#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 -0.98 -3.48 3.04 0.00 -1.26 -4.86 120.51 112.96 1r9p n ALA 2 Ca 0.00 0.01 -0.15 0.00 0.00 0.00 0.00 53.44 53.31 1r9p n ALA 2 Cb 0.00 -1.38 -0.08 0.00 0.00 0.00 0.00 19.45 17.99 1r9p n ALA 2 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1r9p s TYR 3 N -2.46 -0.61 1.03 0.00 5.04 -1.26 -5.15 117.35 113.94 1r9p s TYR 3 Ca 0.17 1.35 -0.13 0.00 -2.44 0.00 0.00 57.07 56.02 1r9p s TYR 3 Cb -0.10 0.26 0.14 0.00 0.35 0.00 0.00 41.96 42.62 1r9p s TYR 3 CO 0.21 -0.40 0.69 -1.13 -1.34 0.00 0.00 175.55 173.58 1r9p n SER 4 N 2.13 -1.36 -4.34 4.32 3.41 -1.26 -5.03 113.62 111.48 1r9p n SER 4 Ca -0.16 0.15 -0.18 0.00 -0.26 0.00 0.00 58.87 58.42 1r9p n SER 4 Cb 0.56 -1.25 -0.10 0.00 -0.26 0.00 0.00 64.21 63.16 1r9p n SER 4 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1r9p s GLU 5 N -4.07 1.33 -0.30 4.33 0.41 -1.26 -5.00 118.70 114.14 1r9p s GLU 5 Ca 0.62 -1.60 -0.22 0.00 -0.41 0.00 0.00 54.97 53.36 1r9p s GLU 5 Cb -0.21 -1.07 0.19 0.00 -1.78 0.00 0.00 34.13 31.26 1r9p s GLU 5 CO 0.64 0.16 1.33 0.21 -0.49 0.00 0.00 175.26 177.11 1r9p s LYS 6 N -3.67 0.12 0.00 1.61 2.20 -1.26 -5.05 119.74 113.69 1r9p s LYS 6 Ca 0.23 0.16 0.00 0.00 -0.36 0.00 0.00 55.97 55.99 1r9p s LYS 6 Cb 0.00 0.05 0.00 0.00 -1.51 0.00 0.00 37.83 36.37 1r9p s LYS 6 CO 0.07 -0.02 0.00 1.55 -0.36 0.00 0.00 175.35 176.59 1r9p n VAL 7 N 2.14 0.00 -1.55 4.02 3.14 -1.26 -5.12 118.33 119.70 1r9p n VAL 7 Ca -0.13 0.00 -0.54 0.00 -2.96 0.00 0.00 64.34 60.72 1r9p n VAL 7 Cb 0.57 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.28 1r9p n VAL 7 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 1r9p n ILE 8 N -0.04 0.20 -2.86 1.55 5.41 -1.26 -4.84 119.36 117.51 1r9p n ILE 8 Ca 0.00 -0.05 -0.43 0.00 1.00 0.00 0.00 62.75 63.27 1r9p n ILE 8 Cb 0.00 -0.55 -0.04 0.00 -0.71 0.00 0.00 39.64 38.35 1r9p n ILE 8 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 1r9p s ASP 9 N 0.21 6.25 0.32 4.38 1.01 -1.26 -4.83 116.67 122.75 1r9p s ASP 9 Ca 0.84 -1.16 0.24 0.00 0.71 0.00 0.00 52.55 53.18 1r9p s ASP 9 Cb -1.03 -2.42 0.53 0.00 1.01 0.00 0.00 42.92 41.00 1r9p s ASP 9 CO 0.51 -1.39 1.65 -0.74 0.21 0.00 0.00 175.17 175.41 1r9p h HIS 10 N 9.46 0.00 0.00 4.23 2.76 -2.06 -3.44 115.15 126.10 1r9p h HIS 10 Ca -0.21 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.96 1r9p h HIS 10 Cb 1.06 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.02 1r9p h HIS 10 CO 1.00 0.00 0.00 0.66 -1.30 0.00 0.00 177.93 178.29 1r9p n TYR 11 N -2.69 0.00 -3.49 5.26 4.01 -1.26 -4.96 117.16 114.02 1r9p n TYR 11 Ca 0.04 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.42 1r9p n TYR 11 Cb 0.49 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.46 1r9p n TYR 11 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1r9p s GLU 12 N 0.00 3.88 -0.47 -0.72 2.02 -1.26 -5.03 118.70 117.11 1r9p s GLU 12 Ca 0.00 0.35 0.07 0.00 0.02 0.00 0.00 54.97 55.41 1r9p s GLU 12 Cb 0.00 -3.07 0.24 0.00 0.10 0.00 0.00 34.13 31.40 1r9p s GLU 12 CO 0.00 0.59 0.57 0.27 0.02 0.00 0.00 175.26 176.71 1r9p n ASN 13 N 1.22 1.23 -4.55 -0.19 2.04 -1.26 -5.04 115.26 108.70 1r9p n ASN 13 Ca -0.10 -2.90 -0.38 0.00 -0.44 0.00 0.00 54.58 50.77 1r9p n ASN 13 Cb 0.52 -0.65 -0.03 0.00 -2.53 0.00 0.00 39.78 37.09 1r9p n ASN 13 CO 0.00 0.00 0.00 -2.16 -0.44 0.00 0.00 177.26 174.66 1r9p s PRO 14 N -1.46 2.83 0.26 -0.53 0.04 -1.26 -4.95 135.00 129.93 1r9p s PRO 14 Ca 0.36 0.13 -0.19 0.00 0.04 0.00 0.00 61.00 61.35 1r9p s PRO 14 Cb 0.15 -4.51 -0.13 0.00 0.04 0.00 0.00 34.50 30.05 1r9p s PRO 14 CO -0.09 -2.65 0.18 0.54 0.04 0.00 0.00 177.00 175.02 1r9p n ARG 15 N 9.17 0.00 -3.82 4.56 1.74 -1.26 -4.94 116.66 122.11 1r9p n ARG 15 Ca 0.20 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 57.03 1r9p n ARG 15 Cb 0.50 -0.79 -0.17 0.00 -1.02 0.00 0.00 32.46 30.98 1r9p n ARG 15 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1r9p s ASN 16 N -0.79 1.85 0.11 0.55 0.01 -1.26 -5.04 114.94 110.37 1r9p s ASN 16 Ca 0.48 -0.19 -0.23 0.00 -0.71 0.00 0.00 52.86 52.21 1r9p s ASN 16 Cb -0.58 -0.59 -0.06 0.00 0.41 0.00 0.00 41.25 40.43 1r9p s ASN 16 CO 0.48 -0.17 1.40 0.58 -1.51 0.00 0.00 177.10 177.87 1r9p h VAL 17 N 6.28 0.00 0.00 1.60 2.07 -2.06 -3.45 116.25 120.69 1r9p h VAL 17 Ca -0.23 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1r9p h VAL 17 Cb 1.13 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1r9p h VAL 17 CO 0.31 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.51 1r9p n GLY 18 N -1.22 0.75 3.16 2.17 0.00 -1.26 -5.03 105.19 103.76 1r9p n GLY 18 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1r9p n GLY 18 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r9p s SER 19 N -2.54 2.32 0.10 1.61 1.04 -1.26 -4.97 113.70 109.99 1r9p s SER 19 Ca 0.00 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1r9p s SER 19 Cb 0.00 -0.63 0.00 0.00 0.10 0.00 0.00 66.02 65.49 1r9p s SER 19 CO 0.00 0.17 0.00 0.18 0.98 0.00 0.00 173.24 174.57 1r9p n LEU 20 N 3.09 0.63 0.00 2.42 4.77 -1.26 -4.89 117.00 121.76 1r9p n LEU 20 Ca -0.18 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1r9p n LEU 20 Cb 0.53 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1r9p n LEU 20 CO 0.25 -0.58 0.35 0.47 -1.33 0.00 0.00 177.39 176.55 1r9p n ASP 21 N -3.34 1.06 -0.43 -1.43 8.00 -1.26 -4.96 116.55 114.19 1r9p n ASP 21 Ca 0.00 -1.48 -0.03 0.00 0.71 0.00 0.00 54.79 53.98 1r9p n ASP 21 Cb 0.11 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.20 1r9p n ASP 21 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1r9p n LYS 22 N -0.24 -1.74 -0.16 -1.24 5.02 -1.26 -4.39 118.16 114.15 1r9p n LYS 22 Ca 0.00 0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 1r9p n LYS 22 Cb 0.32 -4.04 0.00 0.00 -0.02 0.00 0.00 35.03 31.28 1r9p n LYS 22 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1r9p n LYS 23 N -0.25 0.00 -0.58 1.97 4.81 -1.26 -4.47 118.16 118.39 1r9p n LYS 23 Ca -0.03 -0.38 -0.28 0.00 -0.87 0.00 0.00 58.31 56.75 1r9p n LYS 23 Cb 0.27 -0.28 0.26 0.00 0.02 0.00 0.00 35.03 35.29 1r9p n LYS 23 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1r9p s ASP 24 N -0.19 0.81 0.06 3.14 2.15 -1.26 -4.87 116.67 116.52 1r9p s ASP 24 Ca 0.00 1.40 0.24 0.00 0.43 0.00 0.00 52.55 54.62 1r9p s ASP 24 Cb 0.00 -2.17 0.96 0.00 -0.30 0.00 0.00 42.92 41.40 1r9p s ASP 24 CO 0.00 -4.29 1.74 -1.54 -0.17 0.00 0.00 175.17 170.91 1r9p n SER 25 N -4.97 0.21 -0.65 -0.34 3.41 -1.26 -2.83 113.62 107.19 1r9p n SER 25 Ca 0.03 0.53 0.05 0.00 -0.26 0.00 0.00 58.87 59.22 1r9p n SER 25 Cb 0.55 -0.58 0.20 0.00 -0.26 0.00 0.00 64.21 64.11 1r9p n SER 25 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1r9p n ASN 26 N -1.71 2.51 -3.43 4.04 5.03 -1.26 -4.91 115.26 115.53 1r9p n ASN 26 Ca 0.05 -3.47 -0.15 0.00 0.87 0.00 0.00 54.58 51.88 1r9p n ASN 26 Cb 0.29 -0.53 -0.11 0.00 -1.02 0.00 0.00 39.78 38.41 1r9p n ASN 26 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1r9p s VAL 27 N -3.06 -0.42 0.14 2.41 1.01 -1.13 -1.29 120.40 118.07 1r9p s VAL 27 Ca 0.39 -0.20 -0.16 0.00 0.00 0.00 0.00 61.98 62.00 1r9p s VAL 27 Cb 0.35 -0.80 -0.07 0.00 0.00 0.00 0.00 36.38 35.86 1r9p s VAL 27 CO 0.01 -0.25 0.58 -0.83 0.00 0.00 0.00 175.10 174.61 1r9p s GLY 28 N 2.40 2.53 -0.08 4.51 0.00 -0.29 -4.01 107.32 112.39 1r9p s GLY 28 Ca 0.09 -0.04 0.05 0.00 0.00 0.00 0.00 44.72 44.82 1r9p s GLY 28 CO -0.19 0.28 -0.24 -1.59 0.00 0.00 0.00 173.10 171.36 1r9p s THR 29 N -1.40 2.03 -0.11 0.90 2.01 -1.26 -1.46 115.64 116.35 1r9p s THR 29 Ca 0.37 -1.03 0.01 0.00 0.31 0.00 0.00 61.69 61.35 1r9p s THR 29 Cb -0.16 -1.74 0.02 0.00 0.01 0.00 0.00 72.50 70.63 1r9p s THR 29 CO 0.19 0.56 -0.11 -0.83 -0.69 0.00 0.00 174.62 173.75 1r9p s GLY 30 N 0.10 0.89 -0.18 4.40 0.00 0.25 -3.80 107.32 108.98 1r9p s GLY 30 Ca -0.11 -0.59 0.01 0.00 0.00 0.00 0.00 44.72 44.02 1r9p s GLY 30 CO 0.06 0.53 -0.10 -0.29 0.00 0.00 0.00 173.10 173.30 1r9p s MET 31 N 1.34 1.99 0.27 2.90 1.75 -1.26 -0.83 119.30 125.46 1r9p s MET 31 Ca -0.01 -0.72 0.05 0.00 -1.25 0.00 0.00 55.69 53.75 1r9p s MET 31 Cb -0.14 -2.28 -0.06 0.00 2.84 0.00 0.00 34.83 35.20 1r9p s MET 31 CO -0.05 -0.39 -0.01 0.14 -0.65 0.00 0.00 175.02 174.06 1r9p s VAL 32 N 1.46 1.30 0.19 10.11 -7.23 -0.54 -5.01 120.40 120.68 1r9p s VAL 32 Ca 0.00 -2.06 -0.15 0.00 -1.81 0.00 0.00 61.98 57.96 1r9p s VAL 32 Cb -0.15 -2.49 0.02 0.00 0.56 0.00 0.00 36.38 34.32 1r9p s VAL 32 CO -0.09 -0.24 0.47 -0.83 -0.31 0.00 0.00 175.10 174.11 1r9p s GLY 33 N -3.40 0.07 0.03 2.32 0.00 -1.26 -0.51 107.32 104.58 1r9p s GLY 33 Ca 0.31 -0.41 -0.02 0.00 0.00 0.00 0.00 44.72 44.59 1r9p s GLY 33 CO 0.11 -0.41 0.01 0.00 0.00 0.00 0.00 173.10 172.82 1r9p s ALA 34 N -3.90 0.12 -0.04 3.20 0.00 -0.71 -4.97 121.76 115.45 1r9p s ALA 34 Ca 0.12 -0.66 -0.03 0.00 0.00 0.00 0.00 51.96 51.39 1r9p s ALA 34 Cb -0.00 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.29 1r9p s ALA 34 CO -0.01 -0.23 0.19 -1.00 0.00 0.00 0.00 175.76 174.71 1r9p h PRO 35 N 4.16 -0.10 -0.97 0.00 0.13 -1.94 0.37 132.00 133.64 1r9p h PRO 35 Ca -0.32 0.01 0.28 0.00 -0.87 0.00 0.00 66.00 65.09 1r9p h PRO 35 Cb 1.19 0.02 -0.18 0.00 0.13 0.00 0.00 31.00 32.17 1r9p h PRO 35 CO 0.47 -0.07 0.10 0.00 -0.23 0.00 0.00 178.00 178.27 1r9p h ALA 36 N -1.50 1.26 -0.01 -0.56 0.00 -2.00 1.74 119.26 118.19 1r9p h ALA 36 Ca -0.01 0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1r9p h ALA 36 Cb 0.08 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1r9p h ALA 36 CO 0.02 -0.59 -0.35 0.00 0.00 0.00 0.00 179.25 178.32 1r9p n GLY 38 N 1.37 -0.29 3.55 0.00 0.00 0.59 -4.67 105.19 105.75 1r9p n GLY 38 Ca 0.11 0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.98 4.12 -0.29 1.61 2.15 -1.03 -4.89 116.67 115.36 1r9p s ASP 39 Ca 0.58 -0.67 0.03 0.00 0.43 0.00 0.00 52.55 52.93 1r9p s ASP 39 Cb -0.34 -0.64 0.08 0.00 -0.30 0.00 0.00 42.92 41.72 1r9p s ASP 39 CO 0.82 0.09 -0.04 0.68 -0.17 0.00 0.00 175.17 176.55 1r9p s VAL 40 N -1.85 2.15 0.14 1.11 -7.23 -1.25 -1.74 120.40 111.72 1r9p s VAL 40 Ca 0.26 -1.90 -0.16 0.00 -1.81 0.00 0.00 61.98 58.37 1r9p s VAL 40 Cb -0.08 -2.40 -0.07 0.00 0.56 0.00 0.00 36.38 34.38 1r9p s VAL 40 CO 0.15 -0.28 0.57 -0.32 -0.31 0.00 0.00 175.10 174.91 1r9p s MET 41 N 1.05 4.05 -0.22 4.82 1.75 0.34 -4.06 119.30 127.03 1r9p s MET 41 Ca -0.00 0.58 -0.01 0.00 -1.25 0.00 0.00 55.69 55.01 1r9p s MET 41 Cb -0.19 -2.98 0.06 0.00 2.84 0.00 0.00 34.83 34.55 1r9p s MET 41 CO -0.07 0.50 -0.02 -1.14 -0.65 0.00 0.00 175.02 173.64 1r9p s GLN 42 N -1.80 1.24 -0.07 4.11 0.74 -0.92 -1.47 119.66 121.48 1r9p s GLN 42 Ca 0.37 -0.76 0.04 0.00 0.05 0.00 0.00 55.36 55.06 1r9p s GLN 42 Cb -0.16 -2.40 -0.00 0.00 1.10 0.00 0.00 33.01 31.55 1r9p s GLN 42 CO 0.19 -0.61 -0.22 -1.17 -0.55 0.00 0.00 175.29 172.93 1r9p s LEU 43 N 1.58 2.00 0.47 3.68 0.20 -0.01 -2.01 118.68 124.59 1r9p s LEU 43 Ca -0.04 -0.48 0.02 0.00 0.69 0.00 0.00 54.13 54.32 1r9p s LEU 43 Cb -0.18 -1.26 -0.02 0.00 -0.43 0.00 0.00 46.19 44.30 1r9p s LEU 43 CO -0.07 0.17 0.05 -1.10 -0.29 0.00 0.00 176.35 175.11 1r9p s GLN 44 N 0.19 2.08 -0.01 1.98 1.11 -0.78 -0.59 119.66 123.64 1r9p s GLN 44 Ca -0.12 -2.30 -0.22 0.00 0.01 0.00 0.00 55.36 52.73 1r9p s GLN 44 Cb -0.16 -1.16 0.05 0.00 -1.01 0.00 0.00 33.01 30.73 1r9p s GLN 44 CO 0.06 -0.40 0.49 0.96 0.01 0.00 0.00 175.29 176.41 1r9p s ILE 45 N -3.01 0.03 0.32 1.08 -4.36 -0.54 -3.51 121.20 111.22 1r9p s ILE 45 Ca 0.14 -0.26 0.09 0.00 -0.26 0.00 0.00 60.65 60.36 1r9p s ILE 45 Cb 0.02 -0.85 -0.05 0.00 1.25 0.00 0.00 42.46 42.83 1r9p s ILE 45 CO 0.08 -0.15 0.03 -0.75 0.24 0.00 0.00 174.94 174.39 1r9p s LYS 46 N -1.59 2.17 -0.23 0.37 2.20 -0.92 -1.13 119.74 120.61 1r9p s LYS 46 Ca -0.10 -1.64 -0.02 0.00 -0.36 0.00 0.00 55.97 53.85 1r9p s LYS 46 Cb -0.02 -2.02 0.07 0.00 -1.51 0.00 0.00 37.83 34.35 1r9p s LYS 46 CO 0.05 0.19 0.04 0.08 -0.36 0.00 0.00 175.35 175.34 1r9p s VAL 47 N -2.46 0.77 0.05 4.02 1.01 -0.41 -3.58 120.40 119.81 1r9p s VAL 47 Ca 0.34 -0.87 -0.18 0.00 0.00 0.00 0.00 61.98 61.28 1r9p s VAL 47 Cb -0.02 -1.31 -0.08 0.00 0.00 0.00 0.00 36.38 34.97 1r9p s VAL 47 CO 0.20 -0.31 1.28 -0.78 0.00 0.00 0.00 175.10 175.49 1r9p h ASP 48 N 8.16 -0.76 0.00 3.32 3.58 -1.73 -3.47 116.42 125.52 1r9p h ASP 48 Ca -0.16 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.36 1r9p h ASP 48 Cb 1.09 0.27 0.00 0.00 1.72 0.00 0.00 39.33 42.40 1r9p h ASP 48 CO 0.38 -0.30 0.00 -0.67 -2.88 0.00 0.00 179.24 175.77 1r9p n ASP 49 N -3.93 0.00 -1.20 2.28 -0.08 -1.26 -4.95 116.55 107.41 1r9p n ASP 49 Ca -0.05 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.29 1r9p n ASP 49 Cb 0.22 0.00 0.24 0.00 2.34 0.00 0.00 41.12 43.92 1r9p n ASP 49 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1r9p n ASN 50 N 0.00 3.47 0.00 1.67 3.02 -1.26 -4.84 115.26 117.32 1r9p n ASN 50 Ca 0.00 -2.38 0.00 0.00 -0.03 0.00 0.00 54.58 52.17 1r9p n ASN 50 Cb 0.00 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 1r9p n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r9p n GLY 51 N 0.70 0.44 3.55 7.41 0.00 -1.26 -5.04 105.19 110.98 1r9p n GLY 51 Ca 0.17 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.00 3.25 -0.40 -0.61 -1.09 -1.26 -3.02 121.20 116.07 1r9p s ILE 52 Ca 0.00 -1.18 -0.27 0.00 -2.23 0.00 0.00 60.65 56.97 1r9p s ILE 52 Cb 0.00 -2.47 0.02 0.00 -1.58 0.00 0.00 42.46 38.43 1r9p s ILE 52 CO 0.00 0.21 1.01 -0.63 -1.23 0.00 0.00 174.94 174.30 1r9p s ILE 53 N -1.10 4.45 -0.04 2.92 1.01 -0.21 -2.04 121.20 126.20 1r9p s ILE 53 Ca 0.19 1.24 -0.02 0.00 0.00 0.00 0.00 60.65 62.06 1r9p s ILE 53 Cb -0.11 -4.44 -0.27 0.00 0.01 0.00 0.00 42.46 37.66 1r9p s ILE 53 CO 0.10 -0.69 0.68 -0.08 0.00 0.00 0.00 174.94 174.95 1r9p h GLU 54 N 8.69 0.23 -4.95 2.79 4.81 -1.90 0.90 114.58 125.15 1r9p h GLU 54 Ca -0.23 -0.40 -0.34 0.00 -0.13 0.00 0.00 59.36 58.27 1r9p h GLU 54 Cb 1.07 0.15 -0.14 0.00 0.63 0.00 0.00 28.75 30.45 1r9p h GLU 54 CO 1.04 1.07 -0.66 -0.51 -0.73 0.00 0.00 179.01 179.22 1r9p s ASP 55 N -6.89 1.52 -0.26 1.04 1.01 -1.26 -4.68 116.67 107.14 1r9p s ASP 55 Ca -0.13 -1.21 -0.09 0.00 0.71 0.00 0.00 52.55 51.83 1r9p s ASP 55 Cb 0.07 0.07 0.11 0.00 1.01 0.00 0.00 42.92 44.18 1r9p s ASP 55 CO 0.83 -0.55 0.56 0.00 0.21 0.00 0.00 175.17 176.22 1r9p s ALA 56 N -3.55 -1.71 0.24 5.23 0.00 -1.26 -2.16 121.76 118.55 1r9p s ALA 56 Ca 0.27 2.04 0.08 0.00 0.00 0.00 0.00 51.96 54.35 1r9p s ALA 56 Cb 0.06 -1.60 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 1r9p s ALA 56 CO 0.07 -0.85 0.12 0.21 0.00 0.00 0.00 175.76 175.32 1r9p s LYS 57 N 2.76 2.72 0.11 0.00 2.20 -1.23 -4.99 119.74 121.31 1r9p s LYS 57 Ca -0.05 -1.13 -0.25 0.00 -0.36 0.00 0.00 55.97 54.18 1r9p s LYS 57 Cb -0.12 -2.45 0.08 0.00 -1.51 0.00 0.00 37.83 33.82 1r9p s LYS 57 CO -0.17 0.40 0.76 -0.59 -0.36 0.00 0.00 175.35 175.39 1r9p s PHE 58 N -2.12 -0.39 -0.30 4.03 -0.71 -1.26 -1.87 117.98 115.37 1r9p s PHE 58 Ca 0.32 0.17 -0.15 0.00 -1.04 0.00 0.00 56.93 56.22 1r9p s PHE 58 Cb -0.08 0.58 0.17 0.00 -1.21 0.00 0.00 43.02 42.48 1r9p s PHE 58 CO 0.23 -0.78 1.04 0.21 -1.34 0.00 0.00 175.22 174.58 1r9p s LYS 59 N -3.49 0.25 -0.35 1.99 2.47 -0.85 -5.00 119.74 114.76 1r9p s LYS 59 Ca 0.05 0.61 0.00 0.00 -1.56 0.00 0.00 55.97 55.08 1r9p s LYS 59 Cb -0.02 0.37 0.09 0.00 -1.46 0.00 0.00 37.83 36.82 1r9p s LYS 59 CO -0.08 -0.09 0.09 0.95 0.16 0.00 0.00 175.35 176.37 1r9p s THR 60 N 2.41 2.75 -0.30 3.43 -4.23 -1.26 -2.16 115.64 116.28 1r9p s THR 60 Ca -0.02 -2.03 -0.06 0.00 -1.18 0.00 0.00 61.69 58.40 1r9p s THR 60 Cb -0.05 -2.87 0.02 0.00 1.34 0.00 0.00 72.50 70.94 1r9p s THR 60 CO -0.17 -0.51 0.07 -0.47 -0.54 0.00 0.00 174.62 173.00 1r9p s TYR 61 N 1.06 3.17 0.00 3.99 6.14 -1.26 -4.51 117.35 125.94 1r9p s TYR 61 Ca 0.06 -1.18 0.00 0.00 0.64 0.00 0.00 57.07 56.59 1r9p s TYR 61 Cb -0.21 -2.24 0.00 0.00 0.42 0.00 0.00 41.96 39.94 1r9p s TYR 61 CO -0.05 -0.64 0.00 0.41 0.64 0.00 0.00 175.55 175.91 1r9p n GLY 62 N 4.83 3.50 3.83 8.97 0.00 -1.26 -3.82 105.19 121.23 1r9p n GLY 62 Ca -0.14 -0.98 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.00 4.53 0.00 0.00 0.00 -1.26 -4.71 105.19 102.75 1r9p n GLY 64 Ca 0.07 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.15 1r9p n GLY 64 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r9p n SER 65 N -0.65 0.00 0.04 1.61 3.41 -1.26 -4.95 113.62 111.83 1r9p n SER 65 Ca 0.28 -0.04 -0.18 0.00 -0.26 0.00 0.00 58.87 58.67 1r9p n SER 65 Cb 0.90 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.71 1r9p n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r9p h ALA 66 N 0.00 0.34 -0.80 7.33 0.00 -1.97 -3.36 119.26 120.80 1r9p h ALA 66 Ca 0.00 -1.22 0.18 0.00 0.00 0.00 0.00 54.91 53.87 1r9p h ALA 66 Cb 0.02 0.43 -0.15 0.00 0.00 0.00 0.00 17.79 18.08 1r9p h ALA 66 CO 0.00 1.21 -0.13 -0.89 0.00 0.00 0.00 179.25 179.44 1r9p n ILE 67 N -3.44 -0.34 0.03 0.00 5.41 -1.26 0.12 119.36 119.89 1r9p n ILE 67 Ca -0.21 1.81 -0.11 0.00 1.00 0.00 0.00 62.75 65.24 1r9p n ILE 67 Cb 1.05 -2.55 -0.04 0.00 -0.71 0.00 0.00 39.64 37.39 1r9p n ILE 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1r9p h ALA 68 N 1.60 -0.38 -0.08 -1.39 0.00 -1.98 0.42 119.26 117.45 1r9p h ALA 68 Ca 0.42 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 1r9p h ALA 68 Cb 0.72 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1r9p h ALA 68 CO -0.80 -0.79 0.04 0.66 0.00 0.00 0.00 179.25 178.36 1r9p h SER 69 N -0.41 0.11 -0.76 0.00 4.64 0.75 -2.38 113.55 115.51 1r9p h SER 69 Ca 0.08 -0.10 0.17 0.00 -0.47 0.00 0.00 61.79 61.47 1r9p h SER 69 Cb 0.52 -0.03 -0.12 0.00 -0.31 0.00 0.00 62.40 62.46 1r9p h SER 69 CO -0.29 0.18 0.10 0.28 -0.87 0.00 0.00 176.83 176.23 1r9p h SER 70 N 0.03 -0.17 -0.49 4.97 0.02 0.10 0.70 113.55 118.71 1r9p h SER 70 Ca 0.03 0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 61.14 1r9p h SER 70 Cb 0.10 0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 1r9p h SER 70 CO -0.00 -0.13 0.25 0.28 -1.14 0.00 0.00 176.83 176.09 1r9p h SER 71 N 0.17 0.66 0.07 3.07 0.02 -0.56 0.13 113.55 117.11 1r9p h SER 71 Ca 0.43 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.32 1r9p h SER 71 Cb 0.77 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1r9p h SER 71 CO -0.60 0.56 -0.04 0.25 -1.14 0.00 0.00 176.83 175.86 1r9p h LEU 72 N 0.73 -0.08 -0.68 5.07 6.46 0.82 -2.53 115.31 125.09 1r9p h LEU 72 Ca 0.18 0.00 0.15 0.00 -0.12 0.00 0.00 57.88 58.09 1r9p h LEU 72 Cb 0.07 0.02 -0.11 0.00 -0.73 0.00 0.00 40.66 39.91 1r9p h LEU 72 CO -0.03 -0.03 0.04 -0.29 -0.62 0.00 0.00 178.44 177.51 1r9p h ILE 73 N -0.16 0.45 -0.75 4.05 2.10 -1.01 0.21 117.51 122.40 1r9p h ILE 73 Ca -0.01 -0.05 0.16 0.00 1.08 0.00 0.00 64.86 66.05 1r9p h ILE 73 Cb 0.08 0.30 -0.11 0.00 -1.09 0.00 0.00 36.82 35.99 1r9p h ILE 73 CO 0.02 0.03 0.20 0.71 -1.08 0.00 0.00 178.15 178.02 1r9p h THR 74 N 0.14 0.52 -0.02 2.19 1.35 -0.80 0.85 112.91 117.13 1r9p h THR 74 Ca 0.37 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 66.13 1r9p h THR 74 Cb 0.62 0.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.24 1r9p h THR 74 CO -0.57 0.05 0.00 -0.62 -0.25 0.00 0.00 175.52 174.14 1r9p n GLU 75 N -5.14 1.41 -0.01 4.72 -0.58 0.46 -3.39 120.64 118.12 1r9p n GLU 75 Ca 0.15 -0.60 0.11 0.00 -0.42 0.00 0.00 57.16 56.39 1r9p n GLU 75 Cb 0.47 -1.47 -0.15 0.00 -0.57 0.00 0.00 31.44 29.71 1r9p n GLU 75 CO 0.00 0.00 0.00 1.87 -0.48 0.00 0.00 177.13 178.52 1r9p n TRP 76 N -0.26 0.01 -0.22 -0.32 -0.00 0.27 -4.24 117.44 112.69 1r9p n TRP 76 Ca 0.20 0.00 0.05 0.00 -0.00 0.00 0.00 57.50 57.76 1r9p n TRP 76 Cb 0.26 -0.38 0.14 0.00 -0.00 0.00 0.00 31.31 31.33 1r9p n TRP 76 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 177.69 179.02 1r9p n VAL 77 N -2.08 1.10 -2.79 5.87 0.24 -0.06 -4.77 118.33 115.84 1r9p n VAL 77 Ca -0.02 -1.07 -0.43 0.00 -2.04 0.00 0.00 64.34 60.79 1r9p n VAL 77 Cb 0.51 0.44 -0.04 0.00 -1.47 0.00 0.00 33.84 33.28 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 -1.14 3.27 0.00 7.34 2.20 -1.22 -3.47 119.74 126.72 1r9p s LYS 78 Ca 0.22 -0.38 0.00 0.00 -0.36 0.00 0.00 55.97 55.45 1r9p s LYS 78 Cb 0.12 -4.11 0.00 0.00 -1.51 0.00 0.00 37.83 32.33 1r9p s LYS 78 CO 0.14 -1.67 0.00 0.41 -0.36 0.00 0.00 175.35 173.86 1r9p n GLY 79 N 5.20 0.74 0.44 5.54 0.00 0.31 -5.03 105.19 112.40 1r9p n GLY 79 Ca 0.01 -0.53 -0.02 0.00 0.00 0.00 0.00 46.02 45.47 1r9p n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r9p n LYS 80 N -2.35 0.81 -4.79 1.61 4.76 -1.23 -4.70 118.16 112.28 1r9p n LYS 80 Ca 0.00 -0.34 -0.33 0.00 -2.87 0.00 0.00 58.31 54.77 1r9p n LYS 80 Cb 0.02 -0.04 -0.12 0.00 -1.84 0.00 0.00 35.03 33.05 1r9p n LYS 80 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1r9p s SER 81 N -1.42 4.26 0.55 4.39 0.15 -1.26 -1.04 113.70 119.33 1r9p s SER 81 Ca 0.07 -0.13 0.28 0.00 0.70 0.00 0.00 55.95 56.87 1r9p s SER 81 Cb -0.01 -0.99 1.46 0.00 -1.71 0.00 0.00 66.02 64.78 1r9p s SER 81 CO 0.05 0.35 1.94 -0.07 1.20 0.00 0.00 173.24 176.71 1r9p h LEU 82 N 5.34 0.00 -1.99 3.45 3.38 -1.91 0.47 115.31 124.05 1r9p h LEU 82 Ca -0.47 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 1r9p h LEU 82 Cb 1.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1r9p h LEU 82 CO 0.51 0.00 0.00 -0.08 0.09 0.00 0.00 178.44 178.97 1r9p h GLU 83 N 0.00 0.01 0.00 1.13 4.81 -1.90 0.13 114.58 118.76 1r9p h GLU 83 Ca 0.29 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.47 1r9p h GLU 83 Cb 1.24 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 1r9p h GLU 83 CO -0.00 0.01 -0.55 0.93 -0.73 0.00 0.00 179.01 178.67 1r9p h GLU 84 N 0.01 0.00 0.00 1.92 4.39 -0.49 -3.33 114.58 117.08 1r9p h GLU 84 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1r9p h GLU 84 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1r9p h GLU 84 CO -0.00 0.23 0.25 0.00 -1.16 0.00 0.00 179.01 178.33 1r9p h ALA 85 N -0.86 1.21 -1.18 3.43 0.00 -1.38 -0.65 119.26 119.83 1r9p h ALA 85 Ca -0.07 0.00 -0.70 0.00 0.00 0.00 0.00 54.91 54.14 1r9p h ALA 85 Cb 0.60 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 18.06 1r9p h ALA 85 CO -0.04 -0.21 0.39 0.41 0.00 0.00 0.00 179.25 179.80 1r9p n GLY 86 N -1.24 5.72 0.00 0.00 0.00 0.46 -4.46 105.19 105.67 1r9p n GLY 86 Ca -0.02 -2.58 0.00 0.00 0.00 0.00 0.00 46.02 43.42 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 -0.53 0.00 -0.50 4.61 0.00 -0.32 -4.90 120.51 118.87 1r9p n ALA 87 Ca 0.49 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.74 1r9p n ALA 87 Cb 0.41 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.02 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 -0.28 0.00 -3.83 0.00 -5.35 -0.80 -5.04 119.36 104.07 1r9p n ILE 88 Ca 0.00 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.45 1r9p n ILE 88 Cb 0.00 -0.53 0.00 0.00 -1.74 0.00 0.00 39.64 37.37 1r9p n ILE 88 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1r9p n LYS 89 N -2.10 0.34 -0.08 6.28 5.02 -1.26 -5.07 118.16 121.28 1r9p n LYS 89 Ca 0.06 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.27 1r9p n LYS 89 Cb 0.36 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.24 1r9p n LYS 89 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1r9p n ASN 90 N -2.24 0.99 -0.22 4.39 6.94 -1.26 -4.36 115.26 119.49 1r9p n ASN 90 Ca 0.00 -0.01 0.21 0.00 -0.02 0.00 0.00 54.58 54.76 1r9p n ASN 90 Cb 0.00 0.82 0.57 0.00 -2.36 0.00 0.00 39.78 38.80 1r9p n ASN 90 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1r9p h SER 91 N 0.00 0.30 0.17 0.53 0.02 -1.97 -0.26 113.55 112.34 1r9p h SER 91 Ca -0.46 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.52 1r9p h SER 91 Cb 2.01 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 64.53 1r9p h SER 91 CO 0.02 0.12 -0.08 1.56 -1.14 0.00 0.00 176.83 177.30 1r9p h GLN 92 N 0.30 -0.22 -0.98 3.45 4.20 -1.99 0.12 115.11 119.98 1r9p h GLN 92 Ca 0.45 0.02 0.31 0.00 0.06 0.00 0.00 58.65 59.49 1r9p h GLN 92 Cb 1.29 0.05 -0.15 0.00 0.30 0.00 0.00 27.48 28.97 1r9p h GLN 92 CO -0.14 -0.15 0.51 0.82 -0.67 0.00 0.00 178.83 179.20 1r9p h ILE 93 N -0.39 0.28 -0.02 2.54 2.04 -1.67 0.28 117.51 120.57 1r9p h ILE 93 Ca -0.02 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 1r9p h ILE 93 Cb 0.18 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.23 1r9p h ILE 93 CO 0.04 0.05 -0.01 0.00 0.00 0.00 0.00 178.15 178.24 1r9p h ALA 94 N 1.85 0.03 -0.22 1.87 0.00 -1.04 -2.22 119.26 119.52 1r9p h ALA 94 Ca 0.71 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.49 1r9p h ALA 94 Cb 1.62 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 1r9p h ALA 94 CO -0.63 -0.27 0.30 1.49 0.00 0.00 0.00 179.25 180.14 1r9p h GLU 95 N -0.33 0.00 0.07 0.00 4.81 0.23 0.61 114.58 119.97 1r9p h GLU 95 Ca 0.00 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.97 1r9p h GLU 95 Cb 0.39 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1r9p h GLU 95 CO 0.00 0.00 -1.29 1.49 -0.73 0.00 0.00 179.01 178.48 1r9p h GLU 96 N 0.00 0.16 0.00 1.92 4.81 -0.74 -3.27 114.58 117.45 1r9p h GLU 96 Ca 0.11 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1r9p h GLU 96 Cb 0.71 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1r9p h GLU 96 CO -0.00 1.06 -0.67 -0.07 -0.73 0.00 0.00 179.01 178.59 1r9p h LEU 97 N 0.04 0.00 -3.12 1.64 4.07 -0.13 -3.49 115.31 114.33 1r9p h LEU 97 Ca -0.14 -0.22 -0.27 0.00 0.08 0.00 0.00 57.88 57.34 1r9p h LEU 97 Cb 1.93 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.67 1r9p h LEU 97 CO 0.16 0.11 -0.73 1.21 -1.08 0.00 0.00 178.44 178.11 1r9p n GLU 98 N -2.12 -1.68 -4.65 1.13 2.13 0.18 -4.99 120.64 110.65 1r9p n GLU 98 Ca 0.03 1.29 -0.22 0.00 0.66 0.00 0.00 57.16 58.92 1r9p n GLU 98 Cb 0.44 -3.69 -0.15 0.00 0.27 0.00 0.00 31.44 28.31 1r9p n GLU 98 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 1r9p s LEU 99 N -3.87 2.02 0.43 4.31 2.34 -1.26 -5.09 118.68 117.56 1r9p s LEU 99 Ca 0.11 -0.25 -0.21 0.00 0.06 0.00 0.00 54.13 53.84 1r9p s LEU 99 Cb -0.02 -0.73 -0.14 0.00 -0.56 0.00 0.00 46.19 44.74 1r9p s LEU 99 CO 0.83 0.17 0.24 -2.65 -1.06 0.00 0.00 176.35 173.88 1r9p n PRO 100 N 2.76 0.20 0.25 1.48 -0.02 -1.26 -4.82 135.00 133.60 1r9p n PRO 100 Ca -0.14 0.07 0.14 0.00 -2.02 0.00 0.00 63.50 61.56 1r9p n PRO 100 Cb 0.55 -1.20 0.53 0.00 -0.02 0.00 0.00 33.50 33.36 1r9p n PRO 100 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1r9p h PRO 101 N 0.43 0.00 0.00 0.52 0.13 -2.00 -2.93 132.00 128.16 1r9p h PRO 101 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1r9p h PRO 101 Cb 1.43 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.56 1r9p h PRO 101 CO 0.48 0.06 0.00 0.28 -0.23 0.00 0.00 178.00 178.59 1r9p n VAL 102 N -3.16 0.52 -1.44 1.56 0.31 -1.26 -2.33 118.33 112.52 1r9p n VAL 102 Ca 0.01 0.13 0.01 0.00 -0.01 0.00 0.00 64.34 64.48 1r9p n VAL 102 Cb 0.38 -0.91 0.02 0.00 -0.91 0.00 0.00 33.84 32.42 1r9p n VAL 102 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1r9p n LYS 103 N -1.23 0.39 0.17 5.55 5.02 -1.11 -4.79 118.16 122.14 1r9p n LYS 103 Ca 0.07 -1.10 0.11 0.00 -2.02 0.00 0.00 58.31 55.38 1r9p n LYS 103 Cb 0.10 -0.67 0.60 0.00 -0.02 0.00 0.00 35.03 35.04 1r9p n LYS 103 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1r9p n VAL 104 N -0.22 0.99 0.00 -0.18 3.14 -0.98 -3.74 118.33 117.34 1r9p n VAL 104 Ca 0.02 0.71 0.00 0.00 -2.96 0.00 0.00 64.34 62.11 1r9p n VAL 104 Cb 0.60 -1.71 0.00 0.00 -1.06 0.00 0.00 33.84 31.67 1r9p n VAL 104 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94 1r9p n HIS 105 N -2.28 0.00 -0.23 1.45 -0.00 -1.26 -0.43 115.22 112.46 1r9p n HIS 105 Ca -0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.66 1r9p n HIS 105 Cb 0.05 -0.08 -0.04 0.00 -0.00 0.00 0.00 29.99 29.92 1r9p n HIS 105 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1r9p h SER 107 N 0.00 -0.94 -0.97 0.00 0.87 -0.99 0.10 113.55 111.61 1r9p h SER 107 Ca 0.11 0.10 0.32 0.00 -1.23 0.00 0.00 61.79 61.10 1r9p h SER 107 Cb 0.25 0.35 -0.17 0.00 -0.44 0.00 0.00 62.40 62.40 1r9p h SER 107 CO -0.54 -0.31 0.35 0.40 -0.53 0.00 0.00 176.83 176.21 1r9p h ILE 108 N -0.41 0.14 -0.21 2.23 2.04 0.11 2.00 117.51 123.41 1r9p h ILE 108 Ca 0.00 -0.04 -0.06 0.00 1.00 0.00 0.00 64.86 65.77 1r9p h ILE 108 Cb 0.43 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 1r9p h ILE 108 CO -0.19 0.02 -0.12 0.25 0.00 0.00 0.00 178.15 178.11 1r9p h LEU 109 N 0.11 0.32 -0.19 1.44 5.85 0.63 -0.98 115.31 122.51 1r9p h LEU 109 Ca 0.70 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 59.35 1r9p h LEU 109 Cb 1.63 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.56 1r9p h LEU 109 CO -0.75 0.48 0.11 0.00 -0.34 0.00 0.00 178.44 177.94 1r9p h ALA 110 N 1.56 0.23 0.11 1.25 0.00 0.50 0.16 119.26 123.07 1r9p h ALA 110 Ca 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1r9p h ALA 110 Cb 0.42 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1r9p h ALA 110 CO 0.02 -0.30 -0.05 1.49 0.00 0.00 0.00 179.25 180.41 1r9p h GLU 111 N 0.23 -0.14 -0.54 0.00 4.57 -1.16 -2.75 114.58 114.80 1r9p h GLU 111 Ca 0.07 0.01 0.16 0.00 -1.18 0.00 0.00 59.36 58.42 1r9p h GLU 111 Cb -0.01 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 1r9p h GLU 111 CO -0.03 0.27 0.43 0.22 -1.18 0.00 0.00 179.01 178.72 1r9p h ASP 112 N -0.59 0.00 0.56 1.04 1.82 -1.08 -2.16 116.42 116.01 1r9p h ASP 112 Ca -0.01 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.60 1r9p h ASP 112 Cb 0.47 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.49 1r9p h ASP 112 CO 0.02 0.00 -0.27 0.00 -1.61 0.00 0.00 179.24 177.38 1r9p h ALA 113 N 1.66 -0.80 -1.11 -0.78 0.00 -0.42 -0.33 119.26 117.48 1r9p h ALA 113 Ca 0.26 -0.17 0.31 0.00 0.00 0.00 0.00 54.91 55.31 1r9p h ALA 113 Cb 1.11 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 19.11 1r9p h ALA 113 CO -0.00 -0.74 0.75 0.97 0.00 0.00 0.00 179.25 180.22 1r9p h ILE 114 N -1.13 0.45 0.00 0.00 6.09 -1.13 1.07 117.51 122.87 1r9p h ILE 114 Ca -0.08 -0.07 -0.15 0.00 -1.37 0.00 0.00 64.86 63.19 1r9p h ILE 114 Cb 0.58 0.22 -0.02 0.00 0.47 0.00 0.00 36.82 38.06 1r9p h ILE 114 CO 0.13 0.04 -0.70 0.50 -3.07 0.00 0.00 178.15 175.04 1r9p h LYS 115 N 0.22 0.00 0.43 2.19 3.11 -1.27 -2.67 116.57 118.59 1r9p h LYS 115 Ca 0.59 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 58.41 1r9p h LYS 115 Cb 1.86 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.10 1r9p h LYS 115 CO -0.19 0.70 -0.21 0.00 -2.81 0.00 0.00 179.45 176.94 1r9p h ALA 116 N 1.30 -0.58 0.11 5.00 0.00 0.30 -1.99 119.26 123.40 1r9p h ALA 116 Ca -0.01 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1r9p h ALA 116 Cb 1.36 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 1r9p h ALA 116 CO 0.09 -0.64 -0.16 0.00 0.00 0.00 0.00 179.25 178.54 1r9p h ALA 117 N -0.64 -0.29 -1.02 0.00 0.00 -1.47 -0.09 119.26 115.76 1r9p h ALA 117 Ca -0.06 -0.03 0.25 0.00 0.00 0.00 0.00 54.91 55.07 1r9p h ALA 117 Cb 0.57 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 18.50 1r9p h ALA 117 CO 0.10 -0.69 0.62 0.82 0.00 0.00 0.00 179.25 180.10 1r9p h ILE 118 N -0.33 0.54 -0.06 0.00 2.04 -1.52 0.65 117.51 118.82 1r9p h ILE 118 Ca 0.02 -0.18 -0.15 0.00 1.00 0.00 0.00 64.86 65.54 1r9p h ILE 118 Cb 0.34 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 1r9p h ILE 118 CO -0.08 0.10 -0.64 0.00 0.00 0.00 0.00 178.15 177.53 1r9p h ALA 119 N 1.69 0.79 0.00 1.87 0.00 -0.46 0.56 119.26 123.71 1r9p h ALA 119 Ca 0.63 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1r9p h ALA 119 Cb 1.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1r9p h ALA 119 CO -0.41 0.75 0.00 -0.25 0.00 0.00 0.00 179.25 179.34 1r9p n ASP 120 N -3.85 0.00 -0.08 0.00 8.00 0.21 -2.12 116.55 118.71 1r9p n ASP 120 Ca -0.03 0.20 -0.11 0.00 0.71 0.00 0.00 54.79 55.56 1r9p n ASP 120 Cb 0.64 -0.39 -0.08 0.00 -0.02 0.00 0.00 41.12 41.27 1r9p n ASP 120 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r9p n TYR 121 N -1.39 0.00 0.03 1.24 9.36 0.00 -4.15 117.16 122.25 1r9p n TYR 121 Ca 0.09 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.22 1r9p n TYR 121 Cb 0.25 -0.67 0.05 0.00 -0.63 0.00 0.00 39.34 38.34 1r9p n TYR 121 CO 0.00 0.00 0.00 -0.22 0.22 0.00 0.00 176.86 176.86 1r9p h LYS 122 N 0.00 0.49 0.00 2.98 3.64 -0.93 -2.83 116.57 119.91 1r9p h LYS 122 Ca -0.39 -0.33 -0.02 0.00 -1.27 0.00 0.00 60.65 58.64 1r9p h LYS 122 Cb 1.64 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 33.51 1r9p h LYS 122 CO -0.05 0.94 -0.12 0.00 -2.27 0.00 0.00 179.45 177.96 1r9p h ALA 123 N 0.98 1.03 -0.20 5.00 0.00 -1.65 -3.08 119.26 121.33 1r9p h ALA 123 Ca -0.01 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 1r9p h ALA 123 Cb 1.15 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 1r9p h ALA 123 CO 0.11 0.15 0.12 1.17 0.00 0.00 0.00 179.25 180.80 1r9p n LYS 124 N -3.28 1.52 -0.07 0.00 3.00 -1.07 -4.07 118.16 114.18 1r9p n LYS 124 Ca 0.00 -0.85 -0.14 0.00 -0.00 0.00 0.00 58.31 57.32 1r9p n LYS 124 Cb 0.36 -1.43 -0.05 0.00 0.00 0.00 0.00 35.03 33.91 1r9p n LYS 124 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1r9p n GLN 125 N 1.19 0.38 0.00 1.64 7.27 -1.17 -4.78 117.38 121.92 1r9p n GLN 125 Ca 0.20 0.16 0.00 0.00 0.07 0.00 0.00 57.00 57.43 1r9p n GLN 125 Cb 0.58 -1.15 0.00 0.00 2.41 0.00 0.00 30.24 32.08 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 1.94 -1.41 0.79 1.69 0.00 -1.26 -4.97 105.19 101.97 1r9p n GLY 126 Ca -0.26 0.68 0.05 0.00 0.00 0.00 0.00 46.02 46.49 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 3.56 0.00 0.99 4.32 -1.26 -5.06 117.00 119.55 1r9p n LEU 127 Ca 0.00 -3.34 0.00 0.00 -0.02 0.00 0.00 56.01 52.65 1r9p n LEU 127 Cb 0.00 -0.55 0.00 0.00 -1.62 0.00 0.00 43.42 41.25 1r9p n LEU 127 CO 0.00 0.92 0.00 -0.62 -1.22 0.00 0.00 177.39 176.47 1r9p n GLU 128 N -0.94 0.00 -3.65 3.23 1.02 -1.26 -4.81 120.64 114.23 1r9p n GLU 128 Ca 0.24 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.36 1r9p n GLU 128 Cb 0.87 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 32.25 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 0.00 -0.02 0.00 -0.32 3.76 -1.26 -5.11 115.29 112.34 1r9p s HIS 129 Ca 0.00 0.03 0.00 0.00 -0.15 0.00 0.00 55.06 54.94 1r9p s HIS 129 Cb 0.00 0.50 0.00 0.00 1.11 0.00 0.00 32.58 34.19 1r9p s HIS 129 CO 0.00 -0.02 0.00 0.72 -0.85 0.00 0.00 174.74 174.59 1r9p n HIS 130 N 0.52 -0.29 -3.20 1.40 8.25 -1.26 -5.16 115.22 115.48 1r9p n HIS 130 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1r9p n HIS 130 Cb 0.59 0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.90 1r9p n HIS 130 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1r9p n HIS 131 N -1.61 0.00 -4.22 4.41 8.25 -1.26 -5.18 115.22 115.61 1r9p n HIS 131 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.30 1r9p n HIS 131 Cb 0.00 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.03 1r9p n HIS 131 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1r9p s HIS 132 N -0.28 1.43 0.00 4.41 0.09 -1.26 -5.15 115.29 114.52 1r9p s HIS 132 Ca 0.00 -1.49 0.00 0.00 -0.00 0.00 0.00 55.06 53.57 1r9p s HIS 132 Cb 0.00 -0.55 0.00 0.00 -0.00 0.00 0.00 32.58 32.03 1r9p s HIS 132 CO 0.00 -0.84 0.00 0.72 -0.00 0.00 0.00 174.74 174.62 1r9p n HIS 133 N -0.49 0.00 1.95 1.40 8.25 -1.26 -5.34 115.22 119.72 1r9p n HIS 133 Ca 0.05 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.66 1r9p n HIS 133 Cb 0.63 0.00 0.91 0.00 1.12 0.00 0.00 29.99 32.65 1r9p n HIS 133 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70