0.08 1.84 3.65 5.77 0.00 -1.26 -4.86 105.19 110.40 1irp n GLY 5 Ca -0.09 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1irp n GLY 5 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1irp s ARG 6 N 0.00 4.17 -0.96 1.61 0.52 -1.26 -4.94 118.95 118.09 1irp s ARG 6 Ca 0.00 1.08 -0.29 0.00 -0.52 0.00 0.00 55.73 56.00 1irp s ARG 6 Cb 0.00 -3.67 -0.22 0.00 0.52 0.00 0.00 34.95 31.58 1irp s ARG 6 CO 0.00 -0.63 2.63 1.63 0.02 0.00 0.00 175.30 178.94 1irp n LYS 7 N 6.27 0.08 0.05 3.54 4.76 -1.26 -4.44 118.16 127.16 1irp n LYS 7 Ca 0.09 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 1irp n LYS 7 Cb 0.47 -1.61 0.00 0.00 -1.84 0.00 0.00 35.03 32.05 1irp n LYS 7 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1irp n SER 8 N 10.50 -0.82 -4.72 4.39 3.41 -1.26 -5.18 113.62 119.94 1irp n SER 8 Ca 0.64 0.18 -0.28 0.00 -0.26 0.00 0.00 58.87 59.16 1irp n SER 8 Cb 0.08 1.14 -0.08 0.00 -0.26 0.00 0.00 64.21 65.09 1irp n SER 8 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1irp s SER 9 N -1.20 4.20 0.29 4.04 1.04 -1.26 -5.18 113.70 115.63 1irp s SER 9 Ca 0.00 -1.31 0.00 0.00 0.48 0.00 0.00 55.95 55.12 1irp s SER 9 Cb 0.00 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.95 1irp s SER 9 CO 0.00 -0.63 0.00 2.29 0.98 0.00 0.00 173.24 175.88 1irp n LYS 10 N -1.20 1.07 -2.36 4.02 2.85 -1.26 -4.75 118.16 116.54 1irp n LYS 10 Ca -0.06 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.77 1irp n LYS 10 Cb 0.66 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 35.02 1irp n LYS 10 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1irp s MET 11 N -1.12 3.82 -1.05 -1.58 0.23 -1.26 -4.39 119.30 113.94 1irp s MET 11 Ca 0.00 1.25 -0.16 0.00 -1.03 0.00 0.00 55.69 55.75 1irp s MET 11 Cb 0.00 -3.94 0.16 0.00 -1.53 0.00 0.00 34.83 29.52 1irp s MET 11 CO 0.00 -1.24 1.25 -0.65 -2.03 0.00 0.00 175.02 172.34 1irp s GLN 12 N 4.41 3.84 -0.21 3.16 -0.21 -1.26 -4.92 119.66 124.46 1irp s GLN 12 Ca 0.60 -2.20 -0.12 0.00 0.02 0.00 0.00 55.36 53.65 1irp s GLN 12 Cb -0.17 -4.95 0.07 0.00 1.00 0.00 0.00 33.01 28.95 1irp s GLN 12 CO 0.26 -1.73 0.52 0.00 -2.12 0.00 0.00 175.29 172.22 1irp s ALA 13 N 1.97 -1.37 0.05 6.09 0.00 -1.26 -0.88 121.76 126.36 1irp s ALA 13 Ca 0.36 1.85 0.07 0.00 0.00 0.00 0.00 51.96 54.25 1irp s ALA 13 Cb -0.04 -1.10 -0.03 0.00 0.00 0.00 0.00 23.12 21.94 1irp s ALA 13 CO -0.05 -0.31 -0.18 0.12 0.00 0.00 0.00 175.76 175.34 1irp s PHE 14 N 1.38 2.54 0.17 0.00 5.36 0.13 -4.67 117.98 122.90 1irp s PHE 14 Ca -0.09 -0.26 -0.15 0.00 -0.96 0.00 0.00 56.93 55.46 1irp s PHE 14 Cb -0.07 -1.45 -0.07 0.00 -0.34 0.00 0.00 43.02 41.09 1irp s PHE 14 CO -0.14 0.26 0.59 1.03 -1.46 0.00 0.00 175.22 175.51 1irp s ARG 15 N -1.52 4.03 -0.07 10.12 0.52 -0.59 -0.90 118.95 130.55 1irp s ARG 15 Ca 0.15 0.57 -0.03 0.00 -0.52 0.00 0.00 55.73 55.90 1irp s ARG 15 Cb -0.10 -2.90 0.04 0.00 0.52 0.00 0.00 34.95 32.51 1irp s ARG 15 CO 0.06 0.44 0.15 0.96 0.02 0.00 0.00 175.30 176.93 1irp s ILE 16 N -1.50 -0.11 0.54 1.52 -4.36 -1.26 -1.38 121.20 114.65 1irp s ILE 16 Ca 0.40 0.23 0.03 0.00 -0.26 0.00 0.00 60.65 61.04 1irp s ILE 16 Cb -0.15 -0.26 0.02 0.00 1.25 0.00 0.00 42.46 43.33 1irp s ILE 16 CO 0.20 0.10 0.20 0.26 0.24 0.00 0.00 174.94 175.94 1irp s TRP 17 N 1.50 1.62 0.17 1.37 0.52 -0.23 -1.93 118.94 121.97 1irp s TRP 17 Ca -0.06 -0.95 -0.23 0.00 0.02 0.00 0.00 56.10 54.88 1irp s TRP 17 Cb -0.12 -1.73 0.06 0.00 -1.15 0.00 0.00 33.47 30.53 1irp s TRP 17 CO -0.06 -0.17 0.72 0.16 0.02 0.00 0.00 176.95 177.63 1irp s ASP 18 N -4.11 -0.40 0.13 2.95 -4.77 -0.45 -0.46 116.67 109.56 1irp s ASP 18 Ca 0.16 -0.23 0.00 0.00 -3.30 0.00 0.00 52.55 49.18 1irp s ASP 18 Cb -0.01 0.59 0.00 0.00 -1.09 0.00 0.00 42.92 42.41 1irp s ASP 18 CO 0.10 -1.02 0.00 0.52 0.70 0.00 0.00 175.17 175.47 1irp n VAL 19 N -0.39 0.00 -3.35 2.11 0.31 -1.26 -1.85 118.33 113.89 1irp n VAL 19 Ca -0.11 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 63.97 1irp n VAL 19 Cb 0.62 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.47 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 2.91 1.47 -1.30 4.52 4.13 -1.26 -4.93 115.26 120.81 1irp n ASN 20 Ca 0.00 -2.93 -0.14 0.00 1.68 0.00 0.00 54.58 53.19 1irp n ASN 20 Cb 0.00 -0.65 -0.04 0.00 -1.54 0.00 0.00 39.78 37.56 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 1.47 -1.03 -2.30 3.52 6.02 -1.14 -5.04 117.38 118.89 1irp n GLN 21 Ca 0.25 0.84 -0.35 0.00 -0.01 0.00 0.00 57.00 57.73 1irp n GLN 21 Cb 0.47 -5.01 -0.00 0.00 1.02 0.00 0.00 30.24 26.71 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 -3.86 3.44 -0.01 -1.09 1.02 -0.77 -4.87 119.74 113.58 1irp s LYS 22 Ca 0.00 1.59 0.07 0.00 0.02 0.00 0.00 55.97 57.64 1irp s LYS 22 Cb 0.00 -2.04 -0.02 0.00 -0.52 0.00 0.00 37.83 35.26 1irp s LYS 22 CO 0.00 -0.78 -0.21 0.95 -0.92 0.00 0.00 175.35 174.39 1irp s THR 23 N -1.78 1.68 -0.46 2.17 -4.23 0.09 -1.34 115.64 111.76 1irp s THR 23 Ca 0.72 -0.92 -0.24 0.00 -1.18 0.00 0.00 61.69 60.06 1irp s THR 23 Cb -0.23 -1.39 0.03 0.00 1.34 0.00 0.00 72.50 72.24 1irp s THR 23 CO 0.26 0.46 0.86 0.12 -0.54 0.00 0.00 174.62 175.79 1irp s PHE 24 N -0.51 2.95 0.31 3.99 2.19 -0.81 -0.79 117.98 125.30 1irp s PHE 24 Ca 0.08 0.26 -0.01 0.00 0.33 0.00 0.00 56.93 57.60 1irp s PHE 24 Cb -0.08 -3.84 0.01 0.00 -1.31 0.00 0.00 43.02 37.79 1irp s PHE 24 CO -0.01 -1.06 0.42 2.48 1.83 0.00 0.00 175.22 178.88 1irp n TYR 25 N 6.98 -1.29 -4.41 10.12 4.11 -1.01 -4.32 117.16 127.34 1irp n TYR 25 Ca 0.04 -2.08 -0.21 0.00 -0.00 0.00 0.00 57.90 55.65 1irp n TYR 25 Cb 0.48 0.47 -0.10 0.00 -0.00 0.00 0.00 39.34 40.19 1irp n TYR 25 CO 0.00 0.00 0.00 -0.48 -0.00 0.00 0.00 176.86 176.38 1irp s LEU 26 N 0.00 2.57 0.00 -3.48 2.34 -1.26 -0.89 118.68 117.96 1irp s LEU 26 Ca 0.26 -1.06 0.00 0.00 0.06 0.00 0.00 54.13 53.39 1irp s LEU 26 Cb -0.01 -0.82 0.00 0.00 -0.56 0.00 0.00 46.19 44.80 1irp s LEU 26 CO 0.19 -0.13 0.00 -1.14 -1.06 0.00 0.00 176.35 174.20 1irp n ARG 27 N -0.52 0.00 0.00 1.48 3.00 -0.71 -4.85 116.66 115.06 1irp n ARG 27 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.79 1irp n ARG 27 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.07 1irp n ARG 27 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1irp n ASN 28 N -1.46 0.00 -2.23 6.15 4.13 -1.26 -4.93 115.26 115.66 1irp n ASN 28 Ca 0.00 0.00 -0.27 0.00 1.68 0.00 0.00 54.58 55.99 1irp n ASN 28 Cb 0.00 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.26 1irp n ASN 28 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1irp n ASN 29 N -1.23 5.20 -3.76 6.41 4.13 -1.26 -4.93 115.26 119.81 1irp n ASN 29 Ca 0.00 -3.75 -0.13 0.00 1.68 0.00 0.00 54.58 52.39 1irp n ASN 29 Cb 0.00 -0.46 -0.11 0.00 -1.54 0.00 0.00 39.78 37.66 1irp n ASN 29 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1irp s GLN 30 N -3.62 0.33 -0.53 3.52 -0.21 -1.26 -5.13 119.66 112.76 1irp s GLN 30 Ca 0.51 0.46 -0.21 0.00 0.02 0.00 0.00 55.36 56.14 1irp s GLN 30 Cb 0.42 0.11 0.05 0.00 1.00 0.00 0.00 33.01 34.59 1irp s GLN 30 CO -0.06 -0.07 0.74 -0.51 -2.12 0.00 0.00 175.29 173.28 1irp s LEU 31 N 0.41 4.68 0.07 2.90 1.43 -1.26 -1.74 118.68 125.17 1irp s LEU 31 Ca -0.02 -0.75 -0.05 0.00 -1.03 0.00 0.00 54.13 52.28 1irp s LEU 31 Cb -0.04 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 43.57 1irp s LEU 31 CO -0.02 -1.03 0.30 -0.69 0.23 0.00 0.00 176.35 175.15 1irp s VAL 32 N 3.11 5.26 0.11 -1.59 1.01 -0.06 -1.92 120.40 126.32 1irp s VAL 32 Ca 0.20 0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.24 1irp s VAL 32 Cb -0.17 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1irp s VAL 32 CO 0.14 0.19 0.12 0.00 0.00 0.00 0.00 175.10 175.55 1irp s ALA 33 N -1.48 3.61 0.00 5.51 0.00 -0.41 -2.41 121.76 126.58 1irp s ALA 33 Ca 0.34 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.22 1irp s ALA 33 Cb -0.13 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.55 1irp s ALA 33 CO 0.22 0.65 0.00 0.41 0.00 0.00 0.00 175.76 177.04 1irp n GLY 34 N 0.09 1.20 2.69 0.00 0.00 0.03 -2.61 105.19 106.59 1irp n GLY 34 Ca -0.08 0.30 -0.07 0.00 0.00 0.00 0.00 46.02 46.17 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 0.51 1.05 1.61 4.01 -1.03 -0.74 117.16 122.58 1irp n TYR 35 Ca 0.00 -2.53 0.12 0.00 -0.16 0.00 0.00 57.90 55.33 1irp n TYR 35 Cb 0.00 0.00 0.58 0.00 -0.31 0.00 0.00 39.34 39.62 1irp n TYR 35 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1irp n LEU 36 N -0.27 0.00 0.00 7.72 0.00 -1.17 -4.61 117.00 118.67 1irp n LEU 36 Ca 0.06 0.34 0.00 0.00 0.00 0.00 0.00 56.01 56.41 1irp n LEU 36 Cb 0.82 -0.34 0.00 0.00 0.00 0.00 0.00 43.42 43.90 1irp n LEU 36 CO 0.17 -0.07 0.00 1.67 0.00 0.00 0.00 177.39 179.17 1irp n GLN 37 N -1.34 0.00 -3.02 1.96 7.27 -1.26 -5.10 117.38 115.89 1irp n GLN 37 Ca 0.10 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.75 1irp n GLN 37 Cb 0.22 -0.05 -0.06 0.00 2.41 0.00 0.00 30.24 32.76 1irp n GLN 37 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1irp s GLY 38 N -1.54 1.75 0.23 1.69 0.00 -1.26 -4.97 107.32 103.21 1irp s GLY 38 Ca 0.00 -0.49 -0.06 0.00 0.00 0.00 0.00 44.72 44.17 1irp s GLY 38 CO 0.00 1.61 1.83 -2.55 0.00 0.00 0.00 173.10 173.99 1irp h PRO 39 N 8.09 0.83 0.00 2.90 0.11 -1.98 -3.44 132.00 138.51 1irp h PRO 39 Ca -0.25 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1irp h PRO 39 Cb 1.11 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1irp h PRO 39 CO 0.84 0.55 0.00 -1.71 -0.21 0.00 0.00 178.00 177.47 1irp n ASN 40 N -4.69 0.00 -4.25 -2.05 5.15 -1.26 -5.02 115.26 103.13 1irp n ASN 40 Ca 0.12 0.00 -0.44 0.00 -0.60 0.00 0.00 54.58 53.66 1irp n ASN 40 Cb 0.20 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.45 1irp n ASN 40 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 1irp n VAL 41 N -0.84 4.50 0.00 3.44 3.14 -1.26 -4.55 118.33 122.76 1irp n VAL 41 Ca 0.00 -4.99 0.00 0.00 -2.96 0.00 0.00 64.34 56.39 1irp n VAL 41 Cb 0.00 -2.43 0.00 0.00 -1.06 0.00 0.00 33.84 30.35 1irp n VAL 41 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1irp n ASN 42 N 3.97 0.00 -2.96 6.55 2.85 -1.26 -4.98 115.26 119.42 1irp n ASN 42 Ca 0.33 0.00 -0.34 0.00 -0.11 0.00 0.00 54.58 54.46 1irp n ASN 42 Cb 0.39 0.11 0.01 0.00 1.24 0.00 0.00 39.78 41.53 1irp n ASN 42 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1irp n LEU 43 N -2.02 6.05 -4.38 1.20 4.77 -1.26 -4.91 117.00 116.45 1irp n LEU 43 Ca 0.00 -5.26 -0.45 0.00 -0.03 0.00 0.00 56.01 50.27 1irp n LEU 43 Cb 0.00 -0.81 -0.01 0.00 -2.33 0.00 0.00 43.42 40.27 1irp n LEU 43 CO 0.00 2.09 0.89 -1.83 -1.33 0.00 0.00 177.39 177.21 1irp s GLU 44 N -3.86 4.04 0.00 3.23 -1.05 -1.26 -4.74 118.70 115.06 1irp s GLU 44 Ca 0.47 -2.84 0.00 0.00 -0.15 0.00 0.00 54.97 52.46 1irp s GLU 44 Cb 0.34 -4.69 0.00 0.00 -0.44 0.00 0.00 34.13 29.34 1irp s GLU 44 CO -0.23 -1.42 0.00 -1.91 0.95 0.00 0.00 175.26 172.65 1irp n GLU 45 N 3.91 2.33 -3.62 -4.83 0.00 -1.26 -5.06 120.64 112.11 1irp n GLU 45 Ca 0.25 0.00 -0.10 0.00 0.00 0.00 0.00 57.16 57.31 1irp n GLU 45 Cb 0.42 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.79 1irp n GLU 45 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 1irp s LYS 46 N 1.57 0.56 -0.03 5.31 -2.85 -1.26 -4.52 119.74 118.52 1irp s LYS 46 Ca 0.00 0.55 0.03 0.00 -1.00 0.00 0.00 55.97 55.55 1irp s LYS 46 Cb 0.00 0.27 -0.00 0.00 -2.06 0.00 0.00 37.83 36.04 1irp s LYS 46 CO 0.00 -0.09 -0.13 -1.50 0.10 0.00 0.00 175.35 173.73 1irp s ILE 47 N -0.02 1.08 0.00 3.79 -1.16 -0.07 -2.04 121.20 122.78 1irp s ILE 47 Ca 0.02 -0.53 0.00 0.00 -0.51 0.00 0.00 60.65 59.63 1irp s ILE 47 Cb -0.04 -0.94 0.00 0.00 0.61 0.00 0.00 42.46 42.08 1irp s ILE 47 CO -0.04 0.32 0.00 -0.67 -2.81 0.00 0.00 174.94 171.74 1irp n ASP 48 N 3.21 0.00 0.00 4.50 2.03 -0.82 -0.69 116.55 124.78 1irp n ASP 48 Ca -0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.13 1irp n ASP 48 Cb 0.54 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 1irp n ASP 48 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1irp n VAL 49 N 0.00 0.00 -4.01 5.18 0.31 -0.05 -0.85 118.33 118.91 1irp n VAL 49 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.10 1irp n VAL 49 Cb 0.00 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 32.76 1irp n VAL 49 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1irp s VAL 50 N 0.00 0.62 0.78 2.52 1.01 -0.89 -4.79 120.40 119.65 1irp s VAL 50 Ca 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 61.98 61.85 1irp s VAL 50 Cb 0.00 -0.68 0.16 0.00 0.00 0.00 0.00 36.38 35.86 1irp s VAL 50 CO 0.00 0.27 1.06 -0.81 0.00 0.00 0.00 175.10 175.63 1irp n PRO 51 N 4.59 -0.37 0.00 2.72 -0.04 -1.26 -1.57 135.00 139.06 1irp n PRO 51 Ca -0.16 -2.55 0.00 0.00 -0.04 0.00 0.00 63.50 60.75 1irp n PRO 51 Cb 0.50 -0.81 0.00 0.00 -0.04 0.00 0.00 33.50 33.15 1irp n PRO 51 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1irp n ILE 52 N -3.06 0.00 -0.03 0.52 5.41 0.25 -4.72 119.36 117.72 1irp n ILE 52 Ca 0.16 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.78 1irp n ILE 52 Cb 0.58 -1.30 -0.09 0.00 -0.71 0.00 0.00 39.64 38.12 1irp n ILE 52 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1irp h GLU 53 N 0.00 0.16 0.35 0.38 3.07 -1.90 -3.35 114.58 113.30 1irp h GLU 53 Ca 0.00 -0.09 -0.02 0.00 -0.50 0.00 0.00 59.36 58.76 1irp h GLU 53 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1irp h GLU 53 CO 0.00 0.61 -0.17 -1.35 -1.40 0.00 0.00 179.01 176.70 1irp h PRO 54 N -0.28 -0.45 -2.39 2.33 0.11 -2.04 -3.50 132.00 125.78 1irp h PRO 54 Ca 0.01 0.03 0.16 0.00 0.11 0.00 0.00 66.00 66.31 1irp h PRO 54 Cb 0.58 0.10 -0.08 0.00 0.11 0.00 0.00 31.00 31.71 1irp h PRO 54 CO 0.02 -0.30 0.46 -3.38 -0.21 0.00 0.00 178.00 174.59 1irp s HIS 55 N -3.09 -0.15 0.15 0.65 -3.43 -1.26 -5.10 115.29 103.07 1irp s HIS 55 Ca -0.07 -0.15 0.00 0.00 -0.80 0.00 0.00 55.06 54.04 1irp s HIS 55 Cb 0.01 0.64 0.00 0.00 -1.43 0.00 0.00 32.58 31.79 1irp s HIS 55 CO 0.21 -0.84 0.00 0.00 -2.00 0.00 0.00 174.74 172.11 1irp n ALA 56 N -0.45 -2.40 -2.00 -1.38 0.00 -1.26 -3.35 120.51 109.66 1irp n ALA 56 Ca -0.06 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1irp n ALA 56 Cb 0.61 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 0.99 0.00 -4.52 0.00 7.94 -0.70 -0.59 117.00 120.12 1irp n LEU 57 Ca 0.00 0.00 -0.32 0.00 -1.11 0.00 0.00 56.01 54.58 1irp n LEU 57 Cb 0.00 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 43.83 1irp n LEU 57 CO 0.00 0.00 -0.43 0.72 -1.11 0.00 0.00 177.39 176.57 1irp s PHE 58 N 2.29 2.76 0.18 1.96 -0.12 -0.61 -0.36 117.98 124.09 1irp s PHE 58 Ca 0.00 -0.11 0.09 0.00 -0.05 0.00 0.00 56.93 56.85 1irp s PHE 58 Cb 0.00 -1.61 -0.04 0.00 -0.63 0.00 0.00 43.02 40.74 1irp s PHE 58 CO 0.00 0.27 -0.18 -0.51 -0.05 0.00 0.00 175.22 174.76 1irp s LEU 59 N -1.07 2.47 0.16 -1.99 1.43 -0.84 -2.08 118.68 116.76 1irp s LEU 59 Ca 0.14 -0.90 -0.23 0.00 -1.03 0.00 0.00 54.13 52.10 1irp s LEU 59 Cb -0.11 -0.81 0.06 0.00 0.03 0.00 0.00 46.19 45.37 1irp s LEU 59 CO 0.03 -0.06 0.66 -0.83 0.23 0.00 0.00 176.35 176.39 1irp s GLY 60 N -2.84 -0.50 0.04 -3.19 0.00 -0.03 -0.79 107.32 100.00 1irp s GLY 60 Ca 0.18 0.40 0.05 0.00 0.00 0.00 0.00 44.72 45.35 1irp s GLY 60 CO 0.07 0.13 -0.10 -1.50 0.00 0.00 0.00 173.10 171.70 1irp s ILE 61 N -3.70 3.38 0.00 0.90 -1.16 0.14 -1.94 121.20 118.83 1irp s ILE 61 Ca 0.03 -1.00 0.00 0.00 -0.51 0.00 0.00 60.65 59.17 1irp s ILE 61 Cb -0.02 -2.49 0.00 0.00 0.61 0.00 0.00 42.46 40.56 1irp s ILE 61 CO -0.09 0.30 0.00 1.57 -2.81 0.00 0.00 174.94 173.91 1irp n HIS 62 N 1.31 -3.25 -3.65 3.50 -0.00 -0.87 -2.12 115.22 110.14 1irp n HIS 62 Ca -0.15 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.31 1irp n HIS 62 Cb 0.52 0.00 0.05 0.00 -0.00 0.00 0.00 29.99 30.56 1irp n HIS 62 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1irp n GLY 63 N 5.00 -0.52 0.00 1.57 0.00 -1.26 -4.01 105.19 105.97 1irp n GLY 63 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.76 2.00 1.82 -0.02 0.00 -1.26 -4.95 105.19 101.01 1irp n GLY 64 Ca 0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 46.02 45.86 1irp n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1irp n LYS 65 N 0.00 -0.29 -4.30 1.61 4.01 -1.17 -4.89 118.16 113.13 1irp n LYS 65 Ca 0.00 0.72 -0.35 0.00 -0.51 0.00 0.00 58.31 58.17 1irp n LYS 65 Cb 0.00 -2.39 -0.10 0.00 -0.51 0.00 0.00 35.03 32.03 1irp n LYS 65 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1irp s MET 66 N -2.86 3.31 0.25 1.97 0.23 -0.90 -1.67 119.30 119.63 1irp s MET 66 Ca 0.00 -0.41 -0.13 0.00 -1.03 0.00 0.00 55.69 54.12 1irp s MET 66 Cb -0.00 -2.91 -0.00 0.00 -1.53 0.00 0.00 34.83 30.39 1irp s MET 66 CO 0.16 0.54 0.50 0.00 -2.03 0.00 0.00 175.02 174.18 1irp n LEU 68 N -0.39 0.00 0.00 0.00 -0.00 0.03 -1.08 117.00 115.56 1irp n LEU 68 Ca -0.02 0.00 -0.17 0.00 -0.00 0.00 0.00 56.01 55.83 1irp n LEU 68 Cb 0.62 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 44.04 1irp n LEU 68 CO 0.22 0.00 0.07 -1.54 -0.00 0.00 0.00 177.39 176.14 1irp n SER 69 N 0.00 2.05 -4.69 1.96 3.41 0.24 -2.00 113.62 114.59 1irp n SER 69 Ca 0.00 -2.21 -0.41 0.00 -0.26 0.00 0.00 58.87 55.99 1irp n SER 69 Cb 0.00 -0.06 -0.04 0.00 -0.26 0.00 0.00 64.21 63.85 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 1.52 -0.38 -0.29 0.00 0.11 -0.12 -4.93 120.40 116.31 1irp s VAL 71 Ca 0.40 0.22 -0.29 0.00 -2.93 0.00 0.00 61.98 59.38 1irp s VAL 71 Cb -0.18 -0.50 0.01 0.00 -1.53 0.00 0.00 36.38 34.19 1irp s VAL 71 CO 0.16 0.09 1.10 -1.59 -3.33 0.00 0.00 175.10 171.54 1irp s LYS 72 N 2.21 4.09 -0.51 1.54 0.00 -1.26 -2.12 119.74 123.69 1irp s LYS 72 Ca -0.02 1.17 -0.08 0.00 0.00 0.00 0.00 55.97 57.04 1irp s LYS 72 Cb -0.11 -3.73 0.13 0.00 0.00 0.00 0.00 37.83 34.11 1irp s LYS 72 CO -0.10 -0.87 0.37 0.45 0.00 0.00 0.00 175.35 175.21 1irp s SER 73 N 1.70 5.67 0.00 0.03 0.15 -1.10 -4.88 113.70 115.26 1irp s SER 73 Ca 0.47 -2.10 0.00 0.00 0.70 0.00 0.00 55.95 55.02 1irp s SER 73 Cb -0.14 -1.98 0.00 0.00 -1.71 0.00 0.00 66.02 62.19 1irp s SER 73 CO 0.14 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.56 1irp n GLY 74 N 4.63 1.12 0.83 9.45 0.00 -1.26 -4.36 105.19 115.60 1irp n GLY 74 Ca -0.04 -0.59 -0.03 0.00 0.00 0.00 0.00 46.02 45.36 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 2.16 0.53 -4.79 1.61 2.03 -1.26 -5.08 116.55 111.74 1irp n ASP 75 Ca 0.00 0.03 -0.35 0.00 0.52 0.00 0.00 54.79 54.99 1irp n ASP 75 Cb 0.00 -0.09 -0.06 0.00 -0.72 0.00 0.00 41.12 40.26 1irp n ASP 75 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1irp s GLU 76 N -2.06 4.28 -0.50 -0.67 -6.30 -1.26 -5.01 118.70 107.18 1irp s GLU 76 Ca -0.04 1.33 -0.29 0.00 -2.50 0.00 0.00 54.97 53.47 1irp s GLU 76 Cb 0.02 -2.48 0.03 0.00 0.00 0.00 0.00 34.13 31.69 1irp s GLU 76 CO 0.06 -0.01 1.20 0.99 0.02 0.00 0.00 175.26 177.52 1irp s THR 77 N -1.82 4.11 0.29 -1.70 2.01 -1.26 -2.72 115.64 114.56 1irp s THR 77 Ca 0.57 1.09 0.06 0.00 0.31 0.00 0.00 61.69 63.73 1irp s THR 77 Cb -0.17 -4.58 -0.02 0.00 0.01 0.00 0.00 72.50 67.74 1irp s THR 77 CO 0.22 -1.07 0.39 -0.60 -0.69 0.00 0.00 174.62 172.87 1irp s ARG 78 N 4.68 3.17 -0.40 4.92 6.06 -0.90 -3.29 118.95 133.19 1irp s ARG 78 Ca 0.49 -0.96 -0.09 0.00 -2.50 0.00 0.00 55.73 52.67 1irp s ARG 78 Cb -0.08 -2.78 0.07 0.00 0.06 0.00 0.00 34.95 32.21 1irp s ARG 78 CO 0.30 0.23 0.22 -1.17 -2.50 0.00 0.00 175.30 172.38 1irp s LEU 79 N -4.05 4.94 0.00 -0.88 1.98 -1.26 -0.94 118.68 118.46 1irp s LEU 79 Ca 0.39 -1.39 0.00 0.00 -2.89 0.00 0.00 54.13 50.25 1irp s LEU 79 Cb -0.09 -1.96 0.00 0.00 0.66 0.00 0.00 46.19 44.80 1irp s LEU 79 CO 0.29 -0.48 0.00 1.67 -1.89 0.00 0.00 176.35 175.95 1irp n GLN 80 N 4.89 0.00 0.00 1.98 7.27 -0.23 -4.75 117.38 126.54 1irp n GLN 80 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.97 1irp n GLN 80 Cb 0.44 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.09 1irp n GLN 80 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1irp n LEU 81 N 0.00 0.00 -4.06 1.69 0.00 -1.22 -0.59 117.00 112.82 1irp n LEU 81 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 56.01 55.76 1irp n LEU 81 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 43.42 43.26 1irp n LEU 81 CO 0.00 0.00 -0.48 -0.70 0.00 0.00 0.00 177.39 176.21 1irp s GLU 82 N -0.49 1.73 -0.61 1.96 2.12 -0.24 -5.02 118.70 118.14 1irp s GLU 82 Ca 0.00 -0.48 -0.17 0.00 0.36 0.00 0.00 54.97 54.69 1irp s GLU 82 Cb 0.00 -1.44 0.13 0.00 0.26 0.00 0.00 34.13 33.08 1irp s GLU 82 CO 0.00 0.10 0.63 0.00 -0.54 0.00 0.00 175.26 175.45 1irp s ALA 83 N 0.45 3.61 0.37 6.30 0.00 -1.26 -1.14 121.76 130.10 1irp s ALA 83 Ca -0.11 -2.55 -0.14 0.00 0.00 0.00 0.00 51.96 49.16 1irp s ALA 83 Cb -0.14 -3.43 -0.08 0.00 0.00 0.00 0.00 23.12 19.47 1irp s ALA 83 CO 0.03 -2.21 0.78 0.54 0.00 0.00 0.00 175.76 174.90 1irp s VAL 84 N 1.83 4.69 0.21 0.00 0.11 -0.67 -5.01 120.40 121.56 1irp s VAL 84 Ca 0.09 0.88 -0.13 0.00 -2.93 0.00 0.00 61.98 59.89 1irp s VAL 84 Cb -0.24 -3.66 0.00 0.00 -1.53 0.00 0.00 36.38 30.95 1irp s VAL 84 CO 0.02 -0.36 0.43 0.54 -3.33 0.00 0.00 175.10 172.40 1irp s ASN 85 N -2.66 -0.10 -0.27 3.54 2.20 -1.26 -4.77 114.94 111.61 1irp s ASN 85 Ca 0.54 -0.77 -0.26 0.00 -0.94 0.00 0.00 52.86 51.42 1irp s ASN 85 Cb -0.10 0.54 0.00 0.00 -2.00 0.00 0.00 41.25 39.69 1irp s ASN 85 CO 0.23 -1.04 0.92 -0.51 -2.94 0.00 0.00 177.10 173.77 1irp s ILE 86 N -3.96 4.72 0.00 0.54 1.10 -1.26 -4.69 121.20 117.65 1irp s ILE 86 Ca 0.17 1.62 0.00 0.00 -0.51 0.00 0.00 60.65 61.93 1irp s ILE 86 Cb 0.00 -4.24 0.00 0.00 0.15 0.00 0.00 42.46 38.38 1irp s ILE 86 CO 0.03 -0.23 0.00 1.07 -2.11 0.00 0.00 174.94 173.70 1irp n THR 87 N 5.47 0.00 -2.73 4.00 5.66 -1.26 -5.06 114.28 120.36 1irp n THR 87 Ca 0.08 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.04 1irp n THR 87 Cb 0.47 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.28 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 0.00 -2.84 -4.41 1.09 2.03 -1.26 -5.03 116.55 106.14 1irp n ASP 88 Ca 0.00 -2.47 -0.45 0.00 0.52 0.00 0.00 54.79 52.39 1irp n ASP 88 Cb 0.00 1.49 -0.01 0.00 -0.72 0.00 0.00 41.12 41.88 1irp n ASP 88 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1irp s LEU 89 N 0.64 5.64 -0.20 -2.67 1.43 -1.26 -5.00 118.68 117.25 1irp s LEU 89 Ca 0.29 -2.85 -0.05 0.00 -1.03 0.00 0.00 54.13 50.48 1irp s LEU 89 Cb 0.07 -2.32 -0.03 0.00 0.03 0.00 0.00 46.19 43.94 1irp s LEU 89 CO -0.09 -0.69 0.01 -0.44 0.23 0.00 0.00 176.35 175.37 1irp s SER 90 N 2.56 4.92 0.03 2.29 0.01 -1.26 -4.91 113.70 117.33 1irp s SER 90 Ca 0.33 -0.18 0.01 0.00 1.31 0.00 0.00 55.95 57.42 1irp s SER 90 Cb -0.06 -1.85 -0.02 0.00 0.21 0.00 0.00 66.02 64.30 1irp s SER 90 CO -0.06 0.06 -0.05 -0.70 0.41 0.00 0.00 173.24 172.91 1irp s GLU 91 N 1.00 0.38 -0.23 12.44 2.56 -1.26 -5.09 118.70 128.50 1irp s GLU 91 Ca 0.02 -0.62 -0.14 0.00 0.00 0.00 0.00 54.97 54.23 1irp s GLU 91 Cb -0.14 -0.05 -0.17 0.00 2.00 0.00 0.00 34.13 35.77 1irp s GLU 91 CO 0.02 -0.01 -0.04 -1.71 -0.56 0.00 0.00 175.26 172.96 1irp n ASN 92 N 1.65 1.95 0.17 -1.70 5.15 -1.26 -5.05 115.26 116.17 1irp n ASN 92 Ca -0.23 0.29 0.00 0.00 -0.60 0.00 0.00 54.58 54.05 1irp n ASN 92 Cb 0.55 -0.83 0.00 0.00 -0.53 0.00 0.00 39.78 38.97 1irp n ASN 92 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1irp n ARG 93 N -4.10 0.00 0.00 1.20 0.63 -1.26 -4.90 116.66 108.24 1irp n ARG 93 Ca -0.42 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.51 1irp n ARG 93 Cb 0.85 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.76 1irp n ARG 93 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1irp n LYS 94 N -3.20 0.00 -2.79 -0.14 4.81 -1.26 -4.92 118.16 110.66 1irp n LYS 94 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.42 1irp n LYS 94 Cb 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.04 1irp n LYS 94 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1irp n GLN 95 N 0.00 -3.16 0.00 1.64 7.27 -1.26 -5.10 117.38 116.78 1irp n GLN 95 Ca 0.00 2.56 0.00 0.00 0.07 0.00 0.00 57.00 59.63 1irp n GLN 95 Cb 0.00 -4.20 0.00 0.00 2.41 0.00 0.00 30.24 28.45 1irp n GLN 95 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1irp n ASP 96 N 1.28 0.00 0.00 1.69 -0.08 -1.26 -5.15 116.55 113.03 1irp n ASP 96 Ca -0.13 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.15 1irp n ASP 96 Cb 0.28 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.74 1irp n ASP 96 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1irp n LYS 97 N 0.00 0.00 -1.67 -0.67 5.02 -1.26 -4.75 118.16 114.83 1irp n LYS 97 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 1irp n LYS 97 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 1irp n LYS 97 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1irp n ARG 98 N 0.00 3.68 0.00 1.97 3.00 -1.26 -4.34 116.66 119.71 1irp n ARG 98 Ca 0.00 -2.71 0.00 0.00 -0.01 0.00 0.00 57.85 55.13 1irp n ARG 98 Cb 0.00 -2.90 0.00 0.00 0.00 0.00 0.00 32.46 29.56 1irp n ARG 98 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1irp n PHE 99 N 3.83 0.00 -3.97 -1.55 3.01 -1.26 -4.28 117.46 113.25 1irp n PHE 99 Ca 0.65 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.81 1irp n PHE 99 Cb 0.29 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.71 1irp n PHE 99 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1irp s ALA 100 N -0.20 3.84 -0.03 4.37 0.00 -0.70 -4.50 121.76 124.54 1irp s ALA 100 Ca 0.00 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.03 1irp s ALA 100 Cb 0.00 -1.67 0.01 0.00 0.00 0.00 0.00 23.12 21.46 1irp s ALA 100 CO 0.00 0.74 -0.07 -0.06 0.00 0.00 0.00 175.76 176.37 1irp s PHE 101 N -1.53 0.85 -0.37 0.00 0.08 0.52 -1.43 117.98 116.10 1irp s PHE 101 Ca 0.33 -0.22 -0.06 0.00 0.12 0.00 0.00 56.93 57.09 1irp s PHE 101 Cb -0.12 -0.65 0.06 0.00 -0.57 0.00 0.00 43.02 41.74 1irp s PHE 101 CO 0.26 -0.13 0.15 0.42 -0.10 0.00 0.00 175.22 175.82 1irp s ILE 102 N 0.43 3.77 -0.89 0.64 1.01 -0.92 -1.72 121.20 123.53 1irp s ILE 102 Ca -0.06 -1.35 -0.22 0.00 0.00 0.00 0.00 60.65 59.01 1irp s ILE 102 Cb -0.10 -3.25 0.08 0.00 0.01 0.00 0.00 42.46 39.20 1irp s ILE 102 CO 0.01 -0.33 1.23 0.00 0.00 0.00 0.00 174.94 175.84 1irp s ARG 103 N 1.36 3.45 -1.24 2.79 1.70 -1.26 -1.12 118.95 124.63 1irp s ARG 103 Ca 0.01 -1.18 -0.15 0.00 -0.47 0.00 0.00 55.73 53.94 1irp s ARG 103 Cb -0.21 -4.85 0.14 0.00 -0.57 0.00 0.00 34.95 29.47 1irp s ARG 103 CO 0.01 -1.98 1.54 -1.13 -1.08 0.00 0.00 175.30 172.67 1irp n SER 104 N 7.91 5.13 -4.72 -2.89 3.41 -0.84 -4.92 113.62 116.70 1irp n SER 104 Ca 0.19 -2.96 -0.38 0.00 -0.26 0.00 0.00 58.87 55.46 1irp n SER 104 Cb 0.49 -1.62 -0.06 0.00 -0.26 0.00 0.00 64.21 62.76 1irp n SER 104 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1irp s ASP 105 N 3.17 6.61 -0.48 4.04 1.47 -1.26 -3.58 116.67 126.65 1irp s ASP 105 Ca 0.46 0.73 0.04 0.00 1.18 0.00 0.00 52.55 54.95 1irp s ASP 105 Cb -0.00 -2.26 0.43 0.00 -0.34 0.00 0.00 42.92 40.75 1irp s ASP 105 CO 0.02 0.02 1.39 -0.24 0.68 0.00 0.00 175.17 177.04 1irp n SER 106 N 3.70 5.58 0.00 2.11 2.88 -0.69 -5.01 113.62 122.19 1irp n SER 106 Ca -0.08 -3.76 0.00 0.00 -1.33 0.00 0.00 58.87 53.70 1irp n SER 106 Cb 0.52 -0.57 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 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 -0.63 1.68 0.30 0.46 0.00 -1.26 -4.52 105.19 101.21 1irp n GLY 107 Ca 0.46 -0.34 0.17 0.00 0.00 0.00 0.00 46.02 46.31 1irp n GLY 107 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1irp h PRO 108 N 0.00 0.00 -4.15 1.61 0.11 -1.97 -3.43 132.00 124.17 1irp h PRO 108 Ca 0.00 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.95 1irp h PRO 108 Cb 0.00 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 30.92 1irp h PRO 108 CO 0.00 0.04 -0.70 0.95 -0.21 0.00 0.00 178.00 178.08 1irp s THR 109 N -4.21 0.21 0.13 -1.15 -4.23 -1.26 -1.43 115.64 103.71 1irp s THR 109 Ca -0.03 -1.28 0.02 0.00 -1.18 0.00 0.00 61.69 59.22 1irp s THR 109 Cb 0.13 -0.78 -0.01 0.00 1.34 0.00 0.00 72.50 73.18 1irp s THR 109 CO 0.51 -0.68 0.13 1.07 -0.54 0.00 0.00 174.62 175.12 1irp n THR 110 N 1.01 0.00 -3.62 3.99 5.66 -0.07 -1.70 114.28 119.55 1irp n THR 110 Ca -0.20 -0.89 -0.12 0.00 -3.05 0.00 0.00 64.05 59.80 1irp n THR 110 Cb 0.57 0.46 -0.07 0.00 -1.55 0.00 0.00 70.33 69.75 1irp n THR 110 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1irp s SER 111 N -1.89 -0.56 -0.29 1.09 0.15 -1.23 -1.01 113.70 109.96 1irp s SER 111 Ca 0.15 1.01 -0.05 0.00 0.70 0.00 0.00 55.95 57.75 1irp s SER 111 Cb 0.01 1.00 0.02 0.00 -1.71 0.00 0.00 66.02 65.33 1irp s SER 111 CO 0.10 -0.24 0.05 -0.36 1.20 0.00 0.00 173.24 173.99 1irp s PHE 112 N 0.04 3.15 0.69 3.44 0.40 -0.99 -1.98 117.98 122.72 1irp s PHE 112 Ca 0.00 -1.18 -0.11 0.00 -0.60 0.00 0.00 56.93 55.05 1irp s PHE 112 Cb -0.04 -2.21 0.01 0.00 0.51 0.00 0.00 43.02 41.28 1irp s PHE 112 CO -0.02 -0.63 1.06 -1.21 0.70 0.00 0.00 175.22 175.12 1irp s GLU 113 N 1.44 2.96 -0.14 0.44 0.41 -0.28 -0.19 118.70 123.35 1irp s GLU 113 Ca 0.01 0.77 -0.12 0.00 -0.41 0.00 0.00 54.97 55.22 1irp s GLU 113 Cb -0.17 -2.01 0.04 0.00 -1.78 0.00 0.00 34.13 30.21 1irp s GLU 113 CO 0.01 -1.03 0.38 -1.12 -0.49 0.00 0.00 175.26 173.01 1irp s SER 114 N -4.01 -0.41 0.00 -0.19 0.01 -0.21 -2.17 113.70 106.73 1irp s SER 114 Ca 0.58 0.77 0.00 0.00 1.31 0.00 0.00 55.95 58.61 1irp s SER 114 Cb -0.13 0.76 0.00 0.00 0.21 0.00 0.00 66.02 66.86 1irp s SER 114 CO 0.54 -0.14 0.00 0.00 0.41 0.00 0.00 173.24 174.05 1irp n ALA 115 N 3.14 0.00 -0.29 1.44 0.00 -0.52 -1.25 120.51 123.04 1irp n ALA 115 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1irp n ALA 115 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 2.04 0.00 -2.42 0.00 0.00 -1.26 -1.73 120.51 117.14 1irp n ALA 116 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1irp n ALA 116 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 9.16 0.00 0.00 0.00 -0.02 -1.26 -4.91 135.00 137.97 1irp n PRO 118 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1irp n PRO 118 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 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 0.00 1.93 3.22 -1.23 0.00 -1.26 -4.25 105.19 103.61 1irp n GLY 119 Ca 0.00 -0.63 -0.16 0.00 0.00 0.00 0.00 46.02 45.23 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 1.27 -0.17 1.61 0.52 -0.38 -4.58 118.94 117.22 1irp s TRP 120 Ca 0.00 -0.63 0.00 0.00 0.02 0.00 0.00 56.10 55.49 1irp s TRP 120 Cb 0.00 -0.66 0.04 0.00 -1.15 0.00 0.00 33.47 31.69 1irp s TRP 120 CO 0.00 0.09 -0.09 -0.06 0.02 0.00 0.00 176.95 176.91 1irp s PHE 121 N -2.49 2.05 -0.47 -1.98 0.08 0.02 -1.04 117.98 114.14 1irp s PHE 121 Ca 0.10 -1.26 -0.25 0.00 0.12 0.00 0.00 56.93 55.64 1irp s PHE 121 Cb -0.03 -1.49 0.03 0.00 -0.57 0.00 0.00 43.02 40.96 1irp s PHE 121 CO 0.02 -0.66 0.90 -1.17 -0.10 0.00 0.00 175.22 174.21 1irp s LEU 122 N 1.52 4.06 0.23 -0.37 2.96 0.74 -1.59 118.68 126.23 1irp s LEU 122 Ca 0.02 0.04 -0.10 0.00 -0.22 0.00 0.00 54.13 53.86 1irp s LEU 122 Cb -0.15 -3.13 -0.01 0.00 0.50 0.00 0.00 46.19 43.40 1irp s LEU 122 CO -0.09 -1.04 0.40 0.00 -1.32 0.00 0.00 176.35 174.31 1irp s THR 124 N -4.04 5.05 0.83 0.00 2.01 -0.98 -1.73 115.64 116.78 1irp s THR 124 Ca 0.25 0.49 -0.11 0.00 0.31 0.00 0.00 61.69 62.63 1irp s THR 124 Cb 0.01 -3.66 0.09 0.00 0.01 0.00 0.00 72.50 68.95 1irp s THR 124 CO 0.09 0.25 1.09 0.00 -0.69 0.00 0.00 174.62 175.36 1irp s ALA 125 N -1.44 1.94 0.05 7.40 0.00 -0.76 -0.50 121.76 128.45 1irp s ALA 125 Ca 0.35 0.13 -0.27 0.00 0.00 0.00 0.00 51.96 52.17 1irp s ALA 125 Cb -0.14 -3.24 -0.17 0.00 0.00 0.00 0.00 23.12 19.57 1irp s ALA 125 CO 0.19 -2.03 1.49 1.98 0.00 0.00 0.00 175.76 177.38 1irp h MET 126 N -1.32 -0.44 -7.12 0.00 4.05 -1.85 -3.42 114.93 104.83 1irp h MET 126 Ca -0.46 0.03 -0.51 0.00 -0.28 0.00 0.00 59.70 58.48 1irp h MET 126 Cb 1.25 0.10 0.09 0.00 -0.80 0.00 0.00 31.60 32.24 1irp h MET 126 CO 0.52 -0.20 0.42 -1.21 0.23 0.00 0.00 176.91 176.68 1irp s GLU 127 N -5.46 3.15 -0.74 0.39 8.01 -1.26 -4.96 118.70 117.82 1irp s GLU 127 Ca -0.15 1.57 -0.05 0.00 0.01 0.00 0.00 54.97 56.35 1irp s GLU 127 Cb 0.03 -1.98 -0.01 0.00 -4.31 0.00 0.00 34.13 27.87 1irp s GLU 127 CO 0.60 -1.01 2.86 0.00 0.01 0.00 0.00 175.26 177.73 1irp n ALA 128 N -1.66 6.67 0.00 5.21 0.00 -1.26 -3.86 120.51 125.61 1irp n ALA 128 Ca 0.11 -3.15 0.00 0.00 0.00 0.00 0.00 53.44 50.40 1irp n ALA 128 Cb 0.51 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.46 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 1.75 0.00 -3.89 0.00 5.68 -1.07 -2.48 116.55 116.53 1irp n ASP 129 Ca 0.55 0.00 -0.27 0.00 -0.50 0.00 0.00 54.79 54.57 1irp n ASP 129 Cb 0.50 0.08 0.22 0.00 -1.14 0.00 0.00 41.12 40.78 1irp n ASP 129 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1irp n GLN 130 N -1.57 -2.89 -1.62 0.11 1.13 -1.25 -4.32 117.38 106.96 1irp n GLN 130 Ca 0.00 -0.84 -0.30 0.00 -1.94 0.00 0.00 57.00 53.92 1irp n GLN 130 Cb 0.00 -1.81 0.08 0.00 0.11 0.00 0.00 30.24 28.63 1irp n GLN 130 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1irp s PRO 131 N -4.08 2.19 -0.33 -1.09 0.04 -1.26 -1.29 135.00 129.18 1irp s PRO 131 Ca 0.57 0.58 0.04 0.00 0.04 0.00 0.00 61.00 62.23 1irp s PRO 131 Cb -0.14 -1.94 0.10 0.00 0.04 0.00 0.00 34.50 32.56 1irp s PRO 131 CO 0.56 -1.53 0.04 0.54 0.04 0.00 0.00 177.00 176.64 1irp s VAL 132 N -3.21 2.16 0.00 -0.36 0.11 -0.81 -1.82 120.40 116.47 1irp s VAL 132 Ca 0.60 -2.20 0.00 0.00 -2.93 0.00 0.00 61.98 57.45 1irp s VAL 132 Cb -0.14 -2.57 0.00 0.00 -1.53 0.00 0.00 36.38 32.15 1irp s VAL 132 CO 0.54 -0.54 0.00 -1.54 -3.33 0.00 0.00 175.10 170.22 1irp n SER 133 N 4.31 4.51 -4.62 3.54 3.41 -0.71 -4.75 113.62 119.31 1irp n SER 133 Ca 0.02 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.28 1irp n SER 133 Cb 0.42 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.27 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 3.43 -0.04 1.04 2.01 -1.21 -1.86 118.68 122.07 1irp s LEU 134 Ca 0.00 0.05 0.06 0.00 0.01 0.00 0.00 54.13 54.25 1irp s LEU 134 Cb 0.00 -1.79 -0.01 0.00 0.01 0.00 0.00 46.19 44.40 1irp s LEU 134 CO 0.00 0.32 -0.22 0.28 1.01 0.00 0.00 176.35 177.75 1irp s THR 135 N -0.54 1.75 0.04 5.49 -1.32 -0.62 -4.68 115.64 115.76 1irp s THR 135 Ca 0.09 -0.92 -0.11 0.00 -1.21 0.00 0.00 61.69 59.54 1irp s THR 135 Cb -0.12 -1.47 -0.33 0.00 -1.51 0.00 0.00 72.50 69.07 1irp s THR 135 CO 0.02 0.49 1.03 -1.13 -2.21 0.00 0.00 174.62 172.83 1irp h ASN 136 N 5.93 0.67 -3.72 8.08 -0.73 -1.89 0.09 115.58 124.02 1irp h ASN 136 Ca -0.35 -0.73 -0.50 0.00 1.87 0.00 0.00 56.30 56.59 1irp h ASN 136 Cb 1.16 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 39.52 1irp h ASN 136 CO 0.47 1.57 0.40 -0.32 -0.37 0.00 0.00 177.43 179.19 1irp s MET 137 N -2.62 4.74 0.66 6.67 1.75 -1.26 -4.78 119.30 124.46 1irp s MET 137 Ca -0.07 1.60 -0.16 0.00 -1.25 0.00 0.00 55.69 55.81 1irp s MET 137 Cb 0.05 -3.27 0.00 0.00 2.84 0.00 0.00 34.83 34.46 1irp s MET 137 CO 0.92 0.34 1.17 -1.25 -0.65 0.00 0.00 175.02 175.54 1irp s PRO 138 N -1.00 2.64 -1.28 4.11 0.04 -1.26 -4.94 135.00 133.32 1irp s PRO 138 Ca 0.44 1.64 -0.16 0.00 0.04 0.00 0.00 61.00 62.96 1irp s PRO 138 Cb -0.28 -1.91 0.10 0.00 0.04 0.00 0.00 34.50 32.46 1irp s PRO 138 CO 0.35 -1.42 1.66 -3.47 0.04 0.00 0.00 177.00 174.16 1irp n ASP 139 N -2.24 5.00 -3.37 6.66 2.03 -1.26 -4.82 116.55 118.55 1irp n ASP 139 Ca 0.12 -2.94 -0.39 0.00 0.52 0.00 0.00 54.79 52.10 1irp n ASP 139 Cb 0.51 -1.69 0.01 0.00 -0.72 0.00 0.00 41.12 39.23 1irp n ASP 139 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1irp n GLU 140 N 7.39 4.51 -1.83 -0.67 0.28 -1.26 -4.67 120.64 124.38 1irp n GLU 140 Ca 0.45 -3.86 -0.02 0.00 -0.16 0.00 0.00 57.16 53.57 1irp n GLU 140 Cb 0.45 -2.47 0.01 0.00 1.43 0.00 0.00 31.44 30.86 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 0.61 0.27 1.69 -1.84 0.00 -1.26 -5.05 105.19 99.61 1irp n GLY 141 Ca 0.54 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 -1.67 0.28 -2.43 1.61 3.14 -1.26 -5.14 118.33 112.86 1irp n VAL 142 Ca -0.01 0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.46 1irp n VAL 142 Cb 0.52 -0.84 0.00 0.00 -1.06 0.00 0.00 33.84 32.46 1irp n VAL 142 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 1irp n MET 143 N -3.26 3.94 -3.73 1.45 2.81 -1.26 -4.71 117.12 112.36 1irp n MET 143 Ca 0.00 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.60 1irp n MET 143 Cb 0.05 0.00 -0.13 0.00 -0.71 0.00 0.00 33.22 32.43 1irp n MET 143 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1irp s VAL 144 N 1.55 1.56 0.11 2.03 1.01 0.34 -4.76 120.40 122.25 1irp s VAL 144 Ca 0.00 -2.77 -0.02 0.00 0.00 0.00 0.00 61.98 59.20 1irp s VAL 144 Cb 0.00 -2.08 -0.23 0.00 0.00 0.00 0.00 36.38 34.07 1irp s VAL 144 CO 0.00 -0.92 1.24 0.71 0.00 0.00 0.00 175.10 176.13 1irp h THR 145 N 5.16 1.50 -2.69 3.92 1.35 -1.94 -2.60 112.91 117.62 1irp h THR 145 Ca 0.02 -2.89 -0.61 0.00 -0.55 0.00 0.00 66.41 62.38 1irp h THR 145 Cb 0.91 2.73 -0.13 0.00 -1.73 0.00 0.00 68.15 69.93 1irp h THR 145 CO 0.51 0.84 0.66 -0.75 -0.25 0.00 0.00 175.52 176.53 1irp s LYS 146 N -2.90 3.17 0.30 4.72 2.20 -1.26 -4.22 119.74 121.75 1irp s LYS 146 Ca -0.03 -0.60 -0.11 0.00 -0.36 0.00 0.00 55.97 54.86 1irp s LYS 146 Cb 0.08 -4.19 -0.07 0.00 -1.51 0.00 0.00 37.83 32.14 1irp s LYS 146 CO 0.86 -1.83 0.65 -0.06 -0.36 0.00 0.00 175.35 174.61 1irp s PHE 147 N 4.40 3.42 -0.14 4.03 0.08 -0.18 -4.88 117.98 124.72 1irp s PHE 147 Ca 0.26 0.98 -0.25 0.00 0.12 0.00 0.00 56.93 58.04 1irp s PHE 147 Cb -0.14 -2.36 -0.02 0.00 -0.57 0.00 0.00 43.02 39.93 1irp s PHE 147 CO 0.13 0.13 0.80 -0.47 -0.10 0.00 0.00 175.22 175.71 1irp s TYR 148 N -2.01 3.47 0.24 0.36 5.04 0.39 -0.89 117.35 123.94 1irp s TYR 148 Ca 0.50 1.27 -0.30 0.00 -2.44 0.00 0.00 57.07 56.10 1irp s TYR 148 Cb -0.11 -2.97 -0.09 0.00 0.35 0.00 0.00 41.96 39.15 1irp s TYR 148 CO 0.23 -0.15 0.96 0.12 -1.34 0.00 0.00 175.55 175.37 1irp s PHE 149 N 1.78 3.94 -0.37 4.97 2.19 -0.51 -1.06 117.98 128.92 1irp s PHE 149 Ca 0.39 1.89 0.04 0.00 0.33 0.00 0.00 56.93 59.58 1irp s PHE 149 Cb -0.17 -3.01 0.16 0.00 -1.31 0.00 0.00 43.02 38.69 1irp s PHE 149 CO 0.15 0.35 0.42 -1.14 1.83 0.00 0.00 175.22 176.83 1irp s GLN 150 N -1.15 0.64 0.07 10.12 -0.44 -0.48 -4.91 119.66 123.51 1irp s GLN 150 Ca 0.42 -0.64 -0.23 0.00 -2.50 0.00 0.00 55.36 52.41 1irp s GLN 150 Cb -0.26 -0.54 -0.06 0.00 -1.64 0.00 0.00 33.01 30.50 1irp s GLN 150 CO 0.33 -1.17 0.68 -2.00 0.50 0.00 0.00 175.29 173.62 1irp s GLU 151 N 1.64 4.40 -0.34 1.67 2.56 -1.26 -1.55 118.70 125.82 1irp s GLU 151 Ca 0.16 0.93 -0.26 0.00 0.00 0.00 0.00 54.97 55.80 1irp s GLU 151 Cb -0.13 -3.30 0.01 0.00 2.00 0.00 0.00 34.13 32.71 1irp s GLU 151 CO -0.08 0.48 0.94 -0.51 -0.56 0.00 0.00 175.26 175.53 1irp s ASP 152 N -0.66 6.74 0.00 -1.70 1.01 -1.26 -4.99 116.67 115.80 1irp s ASP 152 Ca 0.34 0.72 0.27 0.00 0.71 0.00 0.00 52.55 54.58 1irp s ASP 152 Cb -0.20 -2.47 0.80 0.00 1.01 0.00 0.00 42.92 42.06 1irp s ASP 152 CO 0.22 -0.82 1.61 -1.84 0.21 0.00 0.00 175.17 174.54