#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 0.83 -3.63 2.12 0.63 -1.26 -4.87 116.66 110.48 1irp n ARG 2 Ca 0.00 -3.11 -0.34 0.00 -0.92 0.00 0.00 57.85 53.49 1irp n ARG 2 Cb 0.00 -1.40 -0.05 0.00 0.45 0.00 0.00 32.46 31.45 1irp n ARG 2 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1irp s PRO 3 N -1.44 3.69 0.13 -0.14 0.04 -1.26 -4.35 135.00 131.68 1irp s PRO 3 Ca 0.36 0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.46 1irp s PRO 3 Cb 0.25 -2.95 0.00 0.00 0.04 0.00 0.00 34.50 31.84 1irp s PRO 3 CO -0.11 0.53 0.00 0.43 0.04 0.00 0.00 177.00 177.90 1irp n SER 4 N 0.64 0.63 -3.67 6.66 7.64 -1.25 -4.62 113.62 119.65 1irp n SER 4 Ca -0.06 0.21 -0.41 0.00 1.01 0.00 0.00 58.87 59.61 1irp n SER 4 Cb 0.52 -0.10 -0.00 0.00 -1.01 0.00 0.00 64.21 63.62 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 2.87 4.74 2.94 0.23 0.00 -1.26 -4.92 105.19 109.79 1irp n GLY 5 Ca 0.00 -1.90 -0.30 0.00 0.00 0.00 0.00 46.02 43.82 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 0.84 1.66 -0.12 1.61 3.52 -1.26 -5.00 118.95 120.20 1irp s ARG 6 Ca 0.49 -0.85 -0.09 0.00 -0.13 0.00 0.00 55.73 55.14 1irp s ARG 6 Cb 0.14 -2.43 -0.03 0.00 -1.56 0.00 0.00 34.95 31.06 1irp s ARG 6 CO -0.05 -0.53 -0.18 1.63 -0.81 0.00 0.00 175.30 175.37 1irp n LYS 7 N 4.72 0.37 0.00 5.12 5.02 -1.26 -5.03 118.16 127.10 1irp n LYS 7 Ca -0.13 0.37 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 1irp n LYS 7 Cb 0.45 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 1irp n LYS 7 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1irp n SER 8 N -4.05 0.00 -1.45 4.39 3.41 -1.26 -5.18 113.62 109.48 1irp n SER 8 Ca -0.07 0.00 0.18 0.00 -0.26 0.00 0.00 58.87 58.71 1irp n SER 8 Cb 0.26 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.12 1irp n SER 8 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1irp n SER 9 N -0.05 -7.89 -4.76 4.04 7.64 -1.26 -4.96 113.62 106.37 1irp n SER 9 Ca 0.00 1.45 -0.32 0.00 1.01 0.00 0.00 58.87 61.01 1irp n SER 9 Cb 0.00 -4.97 0.07 0.00 -1.01 0.00 0.00 64.21 58.29 1irp n SER 9 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1irp s LYS 10 N -4.27 2.55 0.20 1.43 3.01 -1.26 -5.03 119.74 116.37 1irp s LYS 10 Ca 0.00 1.34 -0.30 0.00 -1.01 0.00 0.00 55.97 56.00 1irp s LYS 10 Cb 0.00 -1.92 -0.08 0.00 -1.01 0.00 0.00 37.83 34.82 1irp s LYS 10 CO 0.00 -1.44 1.04 0.00 0.51 0.00 0.00 175.35 175.46 1irp s MET 11 N -4.36 4.68 -1.30 1.68 0.23 -1.26 -4.99 119.30 113.97 1irp s MET 11 Ca 0.65 1.65 -0.09 0.00 -1.03 0.00 0.00 55.69 56.88 1irp s MET 11 Cb -0.20 -3.27 0.15 0.00 -1.53 0.00 0.00 34.83 29.97 1irp s MET 11 CO 0.47 0.22 2.03 1.04 -2.03 0.00 0.00 175.02 176.75 1irp n GLN 12 N 1.99 3.84 -2.77 3.16 1.13 -1.26 -5.00 117.38 118.47 1irp n GLN 12 Ca 0.01 -3.46 -0.42 0.00 -1.94 0.00 0.00 57.00 51.19 1irp n GLN 12 Cb 0.46 -2.86 -0.03 0.00 0.11 0.00 0.00 30.24 27.92 1irp n GLN 12 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1irp s ALA 13 N 0.12 3.47 -0.16 -1.58 0.00 -1.26 -1.73 121.76 120.63 1irp s ALA 13 Ca 0.44 0.23 -0.28 0.00 0.00 0.00 0.00 51.96 52.35 1irp s ALA 13 Cb 0.12 -3.36 0.07 0.00 0.00 0.00 0.00 23.12 19.95 1irp s ALA 13 CO -0.02 -0.65 0.71 0.12 0.00 0.00 0.00 175.76 175.92 1irp s PHE 14 N 2.13 -0.71 0.05 0.00 5.36 0.36 -1.12 117.98 124.04 1irp s PHE 14 Ca 0.44 1.49 -0.03 0.00 -0.96 0.00 0.00 56.93 57.87 1irp s PHE 14 Cb -0.17 0.34 -0.02 0.00 -0.34 0.00 0.00 43.02 42.83 1irp s PHE 14 CO 0.15 -0.49 0.04 0.50 -1.46 0.00 0.00 175.22 173.95 1irp s ARG 15 N -0.43 0.58 -0.04 10.12 3.52 -0.41 -2.05 118.95 130.24 1irp s ARG 15 Ca -0.05 -0.95 -0.00 0.00 -0.13 0.00 0.00 55.73 54.59 1irp s ARG 15 Cb -0.02 0.22 0.03 0.00 -1.56 0.00 0.00 34.95 33.61 1irp s ARG 15 CO 0.05 -0.13 0.01 0.96 -0.81 0.00 0.00 175.30 175.38 1irp s ILE 16 N -3.12 0.22 0.00 4.11 -4.36 -1.26 -1.32 121.20 115.47 1irp s ILE 16 Ca -0.01 0.14 0.00 0.00 -0.26 0.00 0.00 60.65 60.52 1irp s ILE 16 Cb 0.02 -0.35 0.00 0.00 1.25 0.00 0.00 42.46 43.38 1irp s ILE 16 CO -0.07 0.19 0.00 -2.67 0.24 0.00 0.00 174.94 172.63 1irp n TRP 17 N 4.62 0.00 -3.60 1.37 4.27 -0.84 -2.21 117.44 121.05 1irp n TRP 17 Ca -0.17 0.00 -0.16 0.00 -3.89 0.00 0.00 57.50 53.29 1irp n TRP 17 Cb 0.50 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.38 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 1.00 -0.60 0.64 -0.67 1.47 0.34 -0.24 116.67 118.61 1irp s ASP 18 Ca 0.00 0.84 0.35 0.00 1.18 0.00 0.00 52.55 54.92 1irp s ASP 18 Cb 0.00 0.79 1.94 0.00 -0.34 0.00 0.00 42.92 45.31 1irp s ASP 18 CO 0.00 -0.44 2.16 0.58 0.68 0.00 0.00 175.17 178.15 1irp h VAL 19 N 3.54 0.19 -0.22 2.11 2.07 -1.89 -2.32 116.25 119.73 1irp h VAL 19 Ca -0.28 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.10 1irp h VAL 19 Cb 1.15 0.86 -0.07 0.00 -1.52 0.00 0.00 31.29 31.72 1irp h VAL 19 CO 0.28 0.00 0.18 0.59 0.02 0.00 0.00 177.57 178.65 1irp n ASN 20 N -3.33 5.21 -3.11 0.57 4.13 -1.26 -4.84 115.26 112.63 1irp n ASN 20 Ca -0.01 -2.63 -0.02 0.00 1.68 0.00 0.00 54.58 53.60 1irp n ASN 20 Cb 0.23 -0.97 0.00 0.00 -1.54 0.00 0.00 39.78 37.51 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 0.76 -1.38 -3.85 3.52 6.02 -1.11 -5.08 117.38 116.26 1irp n GLN 21 Ca 0.14 1.42 -0.11 0.00 -0.01 0.00 0.00 57.00 58.44 1irp n GLN 21 Cb 0.59 -5.59 -0.10 0.00 1.02 0.00 0.00 30.24 26.16 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 -3.19 0.52 0.01 -1.09 -0.14 -0.89 -4.49 119.74 110.46 1irp s LYS 22 Ca 0.03 -0.38 0.00 0.00 -1.36 0.00 0.00 55.97 54.26 1irp s LYS 22 Cb -0.00 0.22 -0.01 0.00 -1.68 0.00 0.00 37.83 36.36 1irp s LYS 22 CO 0.76 -0.13 -0.01 0.95 -0.76 0.00 0.00 175.35 176.16 1irp s THR 23 N -1.41 0.07 -0.46 2.17 -4.23 0.43 -0.51 115.64 111.70 1irp s THR 23 Ca -0.14 -0.24 -0.17 0.00 -1.18 0.00 0.00 61.69 59.95 1irp s THR 23 Cb -0.07 -0.10 0.04 0.00 1.34 0.00 0.00 72.50 73.71 1irp s THR 23 CO 0.02 -0.11 0.47 0.12 -0.54 0.00 0.00 174.62 174.58 1irp s PHE 24 N -0.36 3.16 0.02 3.99 5.36 -0.94 -0.57 117.98 128.65 1irp s PHE 24 Ca -0.04 -0.56 0.02 0.00 -0.96 0.00 0.00 56.93 55.39 1irp s PHE 24 Cb -0.03 -3.13 -0.02 0.00 -0.34 0.00 0.00 43.02 39.51 1irp s PHE 24 CO -0.00 -0.81 -0.06 1.52 -1.46 0.00 0.00 175.22 174.41 1irp s TYR 25 N 2.14 0.51 0.24 10.12 1.13 -1.06 -4.56 117.35 125.88 1irp s TYR 25 Ca 0.11 -0.34 -0.20 0.00 -1.41 0.00 0.00 57.07 55.22 1irp s TYR 25 Cb -0.19 -0.32 -0.08 0.00 -1.10 0.00 0.00 41.96 40.26 1irp s TYR 25 CO 0.11 -0.07 0.75 -1.17 -2.51 0.00 0.00 175.55 172.66 1irp s LEU 26 N -1.02 4.32 -0.28 -3.49 2.96 -1.26 -1.18 118.68 118.73 1irp s LEU 26 Ca -0.06 1.44 0.01 0.00 -0.22 0.00 0.00 54.13 55.30 1irp s LEU 26 Cb -0.07 -3.67 0.17 0.00 0.50 0.00 0.00 46.19 43.12 1irp s LEU 26 CO 0.00 0.00 0.47 -0.60 -1.32 0.00 0.00 176.35 174.90 1irp s ARG 27 N -2.07 0.45 -0.79 1.98 3.52 0.51 -4.95 118.95 117.60 1irp s ARG 27 Ca 0.45 0.44 -0.01 0.00 -0.13 0.00 0.00 55.73 56.48 1irp s ARG 27 Cb -0.16 -0.10 0.00 0.00 -1.56 0.00 0.00 34.95 33.13 1irp s ARG 27 CO 0.21 -0.89 0.64 0.27 -0.81 0.00 0.00 175.30 174.72 1irp n ASN 28 N 5.38 -5.94 0.00 -2.12 0.23 -1.26 -2.30 115.26 109.25 1irp n ASN 28 Ca 0.00 -0.62 0.00 0.00 -0.53 0.00 0.00 54.58 53.43 1irp n ASN 28 Cb 0.51 -3.00 0.00 0.00 -2.08 0.00 0.00 39.78 35.20 1irp n ASN 28 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1irp n ASN 29 N -2.26 0.00 -4.70 0.53 2.85 -1.26 -4.98 115.26 105.44 1irp n ASN 29 Ca -0.20 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 53.92 1irp n ASN 29 Cb 0.62 -0.71 -0.09 0.00 1.24 0.00 0.00 39.78 40.85 1irp n ASN 29 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 1irp s GLN 30 N 0.00 3.89 -0.56 1.20 -0.21 -0.97 -5.04 119.66 117.97 1irp s GLN 30 Ca 0.00 -0.28 -0.13 0.00 0.02 0.00 0.00 55.36 54.97 1irp s GLN 30 Cb 0.00 -3.24 0.14 0.00 1.00 0.00 0.00 33.01 30.91 1irp s GLN 30 CO 0.00 0.39 0.48 -0.51 -2.12 0.00 0.00 175.29 173.54 1irp s LEU 31 N 0.06 6.09 0.40 2.90 1.02 -1.26 -0.36 118.68 127.52 1irp s LEU 31 Ca 0.07 -1.97 -0.10 0.00 0.02 0.00 0.00 54.13 52.16 1irp s LEU 31 Cb -0.12 -2.14 -0.06 0.00 0.02 0.00 0.00 46.19 43.89 1irp s LEU 31 CO 0.00 -0.76 0.75 -0.69 0.02 0.00 0.00 176.35 175.67 1irp s VAL 32 N 1.31 4.81 0.13 -1.59 1.01 -0.33 -1.56 120.40 124.17 1irp s VAL 32 Ca 0.06 0.54 -0.00 0.00 0.00 0.00 0.00 61.98 62.58 1irp s VAL 32 Cb -0.26 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1irp s VAL 32 CO 0.00 -0.53 0.29 0.00 0.00 0.00 0.00 175.10 174.87 1irp s ALA 33 N -2.37 3.93 0.00 5.51 0.00 -0.66 -2.56 121.76 125.60 1irp s ALA 33 Ca 0.50 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.62 1irp s ALA 33 Cb -0.10 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.12 1irp s ALA 33 CO 0.32 0.65 0.00 0.41 0.00 0.00 0.00 175.76 177.14 1irp n GLY 34 N -0.17 0.91 2.47 0.00 0.00 0.27 -3.32 105.19 105.35 1irp n GLY 34 Ca -0.05 0.40 -0.06 0.00 0.00 0.00 0.00 46.02 46.31 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 1.57 1.19 1.61 4.02 -1.26 -0.43 117.16 123.86 1irp n TYR 35 Ca 0.00 -2.05 0.11 0.00 -0.01 0.00 0.00 57.90 55.96 1irp n TYR 35 Cb 0.00 -0.26 0.61 0.00 -0.02 0.00 0.00 39.34 39.67 1irp n TYR 35 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 1irp n LEU 36 N -0.58 0.00 -3.71 7.72 -0.00 -1.22 -4.72 117.00 114.50 1irp n LEU 36 Ca 0.18 0.20 -0.11 0.00 -0.00 0.00 0.00 56.01 56.27 1irp n LEU 36 Cb 0.87 -0.20 -0.11 0.00 -0.00 0.00 0.00 43.42 43.97 1irp n LEU 36 CO 0.15 -0.05 0.00 -1.10 -0.00 0.00 0.00 177.39 176.39 1irp s GLN 37 N -2.40 0.35 0.00 1.96 -1.52 -1.26 -5.06 119.66 111.73 1irp s GLN 37 Ca 0.26 0.68 0.00 0.00 -1.95 0.00 0.00 55.36 54.34 1irp s GLN 37 Cb 0.15 -0.02 0.00 0.00 -0.22 0.00 0.00 33.01 32.93 1irp s GLN 37 CO 0.32 -0.14 0.00 0.41 -0.25 0.00 0.00 175.29 175.63 1irp n GLY 38 N 4.06 0.44 3.59 3.09 0.00 -1.26 -4.93 105.19 110.18 1irp n GLY 38 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 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 3.30 0.00 1.61 0.04 -1.26 -4.77 135.00 133.92 1irp s PRO 39 Ca 0.00 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.29 1irp s PRO 39 Cb 0.00 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.35 1irp s PRO 39 CO 0.00 -1.90 0.00 0.09 0.04 0.00 0.00 177.00 175.23 1irp n ASN 40 N 10.29 0.00 0.00 6.66 3.02 -1.26 -5.06 115.26 128.91 1irp n ASN 40 Ca 0.21 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 1irp n ASN 40 Cb 0.48 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 1irp n ASN 40 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1irp n VAL 41 N -1.48 0.00 -3.37 2.41 0.31 -1.26 -4.79 118.33 110.15 1irp n VAL 41 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.97 1irp n VAL 41 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 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 0.15 4.87 0.14 4.52 5.15 -1.26 -4.65 115.26 124.17 1irp n ASN 42 Ca 0.00 -3.29 0.00 0.00 -0.60 0.00 0.00 54.58 50.69 1irp n ASN 42 Cb 0.00 -1.04 0.00 0.00 -0.53 0.00 0.00 39.78 38.21 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 1.65 -2.14 -1.73 1.20 0.00 -1.26 -5.09 117.00 109.63 1irp n LEU 43 Ca 0.25 0.52 0.00 0.00 0.00 0.00 0.00 56.01 56.78 1irp n LEU 43 Cb 0.37 2.16 0.00 0.00 0.00 0.00 0.00 43.42 45.95 1irp n LEU 43 CO 0.49 -0.14 -0.27 1.21 0.00 0.00 0.00 177.39 178.69 1irp n GLU 44 N -3.10 -2.83 0.09 1.96 4.07 -1.26 -2.90 120.64 116.66 1irp n GLU 44 Ca 0.00 2.28 0.13 0.00 -0.06 0.00 0.00 57.16 59.51 1irp n GLU 44 Cb 0.00 -2.80 0.45 0.00 -0.06 0.00 0.00 31.44 29.03 1irp n GLU 44 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 1irp n GLU 45 N 1.00 0.20 0.00 5.31 -0.00 -1.26 -3.22 120.64 122.66 1irp n GLU 45 Ca 0.00 0.25 0.00 0.00 -0.00 0.00 0.00 57.16 57.41 1irp n GLU 45 Cb 0.00 -1.77 0.00 0.00 -0.00 0.00 0.00 31.44 29.67 1irp n GLU 45 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1irp n LYS 46 N -2.12 0.00 0.00 3.44 4.76 -1.26 -4.12 118.16 118.86 1irp n LYS 46 Ca 0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 1irp n LYS 46 Cb 0.35 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.54 1irp n LYS 46 CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 1irp n ILE 47 N 0.00 0.00 -2.83 -0.18 0.13 -0.87 -1.23 119.36 114.38 1irp n ILE 47 Ca 0.00 0.00 -0.39 0.00 -1.10 0.00 0.00 62.75 61.26 1irp n ILE 47 Cb 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 39.64 38.74 1irp n ILE 47 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1irp s ASP 48 N -4.00 7.46 -0.13 9.51 -1.08 -0.02 -0.49 116.67 127.92 1irp s ASP 48 Ca 0.00 1.81 -0.04 0.00 -0.52 0.00 0.00 52.55 53.80 1irp s ASP 48 Cb 0.00 -2.56 0.05 0.00 -1.46 0.00 0.00 42.92 38.95 1irp s ASP 48 CO 0.00 0.09 0.07 0.68 0.52 0.00 0.00 175.17 176.54 1irp s VAL 49 N -1.33 -0.01 -0.40 1.11 -7.23 -0.70 -1.04 120.40 110.80 1irp s VAL 49 Ca 0.43 -0.00 -0.10 0.00 -1.81 0.00 0.00 61.98 60.50 1irp s VAL 49 Cb -0.23 -0.48 0.06 0.00 0.56 0.00 0.00 36.38 36.29 1irp s VAL 49 CO 0.28 -0.10 0.23 -0.69 -0.31 0.00 0.00 175.10 174.51 1irp s VAL 50 N 2.11 4.36 0.44 1.32 1.01 -0.78 -4.83 120.40 124.03 1irp s VAL 50 Ca 0.03 -1.17 -0.21 0.00 0.00 0.00 0.00 61.98 60.63 1irp s VAL 50 Cb -0.15 -3.56 -0.11 0.00 0.00 0.00 0.00 36.38 32.56 1irp s VAL 50 CO -0.07 -0.38 0.96 -2.16 0.00 0.00 0.00 175.10 173.45 1irp s PRO 51 N 1.48 4.18 0.00 2.72 0.04 -1.26 -1.01 135.00 141.15 1irp s PRO 51 Ca 0.02 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1irp s PRO 51 Cb -0.21 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.16 1irp s PRO 51 CO 0.04 -0.08 0.00 1.51 0.04 0.00 0.00 177.00 178.51 1irp n ILE 52 N -0.72 0.00 -0.09 0.56 3.06 -0.26 -4.93 119.36 116.98 1irp n ILE 52 Ca 0.07 0.00 -0.13 0.00 -2.50 0.00 0.00 62.75 60.19 1irp n ILE 52 Cb 0.54 0.00 -0.05 0.00 0.54 0.00 0.00 39.64 40.67 1irp n ILE 52 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1irp n GLU 53 N 0.00 0.51 0.00 9.51 -0.58 -1.26 -4.97 120.64 123.85 1irp n GLU 53 Ca 0.00 0.42 0.00 0.00 -0.42 0.00 0.00 57.16 57.16 1irp n GLU 53 Cb 0.00 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.26 1irp n GLU 53 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1irp n PRO 54 N -4.49 2.97 -1.38 3.49 -0.04 -1.26 -4.90 135.00 129.40 1irp n PRO 54 Ca -0.21 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 62.95 1irp n PRO 54 Cb 0.50 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.89 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 0.00 1.65 -4.04 0.54 8.25 -1.26 -4.89 115.22 115.47 1irp n HIS 55 Ca 0.00 -2.43 -0.12 0.00 -0.26 0.00 0.00 57.72 54.91 1irp n HIS 55 Cb 0.00 -1.96 -0.12 0.00 1.12 0.00 0.00 29.99 29.03 1irp n HIS 55 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1irp s ALA 56 N 0.65 0.40 0.20 -1.41 0.00 -1.26 -1.39 121.76 118.95 1irp s ALA 56 Ca 0.65 -0.61 -0.18 0.00 0.00 0.00 0.00 51.96 51.82 1irp s ALA 56 Cb 0.25 0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.45 1irp s ALA 56 CO -0.07 -0.04 0.55 -0.48 0.00 0.00 0.00 175.76 175.71 1irp s LEU 57 N -1.28 -0.00 -0.19 0.00 2.34 -0.30 -1.10 118.68 118.16 1irp s LEU 57 Ca -0.10 -0.48 -0.07 0.00 0.06 0.00 0.00 54.13 53.55 1irp s LEU 57 Cb -0.08 2.23 -0.04 0.00 -0.56 0.00 0.00 46.19 47.73 1irp s LEU 57 CO -0.00 -1.08 0.06 -0.36 -1.06 0.00 0.00 176.35 173.91 1irp s PHE 58 N -3.87 3.23 0.30 3.48 0.08 -0.18 -0.92 117.98 120.09 1irp s PHE 58 Ca 0.09 0.02 -0.03 0.00 0.12 0.00 0.00 56.93 57.13 1irp s PHE 58 Cb -0.02 -2.10 -0.05 0.00 -0.57 0.00 0.00 43.02 40.29 1irp s PHE 58 CO -0.02 0.09 0.54 -0.51 -0.10 0.00 0.00 175.22 175.22 1irp s LEU 59 N 0.52 4.05 -0.07 -0.37 1.02 -0.79 -1.79 118.68 121.25 1irp s LEU 59 Ca 0.03 0.62 -0.03 0.00 0.02 0.00 0.00 54.13 54.77 1irp s LEU 59 Cb -0.13 -3.44 0.04 0.00 0.02 0.00 0.00 46.19 42.68 1irp s LEU 59 CO 0.01 -0.22 0.14 -0.83 0.02 0.00 0.00 176.35 175.47 1irp s GLY 60 N -3.42 0.01 0.00 -3.19 0.00 -0.20 -1.47 107.32 99.05 1irp s GLY 60 Ca 0.42 0.60 0.08 0.00 0.00 0.00 0.00 44.72 45.82 1irp s GLY 60 CO 0.32 1.19 -0.24 -0.42 0.00 0.00 0.00 173.10 173.95 1irp s ILE 61 N 1.54 1.94 -0.07 0.90 -1.09 -0.59 -0.84 121.20 123.00 1irp s ILE 61 Ca -0.05 -1.13 -0.26 0.00 -2.23 0.00 0.00 60.65 56.98 1irp s ILE 61 Cb -0.12 -1.63 -0.21 0.00 -1.58 0.00 0.00 42.46 38.92 1irp s ILE 61 CO -0.06 0.47 1.01 -0.74 -1.23 0.00 0.00 174.94 174.40 1irp h HIS 62 N 5.31 -0.03 -0.44 3.97 2.76 -1.32 -1.26 115.15 124.14 1irp h HIS 62 Ca -0.43 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 57.81 1irp h HIS 62 Cb 1.13 0.01 -0.07 0.00 1.55 0.00 0.00 27.41 30.03 1irp h HIS 62 CO 0.42 0.63 -0.16 0.41 -1.30 0.00 0.00 177.93 177.93 1irp n GLY 63 N 0.81 -0.87 0.43 5.26 0.00 -1.14 -1.44 105.19 108.24 1irp n GLY 63 Ca -0.09 0.49 0.07 0.00 0.00 0.00 0.00 46.02 46.49 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 -1.22 4.30 3.63 -0.02 0.00 -1.26 -5.04 105.19 105.57 1irp n GLY 64 Ca 0.05 -1.08 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.03 -1.30 -4.09 1.61 0.00 -0.52 -4.64 118.16 108.19 1irp n LYS 65 Ca 0.15 0.53 -0.35 0.00 0.00 0.00 0.00 58.31 58.64 1irp n LYS 65 Cb 0.71 -4.25 -0.10 0.00 0.00 0.00 0.00 35.03 31.39 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 -5.74 3.80 -0.32 1.64 -1.94 -0.48 -1.94 119.30 114.32 1irp s MET 66 Ca 0.45 -0.36 -0.20 0.00 -1.71 0.00 0.00 55.69 53.87 1irp s MET 66 Cb -0.15 -3.13 -0.01 0.00 2.01 0.00 0.00 34.83 33.55 1irp s MET 66 CO 0.85 0.35 0.63 0.00 -0.01 0.00 0.00 175.02 176.84 1irp s LEU 68 N 2.63 3.19 0.16 0.00 1.02 -0.54 -2.12 118.68 123.01 1irp s LEU 68 Ca 0.25 -0.22 -0.07 0.00 0.02 0.00 0.00 54.13 54.12 1irp s LEU 68 Cb -0.15 -1.80 -0.02 0.00 0.02 0.00 0.00 46.19 44.25 1irp s LEU 68 CO 0.13 0.08 0.22 -0.44 0.02 0.00 0.00 176.35 176.36 1irp s SER 69 N 0.89 0.11 -1.01 2.29 0.01 -0.68 -1.88 113.70 113.44 1irp s SER 69 Ca 0.00 -0.99 -0.23 0.00 1.31 0.00 0.00 55.95 56.05 1irp s SER 69 Cb -0.14 0.40 0.05 0.00 0.21 0.00 0.00 66.02 66.54 1irp s SER 69 CO 0.02 -0.85 1.44 0.00 0.41 0.00 0.00 173.24 174.25 1irp s VAL 71 N 4.94 5.32 -0.46 0.00 0.11 -0.18 -4.21 120.40 125.91 1irp s VAL 71 Ca 0.45 -0.40 -0.24 0.00 -2.93 0.00 0.00 61.98 58.86 1irp s VAL 71 Cb -0.00 -3.67 0.03 0.00 -1.53 0.00 0.00 36.38 31.20 1irp s VAL 71 CO -0.09 0.03 0.86 -1.59 -3.33 0.00 0.00 175.10 170.97 1irp s LYS 72 N -2.81 3.45 -1.07 1.54 0.00 -1.26 -1.25 119.74 118.34 1irp s LYS 72 Ca 0.36 -0.00 -0.20 0.00 0.00 0.00 0.00 55.97 56.13 1irp s LYS 72 Cb -0.12 -3.94 0.09 0.00 0.00 0.00 0.00 37.83 33.86 1irp s LYS 72 CO 0.28 -1.19 1.40 0.45 0.00 0.00 0.00 175.35 176.29 1irp s SER 73 N 2.24 6.68 0.00 0.03 0.15 0.20 -4.54 113.70 118.46 1irp s SER 73 Ca 0.33 -2.02 0.00 0.00 0.70 0.00 0.00 55.95 54.96 1irp s SER 73 Cb -0.11 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1irp s SER 73 CO 0.24 -1.21 0.00 0.61 1.20 0.00 0.00 173.24 174.08 1irp n GLY 74 N 5.82 2.21 0.00 9.45 0.00 -1.26 -3.62 105.19 117.79 1irp n GLY 74 Ca 0.34 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 4.43 0.00 -4.71 1.61 2.03 -1.26 -5.11 116.55 113.53 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 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 1irp n ASP 75 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1irp s GLU 76 N -0.37 4.45 -0.28 -0.67 4.04 -1.24 -4.88 118.70 119.76 1irp s GLU 76 Ca 0.00 1.69 -0.24 0.00 0.04 0.00 0.00 54.97 56.46 1irp s GLU 76 Cb 0.00 -3.39 -0.00 0.00 0.02 0.00 0.00 34.13 30.76 1irp s GLU 76 CO 0.00 -0.23 0.81 0.99 -1.84 0.00 0.00 175.26 174.99 1irp s THR 77 N 1.17 4.80 0.14 1.83 2.01 -1.26 -0.63 115.64 123.70 1irp s THR 77 Ca 0.57 1.34 -0.05 0.00 0.31 0.00 0.00 61.69 63.85 1irp s THR 77 Cb -0.27 -4.14 -0.02 0.00 0.01 0.00 0.00 72.50 68.08 1irp s THR 77 CO 0.28 -0.19 0.17 0.00 -0.69 0.00 0.00 174.62 174.19 1irp s ARG 78 N 2.94 1.02 -0.54 4.92 1.70 -0.38 -4.60 118.95 124.01 1irp s ARG 78 Ca 0.34 -1.26 -0.28 0.00 -0.47 0.00 0.00 55.73 54.05 1irp s ARG 78 Cb -0.14 0.31 0.01 0.00 -0.57 0.00 0.00 34.95 34.56 1irp s ARG 78 CO 0.11 -0.33 1.40 -1.17 -1.08 0.00 0.00 175.30 174.22 1irp s LEU 79 N -2.99 3.43 0.00 -1.89 2.96 -1.26 -1.02 118.68 117.92 1irp s LEU 79 Ca 0.18 0.35 0.00 0.00 -0.22 0.00 0.00 54.13 54.44 1irp s LEU 79 Cb 0.05 -3.13 0.00 0.00 0.50 0.00 0.00 46.19 43.61 1irp s LEU 79 CO -0.01 -1.66 0.00 1.67 -1.32 0.00 0.00 176.35 175.04 1irp n GLN 80 N 8.56 0.00 0.00 1.98 -0.06 -0.79 -4.91 117.38 122.16 1irp n GLN 80 Ca 0.13 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.13 1irp n GLN 80 Cb 0.49 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.67 1irp n GLN 80 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 1irp n LEU 81 N 0.00 0.00 0.00 1.69 -0.00 -1.26 -1.68 117.00 115.75 1irp n LEU 81 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.97 1irp n LEU 81 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.43 1irp n LEU 81 CO 0.00 0.00 0.38 1.21 -0.00 0.00 0.00 177.39 178.98 1irp n GLU 82 N 0.16 0.53 -2.40 1.96 0.00 -0.90 -5.02 120.64 114.96 1irp n GLU 82 Ca 0.00 -1.08 -0.43 0.00 0.00 0.00 0.00 57.16 55.65 1irp n GLU 82 Cb 0.00 1.40 -0.02 0.00 0.00 0.00 0.00 31.44 32.81 1irp n GLU 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1irp s ALA 83 N -1.61 3.63 -0.03 4.31 0.00 -1.26 -0.63 121.76 126.17 1irp s ALA 83 Ca 0.11 0.53 -0.00 0.00 0.00 0.00 0.00 51.96 52.60 1irp s ALA 83 Cb -0.02 -3.61 0.03 0.00 0.00 0.00 0.00 23.12 19.52 1irp s ALA 83 CO 0.05 -1.10 0.03 0.08 0.00 0.00 0.00 175.76 174.82 1irp s VAL 84 N 3.26 -0.00 -0.17 0.00 1.01 -0.82 -4.90 120.40 118.78 1irp s VAL 84 Ca 0.56 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.77 1irp s VAL 84 Cb -0.23 -0.15 0.17 0.00 0.00 0.00 0.00 36.38 36.17 1irp s VAL 84 CO 0.17 0.12 1.59 -0.46 0.00 0.00 0.00 175.10 176.53 1irp n ASN 85 N 4.40 4.44 -2.46 3.32 6.94 -1.26 -4.75 115.26 125.89 1irp n ASN 85 Ca -0.23 -2.63 -0.01 0.00 -0.02 0.00 0.00 54.58 51.69 1irp n ASN 85 Cb 0.50 -0.81 -0.01 0.00 -2.36 0.00 0.00 39.78 37.11 1irp n ASN 85 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1irp n ILE 86 N 0.33 -4.21 0.00 1.53 0.00 -1.26 -5.05 119.36 110.69 1irp n ILE 86 Ca 0.19 0.89 0.00 0.00 0.00 0.00 0.00 62.75 63.83 1irp n ILE 86 Cb 0.73 -3.21 0.00 0.00 0.00 0.00 0.00 39.64 37.15 1irp n ILE 86 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 1irp n THR 87 N 2.10 0.00 -3.11 9.51 5.66 -1.26 -5.02 114.28 122.16 1irp n THR 87 Ca -0.05 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.76 1irp n THR 87 Cb 0.08 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.83 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 -0.03 -4.05 1.09 2.03 -1.26 -5.07 116.55 109.02 1irp n ASP 88 Ca 0.00 -2.97 -0.35 0.00 0.52 0.00 0.00 54.79 52.00 1irp n ASP 88 Cb 0.00 -0.20 -0.11 0.00 -0.72 0.00 0.00 41.12 40.09 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 -1.77 4.97 -0.22 -2.67 2.01 -1.26 -5.09 118.68 114.65 1irp s LEU 89 Ca 0.36 -2.87 -0.27 0.00 0.01 0.00 0.00 54.13 51.36 1irp s LEU 89 Cb 0.26 -1.79 0.00 0.00 0.01 0.00 0.00 46.19 44.67 1irp s LEU 89 CO -0.10 -0.33 0.94 -0.94 1.01 0.00 0.00 176.35 176.92 1irp s SER 90 N 0.44 7.00 -0.74 2.29 1.04 -1.26 -3.84 113.70 118.64 1irp s SER 90 Ca 0.17 1.25 -0.27 0.00 0.48 0.00 0.00 55.95 57.58 1irp s SER 90 Cb -0.22 -2.49 0.03 0.00 0.10 0.00 0.00 66.02 63.43 1irp s SER 90 CO -0.03 -0.57 1.32 -1.61 0.98 0.00 0.00 173.24 173.34 1irp s GLU 91 N 2.85 3.16 -0.75 4.02 2.02 -1.26 -4.97 118.70 123.77 1irp s GLU 91 Ca 0.40 -0.20 -0.18 0.00 0.02 0.00 0.00 54.97 55.01 1irp s GLU 91 Cb -0.16 -4.21 0.13 0.00 0.10 0.00 0.00 34.13 29.99 1irp s GLU 91 CO 0.08 -2.19 0.87 1.21 0.02 0.00 0.00 175.26 175.25 1irp s ASN 92 N 4.04 6.43 0.10 -0.19 2.47 -1.26 -4.92 114.94 121.62 1irp s ASN 92 Ca 0.37 -1.83 -0.06 0.00 0.42 0.00 0.00 52.86 51.76 1irp s ASN 92 Cb -0.08 -2.32 -0.17 0.00 -1.45 0.00 0.00 41.25 37.23 1irp s ASN 92 CO 0.15 -1.02 1.24 0.03 -3.72 0.00 0.00 177.10 173.77 1irp h ARG 93 N 8.84 0.43 -3.36 0.43 -0.00 -1.99 -3.36 114.38 115.38 1irp h ARG 93 Ca -0.08 -0.52 -0.71 0.00 -0.50 0.00 0.00 59.98 58.17 1irp h ARG 93 Cb 1.06 0.16 -0.06 0.00 0.00 0.00 0.00 29.97 31.13 1irp h ARG 93 CO 1.04 1.18 3.02 0.36 0.00 0.00 0.00 179.97 185.57 1irp n LYS 94 N -3.72 3.56 -1.63 0.04 0.00 -1.26 -4.80 118.16 110.35 1irp n LYS 94 Ca -0.08 -2.81 0.00 0.00 -0.00 0.00 0.00 58.31 55.42 1irp n LYS 94 Cb 0.90 -2.96 0.00 0.00 -0.00 0.00 0.00 35.03 32.97 1irp n LYS 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1irp n GLN 95 N 4.14 -3.55 -0.18 -1.58 -0.00 -1.26 -5.11 117.38 109.84 1irp n GLN 95 Ca 0.60 2.61 0.00 0.00 -0.00 0.00 0.00 57.00 60.21 1irp n GLN 95 Cb 0.31 -3.07 0.00 0.00 -0.00 0.00 0.00 30.24 27.48 1irp n GLN 95 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1irp n ASP 96 N -0.31 0.81 0.00 2.61 2.03 -1.26 -5.01 116.55 115.41 1irp n ASP 96 Ca 0.00 -0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.18 1irp n ASP 96 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1irp n ASP 96 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1irp n LYS 97 N -0.08 0.00 -2.43 -0.67 4.76 -1.26 -5.01 118.16 113.48 1irp n LYS 97 Ca 0.00 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 1irp n LYS 97 Cb 0.00 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.20 1irp n LYS 97 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1irp n ARG 98 N 0.00 4.36 0.00 1.97 0.63 -1.26 -4.24 116.66 118.13 1irp n ARG 98 Ca 0.00 -3.90 0.00 0.00 -0.92 0.00 0.00 57.85 53.03 1irp n ARG 98 Cb 0.00 -2.68 0.00 0.00 0.45 0.00 0.00 32.46 30.23 1irp n ARG 98 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1irp n PHE 99 N 2.11 0.00 -3.96 -0.14 3.72 -1.26 -3.92 117.46 114.01 1irp n PHE 99 Ca 0.44 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.63 1irp n PHE 99 Cb 0.31 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.82 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 -0.16 3.85 -0.11 4.37 0.00 -0.74 -3.69 121.76 125.29 1irp s ALA 100 Ca 0.00 -1.32 0.02 0.00 0.00 0.00 0.00 51.96 50.66 1irp s ALA 100 Cb 0.00 -1.57 -0.01 0.00 0.00 0.00 0.00 23.12 21.54 1irp s ALA 100 CO 0.00 0.21 -0.20 0.12 0.00 0.00 0.00 175.76 175.89 1irp s PHE 101 N -2.06 2.65 -0.26 0.00 5.36 -0.09 -1.02 117.98 122.57 1irp s PHE 101 Ca 0.35 -0.88 -0.18 0.00 -0.96 0.00 0.00 56.93 55.26 1irp s PHE 101 Cb -0.09 -1.76 -0.03 0.00 -0.34 0.00 0.00 43.02 40.81 1irp s PHE 101 CO 0.28 -0.33 0.50 0.42 -1.46 0.00 0.00 175.22 174.63 1irp s ILE 102 N 0.33 5.08 -0.78 3.12 1.01 -0.85 -1.15 121.20 127.96 1irp s ILE 102 Ca -0.16 0.86 -0.21 0.00 0.00 0.00 0.00 60.65 61.14 1irp s ILE 102 Cb -0.17 -3.82 0.10 0.00 0.01 0.00 0.00 42.46 38.58 1irp s ILE 102 CO 0.08 0.10 1.03 0.00 0.00 0.00 0.00 174.94 176.15 1irp s ARG 103 N 2.23 3.33 -0.91 2.79 1.70 -0.49 -1.94 118.95 125.66 1irp s ARG 103 Ca 0.21 -1.28 -0.22 0.00 -0.47 0.00 0.00 55.73 53.97 1irp s ARG 103 Cb -0.16 -4.56 0.07 0.00 -0.57 0.00 0.00 34.95 29.73 1irp s ARG 103 CO 0.09 -1.79 1.28 0.45 -1.08 0.00 0.00 175.30 174.25 1irp s SER 104 N 3.70 6.44 0.28 -2.89 0.15 -1.18 -4.87 113.70 115.32 1irp s SER 104 Ca 0.27 -1.40 0.02 0.00 0.70 0.00 0.00 55.95 55.54 1irp s SER 104 Cb -0.12 -2.50 -0.04 0.00 -1.71 0.00 0.00 66.02 61.65 1irp s SER 104 CO 0.01 -1.43 0.13 1.51 1.20 0.00 0.00 173.24 174.66 1irp s ASP 105 N 4.27 1.34 -0.41 5.45 1.47 -1.26 -3.42 116.67 124.11 1irp s ASP 105 Ca 0.38 -1.48 0.09 0.00 1.18 0.00 0.00 52.55 52.72 1irp s ASP 105 Cb -0.05 0.30 0.34 0.00 -0.34 0.00 0.00 42.92 43.18 1irp s ASP 105 CO -0.04 -0.83 0.98 -1.20 0.68 0.00 0.00 175.17 174.77 1irp n SER 106 N -0.72 -0.92 0.00 2.11 7.64 -1.26 -5.07 113.62 115.40 1irp n SER 106 Ca 0.01 -3.30 0.00 0.00 1.01 0.00 0.00 58.87 56.58 1irp n SER 106 Cb 0.65 0.78 0.00 0.00 -1.01 0.00 0.00 64.21 64.63 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 0.24 1.13 0.36 0.23 0.00 -1.26 -4.88 105.19 101.01 1irp n GLY 107 Ca 0.13 -0.66 -0.14 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.84 -5.77 1.61 0.11 -1.97 -3.44 132.00 121.70 1irp h PRO 108 Ca 0.00 0.06 -0.49 0.00 0.11 0.00 0.00 66.00 65.68 1irp h PRO 108 Cb 0.00 0.19 -0.22 0.00 0.11 0.00 0.00 31.00 31.08 1irp h PRO 108 CO 0.00 -0.54 -0.81 0.95 -0.21 0.00 0.00 178.00 177.40 1irp s THR 109 N -4.65 1.43 0.45 -1.15 -4.23 -1.26 -2.61 115.64 103.62 1irp s THR 109 Ca -0.14 -1.40 0.01 0.00 -1.18 0.00 0.00 61.69 58.98 1irp s THR 109 Cb 0.02 -1.32 0.01 0.00 1.34 0.00 0.00 72.50 72.55 1irp s THR 109 CO 0.43 -0.12 0.12 1.07 -0.54 0.00 0.00 174.62 175.58 1irp n THR 110 N 1.23 0.00 -3.80 3.99 5.66 0.40 -4.25 114.28 117.51 1irp n THR 110 Ca -0.20 -1.98 -0.09 0.00 -3.05 0.00 0.00 64.05 58.72 1irp n THR 110 Cb 0.54 0.24 -0.07 0.00 -1.55 0.00 0.00 70.33 69.49 1irp n THR 110 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1irp s SER 111 N -3.51 0.02 -0.43 1.09 1.04 -1.22 -1.95 113.70 108.74 1irp s SER 111 Ca 0.09 -0.53 -0.08 0.00 0.48 0.00 0.00 55.95 55.91 1irp s SER 111 Cb -0.01 0.36 0.10 0.00 0.10 0.00 0.00 66.02 66.57 1irp s SER 111 CO 0.06 -0.73 0.28 -0.36 0.98 0.00 0.00 173.24 173.46 1irp s PHE 112 N -3.66 3.39 0.34 5.02 0.40 -0.59 -3.13 117.98 119.76 1irp s PHE 112 Ca 0.03 -1.76 -0.10 0.00 -0.60 0.00 0.00 56.93 54.51 1irp s PHE 112 Cb 0.03 -3.16 -0.07 0.00 0.51 0.00 0.00 43.02 40.34 1irp s PHE 112 CO -0.10 -0.91 0.68 -1.21 0.70 0.00 0.00 175.22 174.37 1irp s GLU 113 N 1.37 3.78 -0.11 0.44 0.41 -0.82 -0.89 118.70 122.87 1irp s GLU 113 Ca 0.04 0.35 -0.10 0.00 -0.41 0.00 0.00 54.97 54.86 1irp s GLU 113 Cb -0.24 -2.50 0.03 0.00 -1.78 0.00 0.00 34.13 29.64 1irp s GLU 113 CO 0.00 0.11 0.30 0.45 -0.49 0.00 0.00 175.26 175.63 1irp s SER 114 N -2.92 -0.32 0.00 -0.19 0.15 0.19 -2.01 113.70 108.61 1irp s SER 114 Ca 0.49 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.75 1irp s SER 114 Cb -0.10 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 1irp s SER 114 CO 0.27 -0.12 0.00 0.00 1.20 0.00 0.00 173.24 174.60 1irp n ALA 115 N 3.19 0.00 -1.00 5.45 0.00 -0.19 -2.00 120.51 125.96 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 0.91 0.00 -0.02 0.00 0.00 -1.26 -1.79 120.51 118.35 1irp n ALA 116 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1irp n ALA 116 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.32 1.24 0.00 0.00 0.04 -1.26 -4.69 135.00 129.01 1irp s PRO 118 Ca -0.04 0.92 0.00 0.00 0.04 0.00 0.00 61.00 61.92 1irp s PRO 118 Cb 0.01 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.75 1irp s PRO 118 CO 0.05 -2.28 0.00 0.41 0.04 0.00 0.00 177.00 175.23 1irp n GLY 119 N -0.93 1.68 3.53 0.56 0.00 -1.26 -4.40 105.19 104.37 1irp n GLY 119 Ca 0.07 -0.81 -0.16 0.00 0.00 0.00 0.00 46.02 45.13 1irp n GLY 119 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1irp s TRP 120 N 0.00 -0.66 -0.11 1.61 -0.00 -0.85 -4.89 118.94 114.04 1irp s TRP 120 Ca 0.00 1.39 -0.04 0.00 -0.00 0.00 0.00 56.10 57.46 1irp s TRP 120 Cb 0.00 0.31 0.05 0.00 -0.00 0.00 0.00 33.47 33.83 1irp s TRP 120 CO 0.00 -0.47 0.14 -0.59 -0.00 0.00 0.00 176.95 176.03 1irp s PHE 121 N -0.43 -0.07 0.00 5.86 -0.71 -0.23 -0.63 117.98 121.76 1irp s PHE 121 Ca -0.06 0.27 0.00 0.00 -1.04 0.00 0.00 56.93 56.11 1irp s PHE 121 Cb -0.03 -0.42 0.00 0.00 -1.21 0.00 0.00 43.02 41.37 1irp s PHE 121 CO 0.05 -0.36 0.00 -0.11 -1.34 0.00 0.00 175.22 173.46 1irp n LEU 122 N 5.31 0.00 0.00 -1.99 7.94 -0.07 -1.70 117.00 126.49 1irp n LEU 122 Ca -0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.85 1irp n LEU 122 Cb 0.50 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.45 1irp n LEU 122 CO 0.07 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.35 1irp s THR 124 N 2.08 -0.67 0.22 0.00 2.01 -1.25 -2.03 115.64 116.00 1irp s THR 124 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1irp s THR 124 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 1irp s THR 124 CO 0.00 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 173.93 1irp n ALA 125 N 5.07 -2.70 -0.07 7.40 0.00 -0.80 -4.02 120.51 125.39 1irp n ALA 125 Ca -0.14 0.32 -0.08 0.00 0.00 0.00 0.00 53.44 53.54 1irp n ALA 125 Cb 0.52 -0.93 -0.04 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.18 0.00 0.00 0.00 4.05 -1.92 -1.40 114.93 114.48 1irp h MET 126 Ca -0.05 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1irp h MET 126 Cb 1.07 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.87 1irp h MET 126 CO 0.02 0.28 0.00 -1.91 0.23 0.00 0.00 176.91 175.54 1irp n GLU 127 N -4.62 2.27 -0.88 0.39 0.00 -1.26 -4.31 120.64 112.23 1irp n GLU 127 Ca -0.11 0.00 -0.27 0.00 0.00 0.00 0.00 57.16 56.78 1irp n GLU 127 Cb 0.30 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.72 1irp n GLU 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1irp n ALA 128 N -3.00 4.83 0.00 4.31 0.00 -1.26 -4.00 120.51 121.38 1irp n ALA 128 Ca 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 53.44 51.06 1irp n ALA 128 Cb 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 19.45 16.31 1irp n ALA 128 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1irp n ASP 129 N 4.65 0.00 -4.81 0.00 2.03 -1.21 -3.37 116.55 113.84 1irp n ASP 129 Ca 0.49 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.51 1irp n ASP 129 Cb 0.18 0.26 0.10 0.00 -0.72 0.00 0.00 41.12 40.95 1irp n ASP 129 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1irp s GLN 130 N -1.53 1.75 0.20 -0.67 1.11 -1.26 -4.55 119.66 114.71 1irp s GLN 130 Ca 0.00 0.07 0.01 0.00 0.01 0.00 0.00 55.36 55.45 1irp s GLN 130 Cb 0.00 -1.93 0.04 0.00 -1.01 0.00 0.00 33.01 30.11 1irp s GLN 130 CO 0.00 -1.74 0.28 -0.35 0.01 0.00 0.00 175.29 173.49 1irp n PRO 131 N -3.40 0.59 -1.75 2.91 -0.04 -1.26 -1.65 135.00 130.40 1irp n PRO 131 Ca 0.09 -0.86 -0.42 0.00 -0.04 0.00 0.00 63.50 62.26 1irp n PRO 131 Cb 0.61 -0.15 -0.03 0.00 -0.04 0.00 0.00 33.50 33.89 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 -0.48 2.25 -0.20 0.52 0.11 -0.60 -1.90 120.40 120.09 1irp s VAL 132 Ca 0.19 0.08 -0.27 0.00 -2.93 0.00 0.00 61.98 59.05 1irp s VAL 132 Cb -0.01 -3.05 0.09 0.00 -1.53 0.00 0.00 36.38 31.88 1irp s VAL 132 CO 0.13 0.00 0.85 -0.44 -3.33 0.00 0.00 175.10 172.31 1irp s SER 133 N 1.66 -0.58 0.52 3.54 0.01 -0.86 -4.90 113.70 113.10 1irp s SER 133 Ca 0.76 0.94 0.05 0.00 1.31 0.00 0.00 55.95 59.01 1irp s SER 133 Cb -0.48 0.89 0.02 0.00 0.21 0.00 0.00 66.02 66.66 1irp s SER 133 CO 0.33 -0.32 0.36 -0.76 0.41 0.00 0.00 173.24 173.26 1irp s LEU 134 N -0.28 2.75 0.11 2.44 2.01 -1.26 -1.50 118.68 122.95 1irp s LEU 134 Ca -0.02 -1.23 0.03 0.00 0.01 0.00 0.00 54.13 52.92 1irp s LEU 134 Cb -0.03 -1.24 -0.04 0.00 0.01 0.00 0.00 46.19 44.89 1irp s LEU 134 CO 0.01 -1.02 -0.08 0.28 1.01 0.00 0.00 176.35 176.56 1irp s THR 135 N -2.74 0.86 -0.22 5.49 -1.32 -0.69 -4.78 115.64 112.24 1irp s THR 135 Ca 0.34 -1.96 -0.16 0.00 -1.21 0.00 0.00 61.69 58.70 1irp s THR 135 Cb -0.02 -1.72 -0.10 0.00 -1.51 0.00 0.00 72.50 69.16 1irp s THR 135 CO 0.21 -0.82 -0.28 -0.46 -2.21 0.00 0.00 174.62 171.06 1irp n ASN 136 N -0.06 1.93 -4.67 8.08 6.94 -1.26 -1.07 115.26 125.14 1irp n ASN 136 Ca -0.12 0.37 -0.43 0.00 -0.02 0.00 0.00 54.58 54.39 1irp n ASN 136 Cb 0.61 -0.81 -0.02 0.00 -2.36 0.00 0.00 39.78 37.19 1irp n ASN 136 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1irp s MET 137 N -2.62 4.31 0.76 -3.83 -1.94 -1.26 -4.98 119.30 109.73 1irp s MET 137 Ca -0.32 1.39 -0.16 0.00 -1.71 0.00 0.00 55.69 54.89 1irp s MET 137 Cb 0.09 -3.61 -0.04 0.00 2.01 0.00 0.00 34.83 33.28 1irp s MET 137 CO 0.45 -0.53 0.44 -2.30 -0.01 0.00 0.00 175.02 173.07 1irp n PRO 138 N 5.90 0.20 -2.81 2.03 -0.02 -1.26 -5.01 135.00 134.02 1irp n PRO 138 Ca 0.11 0.11 -0.37 0.00 -2.02 0.00 0.00 63.50 61.32 1irp n PRO 138 Cb 0.47 -1.77 -0.06 0.00 -0.02 0.00 0.00 33.50 32.11 1irp n PRO 138 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1irp s ASP 139 N -1.51 7.35 -0.57 2.55 -1.08 -1.26 -5.02 116.67 117.12 1irp s ASP 139 Ca 0.63 1.80 0.02 0.00 -0.52 0.00 0.00 52.55 54.49 1irp s ASP 139 Cb -0.33 -2.56 0.41 0.00 -1.46 0.00 0.00 42.92 38.97 1irp s ASP 139 CO 0.60 -0.03 1.49 1.21 0.52 0.00 0.00 175.17 178.97 1irp n GLU 140 N 0.70 3.18 -1.98 4.34 2.13 -1.26 -4.90 120.64 122.85 1irp n GLU 140 Ca 0.01 -4.05 -0.03 0.00 0.66 0.00 0.00 57.16 53.75 1irp n GLU 140 Cb 0.50 -2.26 0.02 0.00 0.27 0.00 0.00 31.44 29.96 1irp n GLU 140 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1irp n GLY 141 N -0.57 0.42 1.24 8.31 0.00 -1.26 -5.06 105.19 108.28 1irp n GLY 141 Ca 0.46 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.83 0.81 -2.86 1.61 3.14 -1.26 -5.09 118.33 112.85 1irp n VAL 142 Ca -0.03 0.27 -0.31 0.00 -2.96 0.00 0.00 64.34 61.32 1irp n VAL 142 Cb 0.53 -1.26 -0.03 0.00 -1.06 0.00 0.00 33.84 32.01 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 -1.83 3.80 -0.87 1.45 -1.94 -1.26 -4.59 119.30 114.06 1irp s MET 143 Ca 0.00 0.50 -0.22 0.00 -1.71 0.00 0.00 55.69 54.26 1irp s MET 143 Cb 0.00 -2.39 0.08 0.00 2.01 0.00 0.00 34.83 34.53 1irp s MET 143 CO 0.00 -0.03 1.23 0.54 -0.01 0.00 0.00 175.02 176.75 1irp s VAL 144 N -2.35 4.21 -0.56 -6.03 0.11 -0.53 -4.90 120.40 110.36 1irp s VAL 144 Ca 0.52 -0.74 0.01 0.00 -2.93 0.00 0.00 61.98 58.84 1irp s VAL 144 Cb -0.10 -4.88 0.54 0.00 -1.53 0.00 0.00 36.38 30.41 1irp s VAL 144 CO 0.30 -1.70 1.95 1.07 -3.33 0.00 0.00 175.10 173.39 1irp n THR 145 N 6.19 3.40 -3.53 5.04 5.66 -1.26 -4.26 114.28 125.52 1irp n THR 145 Ca 0.18 -2.56 -0.28 0.00 -3.05 0.00 0.00 64.05 58.34 1irp n THR 145 Cb 0.49 -0.86 -0.11 0.00 -1.55 0.00 0.00 70.33 68.30 1irp n THR 145 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1irp s LYS 146 N -3.59 1.05 -0.20 1.09 1.02 -1.23 -4.30 119.74 113.57 1irp s LYS 146 Ca 0.61 -2.01 -0.11 0.00 0.02 0.00 0.00 55.97 54.48 1irp s LYS 146 Cb 0.49 -1.78 -0.05 0.00 -0.52 0.00 0.00 37.83 35.97 1irp s LYS 146 CO 0.04 -1.28 0.16 -0.06 -0.92 0.00 0.00 175.35 173.28 1irp s PHE 147 N 0.22 3.40 -0.07 3.18 0.08 -0.82 -4.81 117.98 119.17 1irp s PHE 147 Ca 0.25 0.35 -0.30 0.00 0.12 0.00 0.00 56.93 57.36 1irp s PHE 147 Cb -0.10 -2.21 -0.03 0.00 -0.57 0.00 0.00 43.02 40.12 1irp s PHE 147 CO -0.10 0.25 1.16 -0.47 -0.10 0.00 0.00 175.22 175.96 1irp s TYR 148 N 0.49 3.24 -0.18 0.36 5.04 0.66 -0.46 117.35 126.51 1irp s TYR 148 Ca 0.09 1.29 -0.29 0.00 -2.44 0.00 0.00 57.07 55.72 1irp s TYR 148 Cb -0.12 -3.38 -0.00 0.00 0.35 0.00 0.00 41.96 38.82 1irp s TYR 148 CO -0.00 -1.10 1.06 0.12 -1.34 0.00 0.00 175.55 174.29 1irp s PHE 149 N 2.26 3.34 -0.36 4.97 2.19 -1.07 -1.98 117.98 127.32 1irp s PHE 149 Ca 0.54 1.45 0.02 0.00 0.33 0.00 0.00 56.93 59.26 1irp s PHE 149 Cb -0.23 -3.28 0.11 0.00 -1.31 0.00 0.00 43.02 38.31 1irp s PHE 149 CO 0.20 -0.57 0.12 -0.65 1.83 0.00 0.00 175.22 176.16 1irp s GLN 150 N 2.82 1.16 0.02 10.12 -1.52 -0.44 -5.04 119.66 126.80 1irp s GLN 150 Ca 0.47 -1.63 -0.21 0.00 -1.95 0.00 0.00 55.36 52.04 1irp s GLN 150 Cb -0.17 -2.53 -0.06 0.00 -0.22 0.00 0.00 33.01 30.03 1irp s GLN 150 CO 0.11 -1.02 0.60 -1.83 -0.25 0.00 0.00 175.29 172.91 1irp s GLU 151 N 0.99 4.31 -0.55 2.91 -1.05 -1.26 -1.28 118.70 122.76 1irp s GLU 151 Ca 0.12 0.77 -0.20 0.00 -0.15 0.00 0.00 54.97 55.51 1irp s GLU 151 Cb -0.20 -3.32 0.03 0.00 -0.44 0.00 0.00 34.13 30.20 1irp s GLU 151 CO -0.13 0.44 0.64 -0.25 0.95 0.00 0.00 175.26 176.91 1irp n ASP 152 N 2.45 -6.44 0.00 0.83 8.00 -0.28 -4.98 116.55 116.12 1irp n ASP 152 Ca -0.07 -0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.34 1irp n ASP 152 Cb 0.51 -3.29 0.00 0.00 -0.02 0.00 0.00 41.12 38.32 1irp n ASP 152 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02