#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r9p n ALA 2 N 0.00 0.00 -2.71 3.04 0.00 -1.26 -5.14 120.51 114.44 1r9p n ALA 2 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1r9p n ALA 2 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1r9p n ALA 2 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1r9p s TYR 3 N 1.73 3.08 0.30 0.00 1.51 -1.26 -5.12 117.35 117.59 1r9p s TYR 3 Ca 0.00 0.04 0.05 0.00 -1.01 0.00 0.00 57.07 56.16 1r9p s TYR 3 Cb 0.00 -1.61 -0.02 0.00 -0.11 0.00 0.00 41.96 40.22 1r9p s TYR 3 CO 0.00 0.49 0.44 -1.12 -1.11 0.00 0.00 175.55 174.24 1r9p s SER 4 N -2.06 6.14 0.00 2.29 0.01 -1.26 -5.01 113.70 113.81 1r9p s SER 4 Ca 0.24 -0.00 0.04 0.00 1.31 0.00 0.00 55.95 57.54 1r9p s SER 4 Cb -0.12 -1.59 0.05 0.00 0.21 0.00 0.00 66.02 64.58 1r9p s SER 4 CO 0.16 -0.27 0.78 -0.62 0.41 0.00 0.00 173.24 173.70 1r9p n GLU 5 N -1.57 0.70 -2.58 12.44 1.02 -1.26 -5.03 120.64 124.37 1r9p n GLU 5 Ca -0.04 -1.05 -0.07 0.00 -0.02 0.00 0.00 57.16 55.97 1r9p n GLU 5 Cb 0.57 -1.08 -0.02 0.00 -0.02 0.00 0.00 31.44 30.90 1r9p n GLU 5 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1r9p n LYS 6 N 0.08 1.53 -1.06 3.49 2.85 -1.26 -5.17 118.16 118.62 1r9p n LYS 6 Ca 0.03 -0.80 0.00 0.00 -1.05 0.00 0.00 58.31 56.48 1r9p n LYS 6 Cb 0.17 0.26 0.00 0.00 -0.65 0.00 0.00 35.03 34.81 1r9p n LYS 6 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 1r9p n VAL 7 N -0.26 0.00 -0.94 0.58 0.24 -1.26 -5.09 118.33 111.60 1r9p n VAL 7 Ca -0.04 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.94 1r9p n VAL 7 Cb 0.14 0.00 0.03 0.00 -1.47 0.00 0.00 33.84 32.54 1r9p n VAL 7 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1r9p n ILE 8 N 0.00 0.00 0.00 1.34 3.06 -1.26 -4.98 119.36 117.52 1r9p n ILE 8 Ca 0.00 -0.44 0.00 0.00 -2.50 0.00 0.00 62.75 59.81 1r9p n ILE 8 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 1r9p n ILE 8 CO 0.00 0.00 0.00 -0.90 -2.50 0.00 0.00 176.55 173.15 1r9p n ASP 9 N 2.85 0.00 -5.00 9.51 5.68 -1.26 -5.16 116.55 123.17 1r9p n ASP 9 Ca 0.01 0.00 -0.18 0.00 -0.50 0.00 0.00 54.79 54.11 1r9p n ASP 9 Cb 0.47 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.48 1r9p n ASP 9 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 1r9p s HIS 10 N 2.83 2.44 -1.73 2.11 2.46 -1.26 -4.96 115.29 117.18 1r9p s HIS 10 Ca 0.00 -0.42 0.00 0.00 0.47 0.00 0.00 55.06 55.11 1r9p s HIS 10 Cb 0.00 -2.41 0.00 0.00 -0.13 0.00 0.00 32.58 30.04 1r9p s HIS 10 CO 0.00 -0.70 0.77 0.66 -2.47 0.00 0.00 174.74 173.00 1r9p n TYR 11 N -2.04 0.00 -3.66 3.88 4.02 -1.26 -4.98 117.16 113.12 1r9p n TYR 11 Ca 0.10 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 58.02 1r9p n TYR 11 Cb 0.60 -0.02 -0.01 0.00 -0.02 0.00 0.00 39.34 39.89 1r9p n TYR 11 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1r9p n GLU 12 N -0.35 -0.42 -3.20 -0.72 1.02 -1.26 -4.54 120.64 111.17 1r9p n GLU 12 Ca 0.00 0.28 -0.23 0.00 -0.02 0.00 0.00 57.16 57.18 1r9p n GLU 12 Cb 0.06 -0.51 -0.06 0.00 -0.02 0.00 0.00 31.44 30.91 1r9p n GLU 12 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1r9p n ASN 13 N -3.37 1.64 -0.12 1.62 4.05 -1.26 -4.98 115.26 112.84 1r9p n ASN 13 Ca 0.00 -3.06 -0.12 0.00 0.45 0.00 0.00 54.58 51.84 1r9p n ASN 13 Cb 0.10 -0.63 -0.09 0.00 1.23 0.00 0.00 39.78 40.39 1r9p n ASN 13 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1r9p h PRO 14 N 3.60 -0.35 -6.15 1.20 0.11 -2.03 -3.35 132.00 125.02 1r9p h PRO 14 Ca 0.11 0.02 -0.60 0.00 0.11 0.00 0.00 66.00 65.65 1r9p h PRO 14 Cb 0.81 0.08 -0.10 0.00 0.11 0.00 0.00 31.00 31.90 1r9p h PRO 14 CO 0.59 -0.23 0.59 0.50 -0.21 0.00 0.00 178.00 179.25 1r9p s ARG 15 N -5.33 3.60 0.30 1.05 6.06 -1.26 -4.99 118.95 118.38 1r9p s ARG 15 Ca -0.13 0.25 -0.26 0.00 -2.50 0.00 0.00 55.73 53.10 1r9p s ARG 15 Cb 0.07 -3.90 -0.15 0.00 0.06 0.00 0.00 34.95 31.03 1r9p s ARG 15 CO 0.54 -1.17 0.55 0.09 -2.50 0.00 0.00 175.30 172.82 1r9p n ASN 16 N 7.10 -0.92 -4.59 -2.12 4.13 -1.26 -4.84 115.26 112.77 1r9p n ASN 16 Ca 0.06 1.04 -0.33 0.00 1.68 0.00 0.00 54.58 57.03 1r9p n ASN 16 Cb 0.48 -1.04 0.13 0.00 -1.54 0.00 0.00 39.78 37.81 1r9p n ASN 16 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1r9p n VAL 17 N -0.31 1.09 0.00 2.41 0.24 -1.26 -4.99 118.33 115.51 1r9p n VAL 17 Ca 0.14 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 1r9p n VAL 17 Cb 0.32 -0.96 0.00 0.00 -1.47 0.00 0.00 33.84 31.73 1r9p n VAL 17 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1r9p n GLY 18 N 0.87 0.07 3.75 7.63 0.00 -1.26 -5.02 105.19 111.23 1r9p n GLY 18 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1r9p n GLY 18 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r9p s SER 19 N -2.10 7.20 0.00 1.61 0.01 -1.26 -5.02 113.70 114.13 1r9p s SER 19 Ca 0.00 2.28 0.00 0.00 1.31 0.00 0.00 55.95 59.54 1r9p s SER 19 Cb 0.00 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.61 1r9p s SER 19 CO 0.00 -0.22 0.00 0.18 0.41 0.00 0.00 173.24 173.61 1r9p n LEU 20 N 1.51 0.00 -0.07 2.44 4.32 -1.26 -4.76 117.00 119.18 1r9p n LEU 20 Ca 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 56.01 56.08 1r9p n LEU 20 Cb 0.45 0.00 0.49 0.00 -1.62 0.00 0.00 43.42 42.73 1r9p n LEU 20 CO 0.55 0.00 0.82 0.47 -1.22 0.00 0.00 177.39 178.00 1r9p n ASP 21 N 0.00 0.22 0.00 -1.43 8.00 -1.26 -4.84 116.55 117.24 1r9p n ASP 21 Ca 0.00 -1.50 0.00 0.00 0.71 0.00 0.00 54.79 54.00 1r9p n ASP 21 Cb 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 1r9p n ASP 21 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1r9p n LYS 22 N -0.62 0.00 -2.25 -1.24 4.81 -1.26 -4.71 118.16 112.88 1r9p n LYS 22 Ca 0.13 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.43 1r9p n LYS 22 Cb 0.09 -1.99 0.04 0.00 0.02 0.00 0.00 35.03 33.19 1r9p n LYS 22 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1r9p n LYS 23 N -1.90 2.85 -2.20 1.64 5.02 -1.26 -4.83 118.16 117.47 1r9p n LYS 23 Ca 0.00 -3.88 -0.28 0.00 -2.02 0.00 0.00 58.31 52.13 1r9p n LYS 23 Cb 0.00 -1.99 0.03 0.00 -0.02 0.00 0.00 35.03 33.05 1r9p n LYS 23 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1r9p s ASP 24 N -3.64 5.64 0.00 4.39 -1.08 -1.26 -4.93 116.67 115.79 1r9p s ASP 24 Ca 0.42 0.93 0.19 0.00 -0.52 0.00 0.00 52.55 53.56 1r9p s ASP 24 Cb 0.38 -1.88 0.97 0.00 -1.46 0.00 0.00 42.92 40.93 1r9p s ASP 24 CO 0.01 -1.11 1.55 -0.24 0.52 0.00 0.00 175.17 175.90 1r9p n SER 25 N -2.72 0.00 -0.21 -0.34 2.88 -1.26 -2.39 113.62 109.58 1r9p n SER 25 Ca 0.05 -0.10 0.08 0.00 -1.33 0.00 0.00 58.87 57.56 1r9p n SER 25 Cb 0.57 -0.23 0.12 0.00 -0.75 0.00 0.00 64.21 63.92 1r9p n SER 25 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1r9p n ASN 26 N -1.23 1.85 -3.69 -3.46 3.02 -1.26 -4.90 115.26 105.58 1r9p n ASN 26 Ca 0.10 -2.92 -0.30 0.00 -0.03 0.00 0.00 54.58 51.43 1r9p n ASN 26 Cb 0.13 -0.39 -0.13 0.00 -0.61 0.00 0.00 39.78 38.77 1r9p n ASN 26 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1r9p s VAL 27 N -2.32 1.17 0.27 2.41 1.01 -1.01 -1.46 120.40 120.48 1r9p s VAL 27 Ca 0.26 -2.22 -0.20 0.00 0.00 0.00 0.00 61.98 59.83 1r9p s VAL 27 Cb 0.24 -1.84 -0.09 0.00 0.00 0.00 0.00 36.38 34.69 1r9p s VAL 27 CO 0.01 -0.86 0.78 -0.83 0.00 0.00 0.00 175.10 174.21 1r9p s GLY 28 N 0.70 2.58 0.04 4.51 0.00 -1.07 -4.39 107.32 109.69 1r9p s GLY 28 Ca 0.16 0.22 0.03 0.00 0.00 0.00 0.00 44.72 45.13 1r9p s GLY 28 CO -0.05 0.56 -0.08 -1.59 0.00 0.00 0.00 173.10 171.94 1r9p s THR 29 N -1.67 0.61 -0.02 0.90 2.01 -1.26 -1.65 115.64 114.57 1r9p s THR 29 Ca 0.48 -1.00 -0.02 0.00 0.31 0.00 0.00 61.69 61.46 1r9p s THR 29 Cb -0.15 -0.65 0.00 0.00 0.01 0.00 0.00 72.50 71.72 1r9p s THR 29 CO 0.20 -0.28 0.05 -0.83 -0.69 0.00 0.00 174.62 173.07 1r9p s GLY 30 N -1.40 -0.03 -0.16 4.40 0.00 0.14 -4.24 107.32 106.03 1r9p s GLY 30 Ca -0.07 0.12 -0.02 0.00 0.00 0.00 0.00 44.72 44.75 1r9p s GLY 30 CO 0.01 0.10 0.01 -0.29 0.00 0.00 0.00 173.10 172.93 1r9p s MET 31 N -0.04 0.77 0.09 2.90 1.75 -1.26 -1.02 119.30 122.50 1r9p s MET 31 Ca -0.01 -0.32 0.07 0.00 -1.25 0.00 0.00 55.69 54.19 1r9p s MET 31 Cb -0.01 -1.83 -0.03 0.00 2.84 0.00 0.00 34.83 35.79 1r9p s MET 31 CO 0.00 -0.53 -0.19 0.14 -0.65 0.00 0.00 175.02 173.79 1r9p s VAL 32 N 1.85 1.56 0.38 10.11 -7.23 -0.62 -5.01 120.40 121.44 1r9p s VAL 32 Ca 0.01 -1.46 0.03 0.00 -1.81 0.00 0.00 61.98 58.75 1r9p s VAL 32 Cb -0.16 -1.43 -0.01 0.00 0.56 0.00 0.00 36.38 35.35 1r9p s VAL 32 CO -0.07 -0.09 0.11 0.61 -0.31 0.00 0.00 175.10 175.35 1r9p n GLY 33 N 1.18 3.37 3.15 2.32 0.00 -1.26 -1.02 105.19 112.93 1r9p n GLY 33 Ca -0.20 -2.14 -0.12 0.00 0.00 0.00 0.00 46.02 43.56 1r9p n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r9p s ALA 34 N -2.96 -0.71 0.11 4.61 0.00 -0.83 -4.96 121.76 117.01 1r9p s ALA 34 Ca 0.16 0.97 -0.10 0.00 0.00 0.00 0.00 51.96 53.00 1r9p s ALA 34 Cb 0.01 -0.59 -0.15 0.00 0.00 0.00 0.00 23.12 22.39 1r9p s ALA 34 CO 0.11 -0.17 1.27 -1.00 0.00 0.00 0.00 175.76 175.96 1r9p h PRO 35 N 6.35 0.60 0.53 0.00 0.13 -1.94 0.13 132.00 137.80 1r9p h PRO 35 Ca -0.32 -0.61 -0.02 0.00 -0.87 0.00 0.00 66.00 64.19 1r9p h PRO 35 Cb 1.18 0.16 -0.02 0.00 0.13 0.00 0.00 31.00 32.45 1r9p h PRO 35 CO 0.34 1.22 -0.47 0.00 -0.23 0.00 0.00 178.00 178.85 1r9p h ALA 36 N 0.58 -1.16 -0.08 -0.56 0.00 -1.97 -2.13 119.26 113.94 1r9p h ALA 36 Ca -0.09 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1r9p h ALA 36 Cb 1.58 0.68 0.00 0.00 0.00 0.00 0.00 17.79 20.05 1r9p h ALA 36 CO 0.18 -1.17 0.00 0.00 0.00 0.00 0.00 179.25 178.26 1r9p n GLY 38 N 1.10 -0.23 3.48 0.00 0.00 0.42 -4.69 105.19 105.27 1r9p n GLY 38 Ca 0.18 0.14 -0.30 0.00 0.00 0.00 0.00 46.02 46.03 1r9p n GLY 38 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1r9p s ASP 39 N -3.95 3.88 -0.27 1.61 -1.08 -0.99 -4.91 116.67 110.96 1r9p s ASP 39 Ca 0.33 -0.51 -0.05 0.00 -0.52 0.00 0.00 52.55 51.80 1r9p s ASP 39 Cb -0.19 -0.58 0.00 0.00 -1.46 0.00 0.00 42.92 40.70 1r9p s ASP 39 CO 1.01 0.21 0.03 -0.69 0.52 0.00 0.00 175.17 176.24 1r9p s VAL 40 N -1.07 3.68 -0.22 1.11 1.01 -1.25 -1.96 120.40 121.70 1r9p s VAL 40 Ca 0.17 -0.66 -0.07 0.00 0.00 0.00 0.00 61.98 61.42 1r9p s VAL 40 Cb -0.11 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 1r9p s VAL 40 CO 0.09 0.20 0.06 -0.32 0.00 0.00 0.00 175.10 175.12 1r9p s MET 41 N 1.48 3.73 -0.45 2.72 1.75 -0.19 -3.78 119.30 124.55 1r9p s MET 41 Ca 0.03 -0.45 -0.04 0.00 -1.25 0.00 0.00 55.69 53.98 1r9p s MET 41 Cb -0.16 -3.26 0.12 0.00 2.84 0.00 0.00 34.83 34.37 1r9p s MET 41 CO 0.00 -0.04 0.26 -1.14 -0.65 0.00 0.00 175.02 173.45 1r9p s GLN 42 N 1.21 2.16 -0.04 4.11 0.74 -1.05 -1.59 119.66 125.19 1r9p s GLN 42 Ca 0.04 -1.93 -0.15 0.00 0.05 0.00 0.00 55.36 53.37 1r9p s GLN 42 Cb -0.14 -3.65 -0.05 0.00 1.10 0.00 0.00 33.01 30.26 1r9p s GLN 42 CO 0.03 -1.11 0.39 -1.17 -0.55 0.00 0.00 175.29 172.89 1r9p s LEU 43 N 0.97 4.41 -0.08 3.68 2.96 -0.19 -3.09 118.68 127.34 1r9p s LEU 43 Ca 0.09 0.86 0.00 0.00 -0.22 0.00 0.00 54.13 54.87 1r9p s LEU 43 Cb -0.23 -2.56 0.02 0.00 0.50 0.00 0.00 46.19 43.93 1r9p s LEU 43 CO -0.04 0.25 -0.06 -1.10 -1.32 0.00 0.00 176.35 174.08 1r9p s GLN 44 N -0.60 1.23 0.19 1.98 -0.21 -0.69 -0.68 119.66 120.88 1r9p s GLN 44 Ca 0.23 -0.18 0.06 0.00 0.02 0.00 0.00 55.36 55.49 1r9p s GLN 44 Cb -0.16 -1.28 -0.04 0.00 1.00 0.00 0.00 33.01 32.53 1r9p s GLN 44 CO 0.11 -0.19 0.15 0.96 -2.12 0.00 0.00 175.29 174.20 1r9p s ILE 45 N 1.43 4.44 0.08 1.08 -4.36 -0.66 -0.24 121.20 122.98 1r9p s ILE 45 Ca -0.01 -1.18 0.06 0.00 -0.26 0.00 0.00 60.65 59.25 1r9p s ILE 45 Cb -0.13 -3.30 -0.03 0.00 1.25 0.00 0.00 42.46 40.24 1r9p s ILE 45 CO -0.04 -0.17 -0.17 -0.75 0.24 0.00 0.00 174.94 174.05 1r9p s LYS 46 N -3.29 0.95 0.05 0.37 2.20 -0.43 -2.60 119.74 116.99 1r9p s LYS 46 Ca 0.31 -1.02 0.03 0.00 -0.36 0.00 0.00 55.97 54.93 1r9p s LYS 46 Cb -0.09 -1.06 -0.02 0.00 -1.51 0.00 0.00 37.83 35.14 1r9p s LYS 46 CO 0.24 0.24 -0.10 0.08 -0.36 0.00 0.00 175.35 175.45 1r9p s VAL 47 N -1.19 0.71 0.00 4.02 1.01 -0.54 -2.98 120.40 121.42 1r9p s VAL 47 Ca 0.02 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 60.90 1r9p s VAL 47 Cb -0.10 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.55 1r9p s VAL 47 CO 0.03 -0.30 0.00 0.47 0.00 0.00 0.00 175.10 175.30 1r9p n ASP 48 N 1.50 0.00 -0.38 3.32 9.92 -1.02 -4.78 116.55 125.11 1r9p n ASP 48 Ca -0.22 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.04 1r9p n ASP 48 Cb 0.55 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.03 1r9p n ASP 48 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1r9p n ASP 49 N 0.00 0.00 0.00 -2.24 -0.08 -1.26 -4.90 116.55 108.07 1r9p n ASP 49 Ca 0.00 -1.23 0.00 0.00 -1.51 0.00 0.00 54.79 52.05 1r9p n ASP 49 Cb 0.00 -0.05 0.00 0.00 2.34 0.00 0.00 41.12 43.41 1r9p n ASP 49 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 1r9p n ASN 50 N 0.00 2.29 0.00 1.67 0.23 -1.26 -5.02 115.26 113.18 1r9p n ASN 50 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1r9p n ASN 50 Cb 0.55 0.33 0.00 0.00 -2.08 0.00 0.00 39.78 38.57 1r9p n ASN 50 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1r9p n GLY 51 N 1.43 0.33 3.78 4.83 0.00 -1.26 -5.09 105.19 109.21 1r9p n GLY 51 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1r9p n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r9p s ILE 52 N -1.07 5.43 -0.42 -0.61 -1.09 -1.26 -2.98 121.20 119.21 1r9p s ILE 52 Ca 0.00 0.19 -0.29 0.00 -2.23 0.00 0.00 60.65 58.32 1r9p s ILE 52 Cb 0.00 -3.44 0.01 0.00 -1.58 0.00 0.00 42.46 37.46 1r9p s ILE 52 CO 0.00 0.50 1.34 -0.63 -1.23 0.00 0.00 174.94 174.92 1r9p s ILE 53 N -0.12 4.00 -0.07 2.92 1.01 -1.04 -2.43 121.20 125.47 1r9p s ILE 53 Ca 0.10 1.03 -0.07 0.00 0.00 0.00 0.00 60.65 61.71 1r9p s ILE 53 Cb -0.11 -4.29 -0.28 0.00 0.01 0.00 0.00 42.46 37.78 1r9p s ILE 53 CO 0.00 -0.79 0.58 -0.08 0.00 0.00 0.00 174.94 174.65 1r9p h GLU 54 N 10.21 0.31 -4.57 2.79 4.22 -1.86 -0.05 114.58 125.63 1r9p h GLU 54 Ca -0.26 -0.54 -0.24 0.00 0.08 0.00 0.00 59.36 58.40 1r9p h GLU 54 Cb 1.09 0.20 -0.15 0.00 0.50 0.00 0.00 28.75 30.40 1r9p h GLU 54 CO 1.09 1.22 -0.60 0.34 -2.18 0.00 0.00 179.01 178.88 1r9p s ASP 55 N -7.11 0.19 -0.30 1.04 -1.08 -1.26 -4.69 116.67 103.47 1r9p s ASP 55 Ca -0.17 -1.39 -0.11 0.00 -0.52 0.00 0.00 52.55 50.36 1r9p s ASP 55 Cb 0.06 0.39 0.13 0.00 -1.46 0.00 0.00 42.92 42.05 1r9p s ASP 55 CO 0.82 -0.86 0.71 0.00 0.52 0.00 0.00 175.17 176.37 1r9p s ALA 56 N -4.13 -2.15 0.34 3.66 0.00 -1.26 -1.31 121.76 116.90 1r9p s ALA 56 Ca 0.39 2.30 0.02 0.00 0.00 0.00 0.00 51.96 54.67 1r9p s ALA 56 Cb 0.07 -1.80 -0.03 0.00 0.00 0.00 0.00 23.12 21.36 1r9p s ALA 56 CO 0.12 -0.88 0.52 0.15 0.00 0.00 0.00 175.76 175.67 1r9p s LYS 57 N 2.70 3.37 0.25 0.00 1.02 0.67 -4.98 119.74 122.77 1r9p s LYS 57 Ca -0.06 -0.52 -0.11 0.00 0.02 0.00 0.00 55.97 55.30 1r9p s LYS 57 Cb -0.10 -2.71 -0.01 0.00 -0.52 0.00 0.00 37.83 34.49 1r9p s LYS 57 CO -0.19 0.14 0.44 -0.59 -0.92 0.00 0.00 175.35 174.23 1r9p s PHE 58 N -2.26 0.49 -0.31 3.18 -0.12 -1.26 -1.71 117.98 115.98 1r9p s PHE 58 Ca 0.40 -0.83 -0.07 0.00 -0.05 0.00 0.00 56.93 56.38 1r9p s PHE 58 Cb -0.09 0.09 0.19 0.00 -0.63 0.00 0.00 43.02 42.58 1r9p s PHE 58 CO 0.34 -0.97 0.96 0.21 -0.05 0.00 0.00 175.22 175.71 1r9p s LYS 59 N -3.97 0.25 -0.39 1.99 2.20 -1.18 -4.98 119.74 113.66 1r9p s LYS 59 Ca 0.25 0.14 -0.06 0.00 -0.36 0.00 0.00 55.97 55.94 1r9p s LYS 59 Cb 0.00 0.08 0.08 0.00 -1.51 0.00 0.00 37.83 36.49 1r9p s LYS 59 CO 0.10 -0.43 0.19 0.95 -0.36 0.00 0.00 175.35 175.80 1r9p s THR 60 N 2.68 3.70 -0.34 3.43 -4.23 -1.26 -2.55 115.64 117.07 1r9p s THR 60 Ca 0.22 -1.59 0.04 0.00 -1.18 0.00 0.00 61.69 59.18 1r9p s THR 60 Cb -0.02 -3.31 0.10 0.00 1.34 0.00 0.00 72.50 70.60 1r9p s THR 60 CO -0.21 -0.48 0.04 -0.47 -0.54 0.00 0.00 174.62 172.97 1r9p s TYR 61 N 1.30 3.68 0.00 3.99 6.14 -1.25 -4.70 117.35 126.52 1r9p s TYR 61 Ca 0.03 -2.94 0.00 0.00 0.64 0.00 0.00 57.07 54.80 1r9p s TYR 61 Cb -0.22 -2.85 0.00 0.00 0.42 0.00 0.00 41.96 39.31 1r9p s TYR 61 CO -0.00 -0.94 0.00 0.41 0.64 0.00 0.00 175.55 175.65 1r9p n GLY 62 N 4.28 3.26 3.50 8.97 0.00 -1.26 -3.86 105.19 120.08 1r9p n GLY 62 Ca 0.03 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 1r9p n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r9p n GLY 64 N 5.14 4.61 0.00 0.00 0.00 -1.26 -3.34 105.19 110.34 1r9p n GLY 64 Ca -0.01 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.27 1r9p n GLY 64 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1r9p n SER 65 N 3.58 0.00 0.01 1.61 2.88 -1.26 -4.95 113.62 115.49 1r9p n SER 65 Ca 0.65 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 58.29 1r9p n SER 65 Cb 0.28 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.64 1r9p n SER 65 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1r9p n ALA 66 N 0.00 3.47 -1.00 -1.46 0.00 -1.21 -4.60 120.51 115.71 1r9p n ALA 66 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1r9p n ALA 66 Cb 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1r9p n ALA 66 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1r9p n ILE 67 N -2.00 0.00 -0.29 0.00 5.41 -1.25 -0.35 119.36 120.88 1r9p n ILE 67 Ca -0.00 0.97 -0.04 0.00 1.00 0.00 0.00 62.75 64.68 1r9p n ILE 67 Cb 0.47 -1.53 -0.02 0.00 -0.71 0.00 0.00 39.64 37.86 1r9p n ILE 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1r9p n ALA 68 N -1.06 -0.27 -0.18 -1.39 0.00 -1.26 0.72 120.51 117.07 1r9p n ALA 68 Ca 0.00 0.67 -0.11 0.00 0.00 0.00 0.00 53.44 54.00 1r9p n ALA 68 Cb 0.00 -0.22 -0.07 0.00 0.00 0.00 0.00 19.45 19.17 1r9p n ALA 68 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1r9p h SER 69 N 0.00 -1.67 -1.04 0.00 0.87 -1.51 0.67 113.55 110.87 1r9p h SER 69 Ca 0.19 0.25 0.27 0.00 -1.23 0.00 0.00 61.79 61.26 1r9p h SER 69 Cb 0.37 0.72 -0.11 0.00 -0.44 0.00 0.00 62.40 62.94 1r9p h SER 69 CO -0.70 -0.36 0.65 0.28 -0.53 0.00 0.00 176.83 176.17 1r9p h SER 70 N -0.30 0.53 0.19 6.23 0.02 0.33 0.75 113.55 121.30 1r9p h SER 70 Ca 0.13 0.11 -0.13 0.00 -0.84 0.00 0.00 61.79 61.07 1r9p h SER 70 Cb 0.57 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 1r9p h SER 70 CO -0.65 0.07 -0.47 -1.28 -1.14 0.00 0.00 176.83 173.36 1r9p h SER 71 N 0.45 0.36 0.08 3.07 0.87 0.11 -2.61 113.55 115.87 1r9p h SER 71 Ca 0.63 -0.17 -0.00 0.00 -1.23 0.00 0.00 61.79 61.02 1r9p h SER 71 Cb 1.46 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 1r9p h SER 71 CO -0.39 0.78 -0.04 0.25 -0.53 0.00 0.00 176.83 176.90 1r9p h LEU 72 N 0.27 -0.09 -0.96 2.23 5.85 0.28 -1.79 115.31 121.10 1r9p h LEU 72 Ca 0.02 0.00 0.27 0.00 0.84 0.00 0.00 57.88 59.01 1r9p h LEU 72 Cb 0.93 0.02 -0.17 0.00 0.37 0.00 0.00 40.66 41.81 1r9p h LEU 72 CO 0.08 -0.04 0.10 -0.29 -0.34 0.00 0.00 178.44 177.95 1r9p h ILE 73 N -0.15 0.08 -0.44 4.05 2.10 -1.44 2.45 117.51 124.16 1r9p h ILE 73 Ca -0.01 -0.02 0.04 0.00 1.08 0.00 0.00 64.86 65.95 1r9p h ILE 73 Cb 0.08 0.04 -0.02 0.00 -1.09 0.00 0.00 36.82 35.82 1r9p h ILE 73 CO 0.02 0.01 0.30 0.71 -1.08 0.00 0.00 178.15 178.10 1r9p h THR 74 N 0.04 1.02 -0.00 2.19 1.35 -1.44 0.32 112.91 116.40 1r9p h THR 74 Ca 0.60 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 66.30 1r9p h THR 74 Cb 1.27 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1r9p h THR 74 CO -0.85 0.08 -0.08 1.21 -0.25 0.00 0.00 175.52 175.63 1r9p n GLU 75 N -4.48 0.59 -0.06 4.72 2.13 0.81 -3.05 120.64 121.31 1r9p n GLU 75 Ca 0.05 -0.15 -0.03 0.00 0.66 0.00 0.00 57.16 57.69 1r9p n GLU 75 Cb 0.17 -1.50 -0.15 0.00 0.27 0.00 0.00 31.44 30.23 1r9p n GLU 75 CO 0.00 0.00 0.00 0.91 -0.41 0.00 0.00 177.13 177.63 1r9p n TRP 76 N -1.07 0.13 1.18 4.31 7.02 0.10 -4.22 117.44 124.89 1r9p n TRP 76 Ca 0.14 0.04 0.12 0.00 -1.02 0.00 0.00 57.50 56.79 1r9p n TRP 76 Cb 0.26 -0.87 0.25 0.00 -2.42 0.00 0.00 31.31 28.53 1r9p n TRP 76 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00 1r9p n VAL 77 N -2.63 0.00 -2.67 -0.99 0.24 -0.50 -4.58 118.33 107.20 1r9p n VAL 77 Ca -0.22 -0.25 -0.43 0.00 -2.04 0.00 0.00 64.34 61.41 1r9p n VAL 77 Cb 0.95 0.86 -0.03 0.00 -1.47 0.00 0.00 33.84 34.15 1r9p n VAL 77 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1r9p s LYS 78 N -2.31 3.54 0.00 7.34 2.20 -1.17 -3.27 119.74 126.06 1r9p s LYS 78 Ca 0.26 0.23 0.00 0.00 -0.36 0.00 0.00 55.97 56.10 1r9p s LYS 78 Cb 0.19 -3.98 0.00 0.00 -1.51 0.00 0.00 37.83 32.53 1r9p s LYS 78 CO 0.46 -1.50 0.00 0.41 -0.36 0.00 0.00 175.35 174.36 1r9p n GLY 79 N 5.00 2.86 3.96 5.54 0.00 -0.03 -5.03 105.19 117.48 1r9p n GLY 79 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1r9p n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r9p s LYS 80 N -0.52 0.91 0.56 1.61 -0.14 -1.20 -4.76 119.74 116.20 1r9p s LYS 80 Ca 0.00 -0.73 0.03 0.00 -1.36 0.00 0.00 55.97 53.91 1r9p s LYS 80 Cb 0.00 -2.02 0.05 0.00 -1.68 0.00 0.00 37.83 34.18 1r9p s LYS 80 CO 0.00 -2.13 0.78 -1.54 -0.76 0.00 0.00 175.35 171.69 1r9p s SER 81 N -4.87 5.17 0.30 2.83 1.04 -1.26 -2.48 113.70 114.42 1r9p s SER 81 Ca 0.72 -0.23 0.13 0.00 0.48 0.00 0.00 55.95 57.05 1r9p s SER 81 Cb -0.04 -0.56 0.41 0.00 0.10 0.00 0.00 66.02 65.93 1r9p s SER 81 CO 0.50 -1.22 1.62 -0.07 0.98 0.00 0.00 173.24 175.05 1r9p h LEU 82 N 0.08 0.00 -2.40 2.42 3.38 -1.93 -2.76 115.31 114.11 1r9p h LEU 82 Ca -0.39 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 1r9p h LEU 82 Cb 1.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 1r9p h LEU 82 CO 0.48 0.56 -0.03 -0.08 0.09 0.00 0.00 178.44 179.45 1r9p h GLU 83 N 0.00 0.00 0.00 1.13 4.81 -1.92 0.61 114.58 119.20 1r9p h GLU 83 Ca -0.01 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 1r9p h GLU 83 Cb 1.09 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 1r9p h GLU 83 CO 0.07 0.03 -1.05 0.93 -0.73 0.00 0.00 179.01 178.26 1r9p h GLU 84 N 0.00 0.00 -0.81 1.92 4.39 -1.89 -3.37 114.58 114.82 1r9p h GLU 84 Ca -0.00 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.80 1r9p h GLU 84 Cb 0.09 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.69 1r9p h GLU 84 CO 0.00 0.73 0.53 0.00 -1.16 0.00 0.00 179.01 179.12 1r9p h ALA 85 N -0.63 1.75 -0.17 3.43 0.00 -1.34 -1.78 119.26 120.52 1r9p h ALA 85 Ca -0.26 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.39 1r9p h ALA 85 Cb 1.09 -0.17 -0.09 0.00 0.00 0.00 0.00 17.79 18.61 1r9p h ALA 85 CO -0.15 0.08 -0.10 0.41 0.00 0.00 0.00 179.25 179.48 1r9p n GLY 86 N -1.44 3.37 0.00 0.00 0.00 0.19 -3.64 105.19 103.67 1r9p n GLY 86 Ca 0.14 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1r9p n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r9p n ALA 87 N 1.85 0.00 -0.89 4.61 0.00 -0.72 -4.95 120.51 120.41 1r9p n ALA 87 Ca 0.39 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.51 1r9p n ALA 87 Cb 0.76 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.24 1r9p n ALA 87 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1r9p n ILE 88 N -0.96 0.00 -4.41 0.00 -5.35 -0.90 -4.98 119.36 102.75 1r9p n ILE 88 Ca 0.00 -0.38 -0.20 0.00 -0.27 0.00 0.00 62.75 61.90 1r9p n ILE 88 Cb 0.00 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 37.80 1r9p n ILE 88 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1r9p s LYS 89 N -1.77 1.61 0.16 6.28 1.02 -1.26 -4.98 119.74 120.80 1r9p s LYS 89 Ca 0.35 -1.90 0.25 0.00 0.02 0.00 0.00 55.97 54.69 1r9p s LYS 89 Cb -0.12 -0.64 0.50 0.00 -0.52 0.00 0.00 37.83 37.04 1r9p s LYS 89 CO 0.71 -0.26 1.48 -2.95 -0.92 0.00 0.00 175.35 173.42 1r9p h ASN 90 N 2.16 0.00 -0.97 2.83 -1.07 -1.92 -3.32 115.58 113.29 1r9p h ASN 90 Ca -0.39 -0.13 0.03 0.00 0.07 0.00 0.00 56.30 55.88 1r9p h ASN 90 Cb 1.25 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 37.44 1r9p h ASN 90 CO 0.65 0.06 0.64 0.77 0.07 0.00 0.00 177.43 179.63 1r9p h SER 91 N 0.00 1.08 0.13 6.14 4.64 -1.95 0.10 113.55 123.68 1r9p h SER 91 Ca 0.00 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1r9p h SER 91 Cb 0.76 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1r9p h SER 91 CO 0.00 0.75 -0.06 1.56 -0.87 0.00 0.00 176.83 178.21 1r9p h GLN 92 N 1.26 -0.16 -0.90 4.77 4.20 -2.00 -1.85 115.11 120.42 1r9p h GLN 92 Ca 0.38 0.01 0.11 0.00 0.06 0.00 0.00 58.65 59.21 1r9p h GLN 92 Cb -0.04 0.04 -0.08 0.00 0.30 0.00 0.00 27.48 27.69 1r9p h GLN 92 CO -0.11 0.30 0.54 0.82 -0.67 0.00 0.00 178.83 179.71 1r9p h ILE 93 N -0.74 0.90 0.00 2.54 2.04 -1.65 0.16 117.51 120.76 1r9p h ILE 93 Ca -0.02 -0.30 -0.08 0.00 1.00 0.00 0.00 64.86 65.47 1r9p h ILE 93 Cb 0.54 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 1r9p h ILE 93 CO 0.03 0.16 -0.37 0.00 0.00 0.00 0.00 178.15 177.96 1r9p h ALA 94 N 1.50 1.34 -0.11 1.87 0.00 -0.80 -0.99 119.26 122.07 1r9p h ALA 94 Ca 0.45 -0.34 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 1r9p h ALA 94 Cb 0.44 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1r9p h ALA 94 CO -0.26 0.47 -0.65 0.93 0.00 0.00 0.00 179.25 179.73 1r9p h GLU 95 N 0.00 0.63 0.00 0.00 4.39 0.11 3.86 114.58 123.58 1r9p h GLU 95 Ca -0.00 -0.53 -0.06 0.00 0.34 0.00 0.00 59.36 59.10 1r9p h GLU 95 Cb 0.68 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 1r9p h GLU 95 CO 0.05 1.15 -0.29 1.49 -1.16 0.00 0.00 179.01 180.25 1r9p h GLU 96 N 0.28 0.00 0.00 2.33 4.22 -0.87 -3.32 114.58 117.22 1r9p h GLU 96 Ca -0.05 0.00 -0.23 0.00 0.08 0.00 0.00 59.36 59.16 1r9p h GLU 96 Cb 1.29 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.50 1r9p h GLU 96 CO 0.13 0.29 -1.86 1.28 -2.18 0.00 0.00 179.01 176.67 1r9p n LEU 97 N -3.37 1.93 -1.18 1.64 4.32 -0.39 -4.98 117.00 114.97 1r9p n LEU 97 Ca 0.01 -0.05 -0.15 0.00 -0.02 0.00 0.00 56.01 55.79 1r9p n LEU 97 Cb 0.50 -0.24 -0.07 0.00 -1.62 0.00 0.00 43.42 41.99 1r9p n LEU 97 CO 0.35 0.60 -0.15 -0.62 -1.22 0.00 0.00 177.39 176.35 1r9p n GLU 98 N -2.77 -1.37 -1.46 3.23 1.02 1.28 -4.90 120.64 115.66 1r9p n GLU 98 Ca -0.25 1.03 -0.38 0.00 -0.02 0.00 0.00 57.16 57.54 1r9p n GLU 98 Cb 0.83 -5.32 0.03 0.00 -0.02 0.00 0.00 31.44 26.96 1r9p n GLU 98 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1r9p n LEU 99 N -1.75 0.50 -4.17 -4.62 -0.00 -1.26 -4.83 117.00 100.88 1r9p n LEU 99 Ca -0.15 0.74 -0.38 0.00 -0.00 0.00 0.00 56.01 56.23 1r9p n LEU 99 Cb 0.58 -1.15 0.03 0.00 -0.00 0.00 0.00 43.42 42.88 1r9p n LEU 99 CO 0.23 -3.13 -0.85 -2.65 -0.00 0.00 0.00 177.39 170.99 1r9p n PRO 100 N 0.07 0.02 0.00 1.47 -0.02 -1.26 -4.96 135.00 130.32 1r9p n PRO 100 Ca 0.11 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1r9p n PRO 100 Cb 0.47 -1.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.88 1r9p n PRO 100 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1r9p n PRO 101 N 1.69 0.00 -4.26 0.52 -0.04 -1.26 -4.63 135.00 127.01 1r9p n PRO 101 Ca 0.04 0.26 -0.33 0.00 -0.04 0.00 0.00 63.50 63.43 1r9p n PRO 101 Cb 0.51 -0.95 -0.07 0.00 -0.04 0.00 0.00 33.50 32.96 1r9p n PRO 101 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1r9p n VAL 102 N -1.27 -1.31 -1.00 0.52 0.31 -1.26 0.37 118.33 114.69 1r9p n VAL 102 Ca 0.00 -0.33 -0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1r9p n VAL 102 Cb 0.00 -1.41 -0.00 0.00 -0.91 0.00 0.00 33.84 31.52 1r9p n VAL 102 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1r9p n LYS 103 N -4.41 -0.36 -1.74 5.55 4.81 -1.26 -3.75 118.16 117.00 1r9p n LYS 103 Ca -0.18 0.11 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 1r9p n LYS 103 Cb 0.62 -3.40 0.00 0.00 0.02 0.00 0.00 35.03 32.27 1r9p n LYS 103 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1r9p n VAL 104 N -2.82 0.00 -0.07 3.15 0.31 1.19 -4.65 118.33 115.44 1r9p n VAL 104 Ca -0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.29 1r9p n VAL 104 Cb 0.09 0.00 0.19 0.00 -0.91 0.00 0.00 33.84 33.21 1r9p n VAL 104 CO 0.00 0.00 0.00 1.12 -1.32 0.00 0.00 176.83 176.63 1r9p h HIS 105 N 0.00 0.74 0.25 3.52 -0.00 -1.72 -2.02 115.15 115.92 1r9p h HIS 105 Ca 0.00 -0.11 -0.01 0.00 -0.00 0.00 0.00 60.37 60.26 1r9p h HIS 105 Cb 0.58 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.78 1r9p h HIS 105 CO 0.52 0.72 -0.22 0.00 -0.00 0.00 0.00 177.93 178.95 1r9p h SER 107 N -0.46 -1.13 -1.23 0.00 0.87 -1.94 0.53 113.55 110.19 1r9p h SER 107 Ca -0.03 0.12 0.35 0.00 -1.23 0.00 0.00 61.79 61.00 1r9p h SER 107 Cb 0.39 0.41 -0.07 0.00 -0.44 0.00 0.00 62.40 62.69 1r9p h SER 107 CO -0.01 -0.49 0.85 0.40 -0.53 0.00 0.00 176.83 177.05 1r9p h ILE 108 N -0.67 0.37 -0.28 2.23 1.08 -1.29 0.92 117.51 119.86 1r9p h ILE 108 Ca 0.01 -0.04 -0.15 0.00 -0.39 0.00 0.00 64.86 64.29 1r9p h ILE 108 Cb 0.67 0.25 -0.01 0.00 -3.07 0.00 0.00 36.82 34.67 1r9p h ILE 108 CO -0.18 0.02 -0.43 0.25 -0.69 0.00 0.00 178.15 177.11 1r9p h LEU 109 N 0.11 0.76 -0.52 1.44 5.85 0.16 -1.16 115.31 121.95 1r9p h LEU 109 Ca 0.63 -0.36 0.03 0.00 0.84 0.00 0.00 57.88 59.02 1r9p h LEU 109 Cb 2.23 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 43.01 1r9p h LEU 109 CO -0.13 1.09 0.30 0.00 -0.34 0.00 0.00 178.44 179.36 1r9p h ALA 110 N 0.94 0.66 0.23 1.25 0.00 0.15 0.15 119.26 122.66 1r9p h ALA 110 Ca 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1r9p h ALA 110 Cb 0.98 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1r9p h ALA 110 CO 0.09 -0.01 -0.11 1.49 0.00 0.00 0.00 179.25 180.71 1r9p h GLU 111 N 0.59 -0.30 -0.22 0.00 4.81 -1.35 -2.60 114.58 115.51 1r9p h GLU 111 Ca 0.21 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.53 1r9p h GLU 111 Cb 0.04 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1r9p h GLU 111 CO -0.11 0.05 0.34 -0.44 -0.73 0.00 0.00 179.01 178.13 1r9p h ASP 112 N -0.72 0.00 0.03 1.04 5.19 -1.02 -0.89 116.42 120.05 1r9p h ASP 112 Ca -0.03 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1r9p h ASP 112 Cb 0.49 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.00 1r9p h ASP 112 CO 0.05 0.00 -0.01 0.00 -3.12 0.00 0.00 179.24 176.16 1r9p h ALA 113 N 1.52 -0.04 -1.00 3.45 0.00 -0.35 0.68 119.26 123.53 1r9p h ALA 113 Ca 0.11 -0.31 0.18 0.00 0.00 0.00 0.00 54.91 54.89 1r9p h ALA 113 Cb 0.79 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.49 1r9p h ALA 113 CO -0.00 -0.19 0.62 0.97 0.00 0.00 0.00 179.25 180.64 1r9p h ILE 114 N -0.69 0.73 -0.00 0.00 6.09 -0.81 0.13 117.51 122.96 1r9p h ILE 114 Ca -0.00 -0.26 -0.01 0.00 -1.37 0.00 0.00 64.86 63.22 1r9p h ILE 114 Cb 0.63 -0.11 0.00 0.00 0.47 0.00 0.00 36.82 37.81 1r9p h ILE 114 CO 0.01 0.14 -0.03 0.11 -3.07 0.00 0.00 178.15 175.31 1r9p h LYS 115 N 0.77 0.02 -0.74 2.19 1.57 -1.45 -0.66 116.57 118.28 1r9p h LYS 115 Ca 0.57 -0.02 0.15 0.00 -1.87 0.00 0.00 60.65 59.47 1r9p h LYS 115 Cb 0.88 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.09 1r9p h LYS 115 CO -0.36 0.72 0.25 0.00 -0.57 0.00 0.00 179.45 179.49 1r9p h ALA 116 N 0.30 1.01 0.52 3.86 0.00 0.21 0.12 119.26 125.29 1r9p h ALA 116 Ca -0.00 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1r9p h ALA 116 Cb 0.73 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.67 1r9p h ALA 116 CO 0.01 -0.27 -0.25 0.00 0.00 0.00 0.00 179.25 178.73 1r9p h ALA 117 N 1.57 -0.70 -1.13 0.00 0.00 -0.80 -2.75 119.26 115.45 1r9p h ALA 117 Ca 0.41 -0.16 0.42 0.00 0.00 0.00 0.00 54.91 55.58 1r9p h ALA 117 Cb 0.66 0.27 -0.16 0.00 0.00 0.00 0.00 17.79 18.56 1r9p h ALA 117 CO -0.45 -0.66 0.66 0.82 0.00 0.00 0.00 179.25 179.63 1r9p h ILE 118 N -1.18 0.07 0.73 0.00 2.04 -0.65 0.42 117.51 118.94 1r9p h ILE 118 Ca -0.07 -0.02 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 1r9p h ILE 118 Cb 0.55 -0.00 0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1r9p h ILE 118 CO 0.12 0.01 -0.35 0.00 0.00 0.00 0.00 178.15 177.93 1r9p h ALA 119 N 1.84 -0.98 -0.95 1.87 0.00 -0.64 -2.05 119.26 118.34 1r9p h ALA 119 Ca 0.84 -0.22 0.25 0.00 0.00 0.00 0.00 54.91 55.77 1r9p h ALA 119 Cb 2.33 0.38 -0.06 0.00 0.00 0.00 0.00 17.79 20.44 1r9p h ALA 119 CO -0.63 -1.00 0.65 0.22 0.00 0.00 0.00 179.25 178.49 1r9p h ASP 120 N -1.07 0.21 0.91 0.00 1.82 0.08 0.16 116.42 118.52 1r9p h ASP 120 Ca -0.10 0.03 -0.04 0.00 -0.39 0.00 0.00 57.03 56.52 1r9p h ASP 120 Cb 0.77 -0.01 0.01 0.00 0.68 0.00 0.00 39.33 40.78 1r9p h ASP 120 CO 0.16 0.07 -0.44 0.22 -1.61 0.00 0.00 179.24 177.64 1r9p h TYR 121 N 0.20 -1.13 -0.55 0.28 5.03 -0.51 -0.71 116.97 119.58 1r9p h TYR 121 Ca 0.48 -0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.75 1r9p h TYR 121 Cb 1.56 0.37 -0.03 0.00 1.55 0.00 0.00 36.73 40.19 1r9p h TYR 121 CO -0.00 -0.70 0.30 0.87 -1.32 0.00 0.00 178.16 177.31 1r9p h LYS 122 N -1.31 0.76 -0.20 1.82 1.57 -0.71 -2.85 116.57 115.65 1r9p h LYS 122 Ca -0.12 -0.09 0.06 0.00 -1.87 0.00 0.00 60.65 58.62 1r9p h LYS 122 Cb 0.93 -0.15 -0.07 0.00 0.08 0.00 0.00 32.23 33.03 1r9p h LYS 122 CO 0.20 0.59 -0.27 0.00 -0.57 0.00 0.00 179.45 179.40 1r9p h ALA 123 N 1.13 -0.22 -1.03 3.86 0.00 -0.67 0.35 119.26 122.69 1r9p h ALA 123 Ca 0.19 0.06 0.30 0.00 0.00 0.00 0.00 54.91 55.46 1r9p h ALA 123 Cb 0.04 0.54 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1r9p h ALA 123 CO -0.03 -0.72 0.74 0.87 0.00 0.00 0.00 179.25 180.11 1r9p h LYS 124 N -0.30 0.00 0.00 0.00 1.79 -0.89 -3.34 116.57 113.82 1r9p h LYS 124 Ca 0.12 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 1r9p h LYS 124 Cb 0.49 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1r9p h LYS 124 CO -0.37 0.00 0.00 0.94 -1.08 0.00 0.00 179.45 178.94 1r9p n GLN 125 N -4.22 0.00 0.00 3.15 7.27 0.11 -4.85 117.38 118.84 1r9p n GLN 125 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.29 1r9p n GLN 125 Cb 1.09 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.74 1r9p n GLN 125 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1r9p n GLY 126 N 4.27 2.52 0.52 1.69 0.00 -0.71 -4.76 105.19 108.72 1r9p n GLY 126 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1r9p n GLY 126 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1r9p n LEU 127 N 0.00 0.35 0.00 0.99 7.99 -1.26 -3.89 117.00 121.18 1r9p n LEU 127 Ca 0.00 -0.18 0.00 0.00 -0.01 0.00 0.00 56.01 55.82 1r9p n LEU 127 Cb 0.00 -0.16 0.00 0.00 -0.11 0.00 0.00 43.42 43.15 1r9p n LEU 127 CO 0.00 0.08 0.07 -0.62 -1.51 0.00 0.00 177.39 175.42 1r9p n GLU 128 N 0.36 0.00 -4.41 3.23 1.02 -1.26 -4.90 120.64 114.68 1r9p n GLU 128 Ca 0.00 0.08 -0.31 0.00 -0.02 0.00 0.00 57.16 56.91 1r9p n GLU 128 Cb 0.08 -0.71 -0.10 0.00 -0.02 0.00 0.00 31.44 30.69 1r9p n GLU 128 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1r9p s HIS 129 N -0.46 2.85 0.59 -0.32 3.76 -1.25 -5.13 115.29 115.33 1r9p s HIS 129 Ca 0.00 -0.07 -0.01 0.00 -0.15 0.00 0.00 55.06 54.83 1r9p s HIS 129 Cb 0.00 -1.56 0.12 0.00 1.11 0.00 0.00 32.58 32.24 1r9p s HIS 129 CO 0.00 0.38 0.81 -2.39 -0.85 0.00 0.00 174.74 172.69 1r9p n HIS 130 N 1.34 -3.11 -2.91 1.40 1.44 -1.26 -4.52 115.22 107.60 1r9p n HIS 130 Ca -0.15 -1.35 -0.15 0.00 -2.01 0.00 0.00 57.72 54.06 1r9p n HIS 130 Cb 0.52 -0.59 0.03 0.00 0.12 0.00 0.00 29.99 30.08 1r9p n HIS 130 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1r9p n HIS 131 N -2.61 -1.51 1.37 -1.40 -0.00 -1.26 -4.88 115.22 104.92 1r9p n HIS 131 Ca 0.13 0.45 0.14 0.00 -0.00 0.00 0.00 57.72 58.44 1r9p n HIS 131 Cb 0.46 -3.47 0.57 0.00 -0.00 0.00 0.00 29.99 27.56 1r9p n HIS 131 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1r9p n HIS 132 N -4.13 0.00 -1.35 1.57 -0.00 -1.26 -4.90 115.22 105.15 1r9p n HIS 132 Ca -0.05 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.30 1r9p n HIS 132 Cb 0.57 -0.18 0.06 0.00 -0.00 0.00 0.00 29.99 30.44 1r9p n HIS 132 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1r9p n HIS 133 N -0.94 -0.59 -0.74 1.57 -0.00 -1.26 -5.26 115.22 108.01 1r9p n HIS 133 Ca 0.14 0.38 0.00 0.00 0.46 0.00 0.00 57.72 58.70 1r9p n HIS 133 Cb 0.29 -1.95 0.00 0.00 -0.12 0.00 0.00 29.99 28.21 1r9p n HIS 133 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38