#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rin s GLU 2 N 0.00 1.24 -0.02 -2.82 2.02 -1.26 -5.14 118.70 112.72 1rin s GLU 2 Ca 0.00 -0.46 0.02 0.00 0.02 0.00 0.00 54.97 54.56 1rin s GLU 2 Cb 0.00 -1.15 0.00 0.00 0.10 0.00 0.00 34.13 33.09 1rin s GLU 2 CO 0.00 0.22 -0.09 0.99 0.02 0.00 0.00 175.26 176.40 1rin s THR 3 N -0.04 0.77 -0.04 3.63 2.01 -1.26 -5.08 115.64 115.63 1rin s THR 3 Ca -0.00 -0.36 0.03 0.00 0.31 0.00 0.00 61.69 61.67 1rin s THR 3 Cb -0.08 -0.69 0.01 0.00 0.01 0.00 0.00 72.50 71.75 1rin s THR 3 CO 0.01 0.24 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.17 1rin s THR 4 N 0.17 1.00 0.02 -0.82 2.01 -1.26 -5.10 115.64 111.66 1rin s THR 4 Ca -0.03 -0.45 -0.12 0.00 0.31 0.00 0.00 61.69 61.40 1rin s THR 4 Cb -0.08 -0.89 0.02 0.00 0.01 0.00 0.00 72.50 71.55 1rin s THR 4 CO 0.00 0.31 0.26 -0.44 -0.69 0.00 0.00 174.62 174.07 1rin s SER 5 N 0.34 -0.09 0.08 3.53 0.01 -1.26 -5.09 113.70 111.21 1rin s SER 5 Ca -0.07 -0.15 -0.26 0.00 1.31 0.00 0.00 55.95 56.78 1rin s SER 5 Cb -0.12 0.31 0.08 0.00 0.21 0.00 0.00 66.02 66.51 1rin s SER 5 CO 0.02 -0.53 0.75 0.72 0.41 0.00 0.00 173.24 174.61 1rin s PHE 6 N -2.06 -0.43 -0.08 2.43 -0.71 -1.26 -5.16 117.98 110.71 1rin s PHE 6 Ca -0.09 0.25 -0.03 0.00 -1.04 0.00 0.00 56.93 56.02 1rin s PHE 6 Cb -0.03 0.55 0.05 0.00 -1.21 0.00 0.00 43.02 42.38 1rin s PHE 6 CO -0.01 -0.71 0.16 -1.17 -1.34 0.00 0.00 175.22 172.16 1rin s LEU 7 N -2.62 0.18 -0.25 -1.99 2.96 -1.26 -5.10 118.68 110.60 1rin s LEU 7 Ca 0.03 0.35 0.01 0.00 -0.22 0.00 0.00 54.13 54.30 1rin s LEU 7 Cb -0.01 0.34 0.07 0.00 0.50 0.00 0.00 46.19 47.09 1rin s LEU 7 CO -0.10 -0.21 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.04 1rin s ILE 8 N 1.91 1.64 -0.17 6.68 1.01 -1.26 -4.99 121.20 126.02 1rin s ILE 8 Ca -0.01 -1.37 0.22 0.00 0.00 0.00 0.00 60.65 59.48 1rin s ILE 8 Cb -0.12 -1.92 -0.10 0.00 0.01 0.00 0.00 42.46 40.33 1rin s ILE 8 CO -0.06 -0.16 0.87 0.41 0.00 0.00 0.00 174.94 176.00 1rin n THR 9 N 4.61 0.53 -3.65 2.92 -1.04 -1.26 -4.88 114.28 111.52 1rin n THR 9 Ca -0.11 -0.55 -0.08 0.00 -2.04 0.00 0.00 64.05 61.27 1rin n THR 9 Cb 0.43 -0.29 -0.08 0.00 -1.82 0.00 0.00 70.33 68.58 1rin n THR 9 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1rin s LYS 10 N -3.35 0.66 0.23 -2.82 2.20 -1.26 -5.09 119.74 110.31 1rin s LYS 10 Ca -0.03 1.16 -0.17 0.00 -0.36 0.00 0.00 55.97 56.56 1rin s LYS 10 Cb 0.10 0.12 -0.08 0.00 -1.51 0.00 0.00 37.83 36.46 1rin s LYS 10 CO 0.82 -0.15 0.69 -0.06 -0.36 0.00 0.00 175.35 176.29 1rin s PHE 11 N 1.58 3.58 0.14 4.03 0.08 -1.00 -4.90 117.98 121.48 1rin s PHE 11 Ca -0.10 1.28 0.04 0.00 0.12 0.00 0.00 56.93 58.27 1rin s PHE 11 Cb -0.06 -2.55 -0.04 0.00 -0.57 0.00 0.00 43.02 39.81 1rin s PHE 11 CO -0.18 0.30 0.15 -1.12 -0.10 0.00 0.00 175.22 174.26 1rin s SER 12 N -1.82 5.69 0.36 1.36 0.01 -1.25 -0.78 113.70 117.28 1rin s SER 12 Ca 0.45 -0.03 0.08 0.00 1.31 0.00 0.00 55.95 57.75 1rin s SER 12 Cb -0.15 -1.55 0.79 0.00 0.21 0.00 0.00 66.02 65.32 1rin s SER 12 CO 0.20 0.10 1.90 -0.65 0.41 0.00 0.00 173.24 175.20 1rin h PRO 13 N 2.62 0.70 -4.54 12.44 0.11 -1.84 -3.26 132.00 138.22 1rin h PRO 13 Ca -0.47 -0.04 -0.70 0.00 0.11 0.00 0.00 66.00 64.89 1rin h PRO 13 Cb 1.19 -0.16 -0.29 0.00 0.11 0.00 0.00 31.00 31.85 1rin h PRO 13 CO 0.65 0.46 -0.53 0.34 -0.21 0.00 0.00 178.00 178.71 1rin s ASP 14 N -5.93 5.44 -0.75 -2.05 2.15 -1.26 -4.79 116.67 109.48 1rin s ASP 14 Ca -0.10 -1.45 0.03 0.00 0.43 0.00 0.00 52.55 51.47 1rin s ASP 14 Cb 0.21 -1.91 0.18 0.00 -0.30 0.00 0.00 42.92 41.10 1rin s ASP 14 CO 0.78 -0.46 0.57 -1.58 -0.17 0.00 0.00 175.17 174.31 1rin s GLN 15 N 1.37 2.67 0.30 4.34 2.00 -1.23 -4.96 119.66 124.15 1rin s GLN 15 Ca 0.02 -3.34 0.24 0.00 -2.00 0.00 0.00 55.36 50.28 1rin s GLN 15 Cb -0.22 -3.56 1.05 0.00 0.80 0.00 0.00 33.01 31.09 1rin s GLN 15 CO 0.01 -1.28 1.74 1.96 -0.50 0.00 0.00 175.29 177.22 1rin h GLN 16 N 5.54 0.00 -0.38 1.67 4.20 -1.94 -2.90 115.11 121.30 1rin h GLN 16 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1rin h GLN 16 Cb 0.77 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.55 1rin h GLN 16 CO 0.75 0.00 0.00 0.27 -0.67 0.00 0.00 178.83 179.18 1rin n ASN 17 N -2.32 1.91 -4.46 1.46 6.94 -1.26 -4.84 115.26 112.68 1rin n ASN 17 Ca 0.01 -2.04 -0.27 0.00 -0.02 0.00 0.00 54.58 52.26 1rin n ASN 17 Cb 0.21 -0.26 -0.11 0.00 -2.36 0.00 0.00 39.78 37.26 1rin n ASN 17 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1rin s LEU 18 N -1.02 2.58 -0.19 -4.53 1.43 -1.10 -0.60 118.68 115.26 1rin s LEU 18 Ca 0.22 -0.74 -0.05 0.00 -1.03 0.00 0.00 54.13 52.53 1rin s LEU 18 Cb 0.12 -1.34 -0.03 0.00 0.03 0.00 0.00 46.19 44.97 1rin s LEU 18 CO 0.14 0.13 0.00 -0.63 0.23 0.00 0.00 176.35 176.22 1rin s ILE 19 N -1.53 4.05 -0.07 -0.59 1.01 0.10 -4.77 121.20 119.39 1rin s ILE 19 Ca 0.21 -0.29 -0.04 0.00 0.00 0.00 0.00 60.65 60.53 1rin s ILE 19 Cb -0.09 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 1rin s ILE 19 CO 0.11 0.45 0.12 -0.36 0.00 0.00 0.00 174.94 175.25 1rin s PHE 20 N 0.78 3.47 0.08 3.97 0.08 -1.26 -1.14 117.98 123.95 1rin s PHE 20 Ca 0.00 0.39 0.01 0.00 0.12 0.00 0.00 56.93 57.45 1rin s PHE 20 Cb -0.14 -1.86 -0.04 0.00 -0.57 0.00 0.00 43.02 40.41 1rin s PHE 20 CO 0.02 0.65 -0.05 -0.65 -0.10 0.00 0.00 175.22 175.09 1rin s GLN 21 N -1.32 0.72 6.73 0.44 -0.21 -0.28 -4.99 119.66 120.77 1rin s GLN 21 Ca 0.19 -1.23 0.00 0.00 0.02 0.00 0.00 55.36 54.34 1rin s GLN 21 Cb -0.12 -0.07 0.00 0.00 1.00 0.00 0.00 33.01 33.82 1rin s GLN 21 CO 0.08 -0.04 0.00 0.41 -2.12 0.00 0.00 175.29 173.62 1rin n GLY 22 N 0.18 3.71 1.22 3.09 0.00 -1.26 -1.33 105.19 110.80 1rin n GLY 22 Ca -0.14 0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.00 1rin n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rin n ASP 23 N 5.90 4.17 -4.72 1.61 8.00 0.14 -4.90 116.55 126.76 1rin n ASP 23 Ca 0.00 -2.48 -0.42 0.00 0.71 0.00 0.00 54.79 52.60 1rin n ASP 23 Cb 0.00 -0.49 -0.03 0.00 -0.02 0.00 0.00 41.12 40.58 1rin n ASP 23 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rin n GLY 24 N 0.61 1.54 3.34 0.44 0.00 -0.86 -4.78 105.19 105.49 1rin n GLY 24 Ca 0.22 0.63 -0.14 0.00 0.00 0.00 0.00 46.02 46.73 1rin n GLY 24 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1rin s TYR 25 N 1.31 -0.32 0.28 1.61 1.13 -0.57 -4.61 117.35 116.17 1rin s TYR 25 Ca 0.76 0.37 0.09 0.00 -1.41 0.00 0.00 57.07 56.89 1rin s TYR 25 Cb -0.51 0.24 -0.04 0.00 -1.10 0.00 0.00 41.96 40.55 1rin s TYR 25 CO 0.33 -0.56 0.00 0.95 -2.51 0.00 0.00 175.55 173.76 1rin s THR 26 N -2.15 3.34 0.02 -3.49 -4.23 -1.26 -0.32 115.64 107.55 1rin s THR 26 Ca -0.07 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 1rin s THR 26 Cb -0.01 -2.84 -0.00 0.00 1.34 0.00 0.00 72.50 70.99 1rin s THR 26 CO 0.00 -0.35 0.02 0.35 -0.54 0.00 0.00 174.62 174.09 1rin n THR 27 N -0.91 0.00 -1.98 3.99 -2.24 -0.21 -4.71 114.28 108.21 1rin n THR 27 Ca -0.06 -0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 61.15 1rin n THR 27 Cb 0.59 0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.87 1rin n THR 27 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1rin s LYS 28 N -2.09 4.04 0.00 -0.78 1.02 -1.26 -3.67 119.74 117.01 1rin s LYS 28 Ca 0.02 2.10 0.00 0.00 0.02 0.00 0.00 55.97 58.11 1rin s LYS 28 Cb 0.00 -4.03 0.00 0.00 -0.52 0.00 0.00 37.83 33.28 1rin s LYS 28 CO 0.02 -1.02 0.00 0.39 -0.92 0.00 0.00 175.35 173.82 1rin n GLU 29 N 7.36 0.00 -4.33 1.68 1.02 0.04 -4.96 120.64 121.46 1rin n GLU 29 Ca 0.18 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.15 1rin n GLU 29 Cb 0.43 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.75 1rin n GLU 29 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1rin s LYS 30 N 0.00 1.29 -0.36 3.49 0.00 -1.25 -2.39 119.74 120.53 1rin s LYS 30 Ca 0.00 -1.59 -0.17 0.00 0.00 0.00 0.00 55.97 54.21 1rin s LYS 30 Cb 0.00 -0.92 -0.00 0.00 0.00 0.00 0.00 37.83 36.90 1rin s LYS 30 CO 0.00 0.10 0.43 -1.17 0.00 0.00 0.00 175.35 174.71 1rin s LEU 31 N -3.29 4.46 -0.33 2.77 2.96 -1.26 -1.05 118.68 122.93 1rin s LEU 31 Ca 0.23 -0.21 -0.16 0.00 -0.22 0.00 0.00 54.13 53.77 1rin s LEU 31 Cb 0.02 -2.44 -0.01 0.00 0.50 0.00 0.00 46.19 44.25 1rin s LEU 31 CO 0.06 -0.43 0.40 -0.89 -1.32 0.00 0.00 176.35 174.17 1rin s THR 32 N 2.18 5.14 -0.10 3.68 2.01 0.56 -4.96 115.64 124.15 1rin s THR 32 Ca 0.15 0.18 -0.17 0.00 0.31 0.00 0.00 61.69 62.16 1rin s THR 32 Cb -0.16 -3.84 -0.27 0.00 0.01 0.00 0.00 72.50 68.24 1rin s THR 32 CO 0.13 -0.09 0.58 -0.07 -0.69 0.00 0.00 174.62 174.48 1rin h LEU 33 N 8.80 0.37 -7.84 4.42 3.38 -1.87 -1.51 115.31 121.07 1rin h LEU 33 Ca -0.30 -0.85 -0.26 0.00 0.09 0.00 0.00 57.88 56.56 1rin h LEU 33 Cb 1.14 -0.12 -0.27 0.00 0.09 0.00 0.00 40.66 41.50 1rin h LEU 33 CO 0.70 1.58 -0.73 0.42 0.09 0.00 0.00 178.44 180.50 1rin s THR 34 N -2.46 0.18 0.69 0.22 -4.23 -1.26 -3.19 115.64 105.59 1rin s THR 34 Ca -0.20 -0.21 -0.08 0.00 -1.18 0.00 0.00 61.69 60.02 1rin s THR 34 Cb 0.04 -0.18 0.04 0.00 1.34 0.00 0.00 72.50 73.74 1rin s THR 34 CO 0.76 -0.02 1.03 -0.54 -0.54 0.00 0.00 174.62 175.31 1rin s LYS 35 N -0.25 2.50 -0.87 3.99 1.02 -1.26 -4.94 119.74 119.94 1rin s LYS 35 Ca -0.01 0.02 -0.18 0.00 0.02 0.00 0.00 55.97 55.82 1rin s LYS 35 Cb -0.02 -2.13 -0.12 0.00 -0.52 0.00 0.00 37.83 35.04 1rin s LYS 35 CO -0.00 -1.10 2.00 0.00 -0.92 0.00 0.00 175.35 175.32 1rin n ALA 36 N -2.91 3.80 -2.78 5.17 0.00 -1.26 -4.85 120.51 117.68 1rin n ALA 36 Ca 0.07 -3.13 -0.16 0.00 0.00 0.00 0.00 53.44 50.22 1rin n ALA 36 Cb 0.59 -3.51 -0.12 0.00 0.00 0.00 0.00 19.45 16.41 1rin n ALA 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1rin s VAL 37 N 4.53 0.78 0.57 0.00 -7.23 -1.26 -5.06 120.40 112.72 1rin s VAL 37 Ca 0.53 -1.10 -0.19 0.00 -1.81 0.00 0.00 61.98 59.41 1rin s VAL 37 Cb 0.14 -0.79 -0.05 0.00 0.56 0.00 0.00 36.38 36.24 1rin s VAL 37 CO 0.07 -0.26 1.16 -0.54 -0.31 0.00 0.00 175.10 175.21 1rin s LYS 38 N -1.51 3.19 -1.08 4.82 1.02 -1.26 -4.39 119.74 120.53 1rin s LYS 38 Ca -0.06 1.68 -0.14 0.00 0.02 0.00 0.00 55.97 57.48 1rin s LYS 38 Cb -0.09 -1.97 -0.03 0.00 -0.52 0.00 0.00 37.83 35.21 1rin s LYS 38 CO 0.01 -1.00 0.83 0.09 -0.92 0.00 0.00 175.35 174.37 1rin n ASN 39 N -1.45 -5.92 -4.17 2.83 5.03 -1.26 -5.01 115.26 105.31 1rin n ASN 39 Ca 0.12 -0.86 -0.11 0.00 0.87 0.00 0.00 54.58 54.61 1rin n ASN 39 Cb 0.50 -4.07 -0.10 0.00 -1.02 0.00 0.00 39.78 35.09 1rin n ASN 39 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 1rin s THR 40 N -3.40 0.68 -0.03 3.41 -1.32 -1.26 -5.06 115.64 108.66 1rin s THR 40 Ca 0.44 -1.93 -0.01 0.00 -1.21 0.00 0.00 61.69 58.97 1rin s THR 40 Cb -0.12 -1.68 0.03 0.00 -1.51 0.00 0.00 72.50 69.22 1rin s THR 40 CO 0.81 -0.87 0.06 -0.69 -2.21 0.00 0.00 174.62 171.73 1rin s VAL 41 N -3.63 -0.05 -0.04 5.08 1.01 -1.26 -4.70 120.40 116.81 1rin s VAL 41 Ca 0.12 0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.31 1rin s VAL 41 Cb 0.05 -0.13 0.01 0.00 0.00 0.00 0.00 36.38 36.32 1rin s VAL 41 CO -0.05 0.08 -0.09 -0.83 0.00 0.00 0.00 175.10 174.21 1rin s GLY 42 N 1.00 0.57 0.02 4.51 0.00 -1.19 0.26 107.32 112.49 1rin s GLY 42 Ca -0.08 -0.29 0.00 0.00 0.00 0.00 0.00 44.72 44.36 1rin s GLY 42 CO -0.04 0.07 -0.03 0.50 0.00 0.00 0.00 173.10 173.60 1rin s ARG 43 N 0.45 0.28 -0.09 2.90 0.52 -0.44 -4.85 118.95 117.74 1rin s ARG 43 Ca -0.08 -0.47 -0.03 0.00 -0.52 0.00 0.00 55.73 54.63 1rin s ARG 43 Cb -0.12 -0.02 0.05 0.00 0.52 0.00 0.00 34.95 35.38 1rin s ARG 43 CO 0.01 -0.01 0.17 0.00 0.02 0.00 0.00 175.30 175.49 1rin s ALA 44 N -1.02 -0.20 0.10 2.13 0.00 -1.26 -1.12 121.76 120.39 1rin s ALA 44 Ca -0.10 0.61 0.07 0.00 0.00 0.00 0.00 51.96 52.54 1rin s ALA 44 Cb -0.07 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 1rin s ALA 44 CO -0.00 -0.52 -0.11 -0.51 0.00 0.00 0.00 175.76 174.62 1rin s LEU 45 N 2.15 3.01 0.02 0.00 1.43 -0.29 -4.93 118.68 120.07 1rin s LEU 45 Ca 0.01 -0.39 -0.30 0.00 -1.03 0.00 0.00 54.13 52.42 1rin s LEU 45 Cb -0.12 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 1rin s LEU 45 CO -0.06 0.19 1.02 -0.47 0.23 0.00 0.00 176.35 177.25 1rin s TYR 46 N -1.19 3.63 0.20 0.29 5.04 -1.26 0.01 117.35 124.07 1rin s TYR 46 Ca 0.21 1.64 -0.16 0.00 -2.44 0.00 0.00 57.07 56.32 1rin s TYR 46 Cb -0.11 -3.17 0.20 0.00 0.35 0.00 0.00 41.96 39.23 1rin s TYR 46 CO 0.13 -0.22 1.36 0.45 -1.34 0.00 0.00 175.55 175.93 1rin n SER 47 N 3.78 -0.58 -4.79 4.32 2.88 0.23 -4.63 113.62 114.83 1rin n SER 47 Ca 0.06 1.53 -0.38 0.00 -1.33 0.00 0.00 58.87 58.75 1rin n SER 47 Cb 0.50 -0.35 -0.06 0.00 -0.75 0.00 0.00 64.21 63.55 1rin n SER 47 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1rin s SER 48 N -5.32 7.24 0.54 -3.46 0.15 -1.26 -5.02 113.70 106.57 1rin s SER 48 Ca -0.12 1.50 -0.20 0.00 0.70 0.00 0.00 55.95 57.83 1rin s SER 48 Cb 0.18 -2.45 -0.05 0.00 -1.71 0.00 0.00 66.02 61.99 1rin s SER 48 CO 0.62 0.19 1.19 -2.84 1.20 0.00 0.00 173.24 173.60 1rin s PRO 49 N -1.32 3.27 -0.14 5.44 0.02 -1.26 -5.05 135.00 135.96 1rin s PRO 49 Ca 0.36 1.78 -0.02 0.00 0.02 0.00 0.00 61.00 63.14 1rin s PRO 49 Cb -0.21 -2.08 -0.02 0.00 0.02 0.00 0.00 34.50 32.21 1rin s PRO 49 CO 0.23 -0.95 -0.09 0.42 -0.33 0.00 0.00 177.00 176.28 1rin s ILE 50 N -1.61 3.43 -0.66 2.83 -1.09 -1.26 -5.07 121.20 117.76 1rin s ILE 50 Ca 0.73 -0.53 -0.28 0.00 -2.23 0.00 0.00 60.65 58.34 1rin s ILE 50 Cb -0.29 -2.47 0.03 0.00 -1.58 0.00 0.00 42.46 38.15 1rin s ILE 50 CO 0.33 0.51 1.24 -2.28 -1.23 0.00 0.00 174.94 173.50 1rin s HIS 51 N 0.34 2.44 -0.27 3.97 2.46 -1.26 -4.86 115.29 118.12 1rin s HIS 51 Ca -0.08 0.18 0.22 0.00 0.47 0.00 0.00 55.06 55.85 1rin s HIS 51 Cb -0.15 -4.57 -0.21 0.00 -0.13 0.00 0.00 32.58 27.51 1rin s HIS 51 CO 0.04 -1.83 0.70 1.51 -2.47 0.00 0.00 174.74 172.69 1rin n ILE 52 N 6.52 0.12 -3.47 0.89 3.06 -1.26 -4.77 119.36 120.45 1rin n ILE 52 Ca 0.06 -0.41 -0.13 0.00 -2.50 0.00 0.00 62.75 59.77 1rin n ILE 52 Cb 0.49 0.10 -0.03 0.00 0.54 0.00 0.00 39.64 40.73 1rin n ILE 52 CO 0.00 0.00 0.00 -1.66 -2.50 0.00 0.00 176.55 172.39 1rin s TRP 53 N -3.38 -0.52 -0.18 9.51 1.48 -1.26 -0.81 118.94 123.77 1rin s TRP 53 Ca -0.03 0.53 0.01 0.00 -1.06 0.00 0.00 56.10 55.55 1rin s TRP 53 Cb 0.14 0.51 0.02 0.00 -1.16 0.00 0.00 33.47 32.97 1rin s TRP 53 CO 0.87 -0.69 -0.19 0.34 -4.06 0.00 0.00 176.95 173.22 1rin s ASP 54 N -2.17 3.24 0.34 -2.66 2.15 -0.56 -4.99 116.67 112.02 1rin s ASP 54 Ca -0.02 -0.62 0.08 0.00 0.43 0.00 0.00 52.55 52.42 1rin s ASP 54 Cb -0.01 -1.50 0.61 0.00 -0.30 0.00 0.00 42.92 41.72 1rin s ASP 54 CO -0.05 0.00 1.81 -0.09 -0.17 0.00 0.00 175.17 176.67 1rin h ARG 55 N 7.91 0.24 -0.06 4.34 2.43 -1.93 0.51 114.38 127.82 1rin h ARG 55 Ca -0.45 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 58.61 1rin h ARG 55 Cb 1.15 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1rin h ARG 55 CO 0.63 0.50 -0.08 1.49 -1.51 0.00 0.00 179.97 181.00 1rin h GLU 56 N 0.22 0.16 0.00 0.20 4.81 -1.97 -3.28 114.58 114.71 1rin h GLU 56 Ca 0.03 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 59.10 1rin h GLU 56 Cb 0.60 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1rin h GLU 56 CO 0.04 0.63 -0.85 1.79 -0.73 0.00 0.00 179.01 179.89 1rin h THR 57 N -0.30 0.36 0.00 0.32 1.35 -1.98 -3.47 112.91 109.19 1rin h THR 57 Ca 0.01 -1.60 0.00 0.00 -0.55 0.00 0.00 66.41 64.27 1rin h THR 57 Cb 0.61 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 1rin h THR 57 CO 0.02 0.20 0.00 0.61 -0.25 0.00 0.00 175.52 176.10 1rin n GLY 58 N 1.24 0.82 3.79 5.82 0.00 0.18 -5.05 105.19 112.00 1rin n GLY 58 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1rin n GLY 58 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rin s ASN 59 N -2.81 5.54 0.06 1.61 0.01 -1.20 -4.80 114.94 113.35 1rin s ASN 59 Ca 0.00 1.85 0.06 0.00 -0.71 0.00 0.00 52.86 54.06 1rin s ASN 59 Cb 0.00 -2.53 -0.03 0.00 0.41 0.00 0.00 41.25 39.10 1rin s ASN 59 CO 0.00 -1.34 -0.17 -0.69 -1.51 0.00 0.00 177.10 173.40 1rin s VAL 60 N -2.47 1.34 0.31 1.60 1.01 -1.26 -1.49 120.40 119.43 1rin s VAL 60 Ca 0.64 -1.25 -0.27 0.00 0.00 0.00 0.00 61.98 61.10 1rin s VAL 60 Cb -0.17 -1.23 -0.09 0.00 0.00 0.00 0.00 36.38 34.89 1rin s VAL 60 CO 0.40 -0.05 1.00 0.00 0.00 0.00 0.00 175.10 176.45 1rin s ALA 61 N -1.04 3.26 -0.05 5.51 0.00 0.01 -4.76 121.76 124.68 1rin s ALA 61 Ca 0.03 0.66 -0.21 0.00 0.00 0.00 0.00 51.96 52.43 1rin s ALA 61 Cb -0.09 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 1rin s ALA 61 CO 0.02 0.04 0.62 -0.80 0.00 0.00 0.00 175.76 175.65 1rin s ASN 62 N -1.35 6.93 0.06 0.00 0.01 -1.26 -4.31 114.94 115.02 1rin s ASN 62 Ca 0.48 1.11 -0.05 0.00 -0.71 0.00 0.00 52.86 53.70 1rin s ASN 62 Cb -0.24 -2.37 -0.02 0.00 0.41 0.00 0.00 41.25 39.03 1rin s ASN 62 CO 0.30 -0.02 0.07 0.72 -1.51 0.00 0.00 177.10 176.66 1rin s PHE 63 N 0.43 0.34 -0.10 2.20 -0.12 -1.00 -4.99 117.98 114.75 1rin s PHE 63 Ca 0.33 -0.81 -0.06 0.00 -0.05 0.00 0.00 56.93 56.33 1rin s PHE 63 Cb -0.17 -0.23 0.04 0.00 -0.63 0.00 0.00 43.02 42.02 1rin s PHE 63 CO 0.16 -0.45 0.24 0.54 -0.05 0.00 0.00 175.22 175.67 1rin s VAL 64 N -3.76 -0.02 0.03 -2.49 0.11 -1.26 -0.74 120.40 112.26 1rin s VAL 64 Ca 0.05 0.09 0.01 0.00 -2.93 0.00 0.00 61.98 59.20 1rin s VAL 64 Cb 0.06 -0.36 -0.02 0.00 -1.53 0.00 0.00 36.38 34.53 1rin s VAL 64 CO -0.10 0.03 -0.06 0.28 -3.33 0.00 0.00 175.10 171.93 1rin s THR 65 N 0.78 0.38 -0.05 5.04 -1.32 0.04 -5.00 115.64 115.52 1rin s THR 65 Ca -0.05 -0.82 -0.10 0.00 -1.21 0.00 0.00 61.69 59.51 1rin s THR 65 Cb -0.07 -0.44 0.02 0.00 -1.51 0.00 0.00 72.50 70.50 1rin s THR 65 CO -0.05 -0.30 0.24 -0.94 -2.21 0.00 0.00 174.62 171.37 1rin s SER 66 N -1.19 -0.17 0.06 8.08 1.04 -1.26 -0.55 113.70 119.71 1rin s SER 66 Ca -0.09 0.20 -0.17 0.00 0.48 0.00 0.00 55.95 56.38 1rin s SER 66 Cb -0.08 0.38 0.03 0.00 0.10 0.00 0.00 66.02 66.45 1rin s SER 66 CO -0.00 -0.27 0.38 0.72 0.98 0.00 0.00 173.24 175.05 1rin s PHE 67 N -0.70 -0.21 -0.17 5.02 -0.71 -0.89 -5.00 117.98 115.33 1rin s PHE 67 Ca -0.08 0.08 -0.02 0.00 -1.04 0.00 0.00 56.93 55.87 1rin s PHE 67 Cb -0.04 0.19 -0.01 0.00 -1.21 0.00 0.00 43.02 41.94 1rin s PHE 67 CO 0.02 -0.58 -0.08 0.99 -1.34 0.00 0.00 175.22 174.22 1rin s THR 68 N -2.80 3.32 0.16 -4.49 2.01 -1.26 -0.61 115.64 111.98 1rin s THR 68 Ca -0.03 -0.54 0.08 0.00 0.31 0.00 0.00 61.69 61.51 1rin s THR 68 Cb -0.00 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 1rin s THR 68 CO -0.05 0.48 -0.18 0.72 -0.69 0.00 0.00 174.62 174.91 1rin s PHE 69 N 0.74 1.80 -0.03 4.92 -0.71 -0.75 -4.95 117.98 119.01 1rin s PHE 69 Ca -0.04 -0.48 0.06 0.00 -1.04 0.00 0.00 56.93 55.44 1rin s PHE 69 Cb -0.15 -0.90 -0.01 0.00 -1.21 0.00 0.00 43.02 40.75 1rin s PHE 69 CO 0.02 0.32 -0.22 0.08 -1.34 0.00 0.00 175.22 174.09 1rin s VAL 70 N -2.09 1.72 -0.13 -2.49 1.01 -1.26 -1.37 120.40 115.80 1rin s VAL 70 Ca 0.16 -0.92 -0.00 0.00 0.00 0.00 0.00 61.98 61.22 1rin s VAL 70 Cb -0.05 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.87 1rin s VAL 70 CO 0.06 0.49 -0.13 -0.63 0.00 0.00 0.00 175.10 174.89 1rin s ILE 71 N -0.37 3.08 -0.44 2.22 1.01 -1.26 -5.02 121.20 120.42 1rin s ILE 71 Ca 0.05 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 60.06 1rin s ILE 71 Cb -0.10 -2.29 0.13 0.00 0.01 0.00 0.00 42.46 40.22 1rin s ILE 71 CO 0.00 0.53 0.23 0.21 0.00 0.00 0.00 174.94 175.91 1rin s ASN 72 N 0.29 3.78 -0.21 3.58 3.84 -1.26 -0.45 114.94 124.50 1rin s ASN 72 Ca -0.10 -2.63 -0.16 0.00 0.21 0.00 0.00 52.86 50.18 1rin s ASN 72 Cb -0.16 -1.12 -0.04 0.00 -0.55 0.00 0.00 41.25 39.39 1rin s ASN 72 CO 0.05 -0.27 0.42 0.00 -2.79 0.00 0.00 177.10 174.51 1rin s ALA 73 N 0.33 3.56 0.23 1.71 0.00 -1.26 -4.85 121.76 121.47 1rin s ALA 73 Ca 0.17 -0.54 -0.03 0.00 0.00 0.00 0.00 51.96 51.56 1rin s ALA 73 Cb -0.24 -2.68 0.23 0.00 0.00 0.00 0.00 23.12 20.42 1rin s ALA 73 CO -0.01 -0.38 1.65 -1.00 0.00 0.00 0.00 175.76 176.02 1rin h PRO 74 N 7.50 0.72 -4.49 0.00 0.13 -1.97 -3.33 132.00 130.56 1rin h PRO 74 Ca -0.35 -0.28 -0.72 0.00 -0.87 0.00 0.00 66.00 63.77 1rin h PRO 74 Cb 1.16 -0.04 -0.21 0.00 0.13 0.00 0.00 31.00 32.04 1rin h PRO 74 CO 0.71 0.88 -0.21 1.21 -0.23 0.00 0.00 178.00 180.36 1rin s ASN 75 N -6.76 6.17 0.50 1.44 3.84 -1.26 -4.97 114.94 113.90 1rin s ASN 75 Ca -0.09 -1.24 0.34 0.00 0.21 0.00 0.00 52.86 52.08 1rin s ASN 75 Cb 0.13 -2.22 1.72 0.00 -0.55 0.00 0.00 41.25 40.33 1rin s ASN 75 CO 0.83 -0.74 2.02 0.77 -2.79 0.00 0.00 177.10 177.19 1rin h SER 76 N 8.84 0.00 0.00 -4.21 4.64 -2.01 -2.26 113.55 118.54 1rin h SER 76 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1rin h SER 76 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1rin h SER 76 CO 0.92 0.00 -1.48 -1.22 -0.87 0.00 0.00 176.83 174.18 1rin n TYR 77 N -2.74 0.00 -3.47 4.77 4.02 -1.26 -4.69 117.16 113.79 1rin n TYR 77 Ca -0.01 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.46 1rin n TYR 77 Cb 0.12 -0.27 -0.03 0.00 -0.02 0.00 0.00 39.34 39.13 1rin n TYR 77 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1rin s ASN 78 N -3.52 6.64 -0.12 7.72 0.01 -0.85 -5.04 114.94 119.79 1rin s ASN 78 Ca -0.03 -3.49 -0.00 0.00 -0.71 0.00 0.00 52.86 48.64 1rin s ASN 78 Cb 0.11 -2.08 -0.02 0.00 0.41 0.00 0.00 41.25 39.67 1rin s ASN 78 CO 0.68 -0.29 -0.11 -0.69 -1.51 0.00 0.00 177.10 175.18 1rin s VAL 79 N -1.05 3.27 0.07 1.60 1.01 -1.26 -4.72 120.40 119.32 1rin s VAL 79 Ca 0.27 -0.60 -0.24 0.00 0.00 0.00 0.00 61.98 61.42 1rin s VAL 79 Cb -0.10 -2.37 0.06 0.00 0.00 0.00 0.00 36.38 33.97 1rin s VAL 79 CO -0.09 0.54 0.56 0.00 0.00 0.00 0.00 175.10 176.11 1rin s ALA 80 N 0.08 -1.46 -0.13 5.51 0.00 -1.26 -3.73 121.76 120.78 1rin s ALA 80 Ca -0.04 0.64 0.10 0.00 0.00 0.00 0.00 51.96 52.66 1rin s ALA 80 Cb -0.14 0.49 -0.14 0.00 0.00 0.00 0.00 23.12 23.33 1rin s ALA 80 CO 0.04 -0.57 0.02 -0.25 0.00 0.00 0.00 175.76 175.00 1rin n ASP 81 N 0.21 2.10 0.00 0.00 8.00 -1.26 -5.00 116.55 120.59 1rin n ASP 81 Ca -0.18 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.31 1rin n ASP 81 Cb 0.61 0.66 0.00 0.00 -0.02 0.00 0.00 41.12 42.37 1rin n ASP 81 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rin n GLY 82 N 2.32 0.33 3.10 0.44 0.00 -1.26 -1.91 105.19 108.21 1rin n GLY 82 Ca -0.21 -1.65 -0.12 0.00 0.00 0.00 0.00 46.02 44.04 1rin n GLY 82 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1rin s PHE 83 N -2.65 -0.12 0.01 1.61 2.19 -0.83 -5.00 117.98 113.19 1rin s PHE 83 Ca 0.00 0.27 -0.00 0.00 0.33 0.00 0.00 56.93 57.53 1rin s PHE 83 Cb 0.00 0.03 -0.01 0.00 -1.31 0.00 0.00 43.02 41.73 1rin s PHE 83 CO 0.00 -0.19 -0.00 0.95 1.83 0.00 0.00 175.22 177.81 1rin s THR 84 N -0.52 0.05 -0.11 0.12 -4.23 -1.26 -0.73 115.64 108.96 1rin s THR 84 Ca -0.06 -0.41 -0.17 0.00 -1.18 0.00 0.00 61.69 59.86 1rin s THR 84 Cb -0.04 -0.14 -0.04 0.00 1.34 0.00 0.00 72.50 73.62 1rin s THR 84 CO 0.01 -0.23 0.45 0.12 -0.54 0.00 0.00 174.62 174.43 1rin s PHE 85 N -0.67 3.53 0.18 3.99 5.36 -0.87 -4.94 117.98 124.56 1rin s PHE 85 Ca -0.07 0.87 0.04 0.00 -0.96 0.00 0.00 56.93 56.81 1rin s PHE 85 Cb -0.05 -2.51 -0.05 0.00 -0.34 0.00 0.00 43.02 40.08 1rin s PHE 85 CO -0.00 0.21 -0.07 -0.59 -1.46 0.00 0.00 175.22 173.31 1rin s PHE 86 N 0.46 1.42 -0.11 10.12 -0.12 -1.26 -0.98 117.98 127.50 1rin s PHE 86 Ca 0.25 -0.80 0.00 0.00 -0.05 0.00 0.00 56.93 56.33 1rin s PHE 86 Cb -0.15 -0.76 0.02 0.00 -0.63 0.00 0.00 43.02 41.51 1rin s PHE 86 CO 0.10 0.06 -0.10 0.42 -0.05 0.00 0.00 175.22 175.65 1rin s ILE 87 N -3.33 1.19 0.29 -4.49 1.01 0.15 -5.00 121.20 111.02 1rin s ILE 87 Ca 0.22 -0.41 -0.03 0.00 0.00 0.00 0.00 60.65 60.42 1rin s ILE 87 Cb 0.03 -1.15 -0.01 0.00 0.01 0.00 0.00 42.46 41.34 1rin s ILE 87 CO 0.04 0.39 0.39 0.00 0.00 0.00 0.00 174.94 175.76 1rin s ALA 88 N 1.46 0.74 0.92 9.38 0.00 -1.26 -1.44 121.76 131.56 1rin s ALA 88 Ca 0.01 -1.47 -0.11 0.00 0.00 0.00 0.00 51.96 50.40 1rin s ALA 88 Cb -0.13 1.22 0.13 0.00 0.00 0.00 0.00 23.12 24.33 1rin s ALA 88 CO -0.06 -0.75 1.01 -2.30 0.00 0.00 0.00 175.76 173.65 1rin n PRO 89 N -0.47 -0.42 0.10 0.00 -0.02 -1.26 -4.88 135.00 128.06 1rin n PRO 89 Ca 0.01 -0.06 0.12 0.00 -2.02 0.00 0.00 63.50 61.56 1rin n PRO 89 Cb 0.63 -2.28 0.61 0.00 -0.02 0.00 0.00 33.50 32.44 1rin n PRO 89 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1rin h VAL 90 N -1.81 0.91 -0.33 -1.45 -1.51 -2.00 -2.21 116.25 107.84 1rin h VAL 90 Ca -0.43 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 1rin h VAL 90 Cb 1.27 0.78 0.00 0.00 -2.13 0.00 0.00 31.29 31.21 1rin h VAL 90 CO 0.40 0.02 0.00 -0.90 -1.23 0.00 0.00 177.57 175.86 1rin n ASP 91 N -4.47 2.91 -4.66 4.19 5.75 -1.26 -4.97 116.55 114.04 1rin n ASP 91 Ca 0.04 -2.30 -0.46 0.00 -0.01 0.00 0.00 54.79 52.06 1rin n ASP 91 Cb 0.30 -0.47 -0.04 0.00 -1.03 0.00 0.00 41.12 39.88 1rin n ASP 91 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1rin n THR 92 N 0.43 0.25 -4.45 2.12 5.66 -0.83 -5.01 114.28 112.45 1rin n THR 92 Ca 0.14 -0.06 -0.22 0.00 -3.05 0.00 0.00 64.05 60.85 1rin n THR 92 Cb 0.58 -1.46 -0.10 0.00 -1.55 0.00 0.00 70.33 67.80 1rin n THR 92 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1rin s LYS 93 N 0.53 1.60 0.12 1.09 1.02 -1.26 -5.09 119.74 117.75 1rin s LYS 93 Ca 0.76 -1.78 -0.34 0.00 0.02 0.00 0.00 55.97 54.64 1rin s LYS 93 Cb -0.69 -1.42 -0.14 0.00 -0.52 0.00 0.00 37.83 35.06 1rin s LYS 93 CO 0.42 0.16 1.61 -2.30 -0.92 0.00 0.00 175.35 174.31 1rin n PRO 94 N -0.60 2.11 0.00 -1.68 -0.02 -1.26 -4.96 135.00 128.59 1rin n PRO 94 Ca -0.06 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1rin n PRO 94 Cb 0.62 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 1rin n PRO 94 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1rin n GLN 95 N 3.79 2.55 -1.94 -0.52 1.13 0.12 -5.01 117.38 117.50 1rin n GLN 95 Ca 0.18 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.82 1rin n GLN 95 Cb 0.28 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.62 1rin n GLN 95 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1rin s THR 96 N 1.49 2.44 0.00 5.09 2.01 -1.02 -4.52 115.64 121.13 1rin s THR 96 Ca 0.00 0.39 0.00 0.00 0.31 0.00 0.00 61.69 62.39 1rin s THR 96 Cb 0.00 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.26 1rin s THR 96 CO 0.00 0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.61 1rin n GLY 97 N 1.82 0.01 7.00 4.40 0.00 -1.26 -1.43 105.19 115.73 1rin n GLY 97 Ca 0.06 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1rin n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rin n GLY 98 N 4.53 2.91 0.03 -0.02 0.00 -1.26 -0.98 105.19 110.41 1rin n GLY 98 Ca 0.00 0.08 0.04 0.00 0.00 0.00 0.00 46.02 46.15 1rin n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rin n GLY 99 N 0.00 -0.76 0.39 -0.02 0.00 -1.26 -1.74 105.19 101.81 1rin n GLY 99 Ca 0.00 0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.16 1rin n GLY 99 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1rin n TYR 100 N -1.64 0.08 -1.84 1.61 4.01 -0.15 -4.95 117.16 114.28 1rin n TYR 100 Ca 0.01 -0.04 -0.14 0.00 -0.16 0.00 0.00 57.90 57.58 1rin n TYR 100 Cb 0.08 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.07 1rin n TYR 100 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1rin n LEU 101 N -0.02 -1.13 0.00 7.72 4.77 -0.71 -1.99 117.00 125.63 1rin n LEU 101 Ca 0.18 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1rin n LEU 101 Cb 0.28 -2.16 0.00 0.00 -2.33 0.00 0.00 43.42 39.21 1rin n LEU 101 CO 0.15 -0.48 0.00 0.61 -1.33 0.00 0.00 177.39 176.34 1rin n GLY 102 N -0.50 0.33 0.00 -0.72 0.00 -0.51 -4.82 105.19 98.95 1rin n GLY 102 Ca -0.15 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.88 1rin n GLY 102 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1rin n VAL 103 N -2.17 0.00 -4.47 1.61 0.24 -0.84 -0.70 118.33 112.00 1rin n VAL 103 Ca 0.00 -0.12 -0.25 0.00 -2.04 0.00 0.00 64.34 61.93 1rin n VAL 103 Cb 0.12 0.59 -0.08 0.00 -1.47 0.00 0.00 33.84 33.00 1rin n VAL 103 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1rin s PHE 104 N -1.87 1.77 0.00 6.34 0.08 -1.01 -4.83 117.98 118.46 1rin s PHE 104 Ca -0.00 -1.39 0.00 0.00 0.12 0.00 0.00 56.93 55.66 1rin s PHE 104 Cb 0.01 -1.05 0.00 0.00 -0.57 0.00 0.00 43.02 41.40 1rin s PHE 104 CO 0.05 -0.44 0.00 0.09 -0.10 0.00 0.00 175.22 174.82 1rin n ASN 105 N -1.40 1.22 -3.97 1.36 3.02 -1.26 -2.43 115.26 111.80 1rin n ASN 105 Ca -0.03 -0.12 -0.09 0.00 -0.03 0.00 0.00 54.58 54.31 1rin n ASN 105 Cb 0.64 0.49 -0.10 0.00 -0.61 0.00 0.00 39.78 40.21 1rin n ASN 105 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1rin s SER 106 N -0.74 0.26 -0.11 6.41 1.04 -1.26 -5.00 113.70 114.30 1rin s SER 106 Ca 0.00 -0.65 0.18 0.00 0.48 0.00 0.00 55.95 55.96 1rin s SER 106 Cb 0.00 0.21 0.72 0.00 0.10 0.00 0.00 66.02 67.05 1rin s SER 106 CO 0.00 -0.52 1.62 0.00 0.98 0.00 0.00 173.24 175.32 1rin n ALA 107 N 0.66 3.12 -2.56 5.32 0.00 -1.26 -1.01 120.51 124.78 1rin n ALA 107 Ca -0.18 -1.56 -0.30 0.00 0.00 0.00 0.00 53.44 51.40 1rin n ALA 107 Cb 0.59 -1.03 -0.10 0.00 0.00 0.00 0.00 19.45 18.90 1rin n ALA 107 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1rin s GLU 108 N -1.87 2.11 -0.00 0.00 0.41 -1.26 -4.51 118.70 113.58 1rin s GLU 108 Ca 0.50 -1.02 -0.30 0.00 -0.41 0.00 0.00 54.97 53.75 1rin s GLU 108 Cb 0.33 -2.29 -0.07 0.00 -1.78 0.00 0.00 34.13 30.32 1rin s GLU 108 CO 0.24 0.51 1.69 -0.47 -0.49 0.00 0.00 175.26 176.75 1rin s TYR 109 N -1.17 2.04 -0.36 1.61 6.14 -1.26 -4.46 117.35 119.89 1rin s TYR 109 Ca 0.20 0.15 0.02 0.00 0.64 0.00 0.00 57.07 58.08 1rin s TYR 109 Cb -0.11 -3.97 0.10 0.00 0.42 0.00 0.00 41.96 38.40 1rin s TYR 109 CO 0.12 -4.07 0.10 0.34 0.64 0.00 0.00 175.55 172.68 1rin s ASP 110 N 3.17 4.91 0.60 4.32 -1.08 0.31 -4.98 116.67 123.92 1rin s ASP 110 Ca 0.75 -2.12 0.29 0.00 -0.52 0.00 0.00 52.55 50.95 1rin s ASP 110 Cb -0.37 -1.69 1.58 0.00 -1.46 0.00 0.00 42.92 40.99 1rin s ASP 110 CO 0.32 -0.43 2.00 0.11 0.52 0.00 0.00 175.17 177.69 1rin h LYS 111 N 7.74 0.00 0.00 4.34 1.57 -1.94 -2.14 116.57 126.13 1rin h LYS 111 Ca -0.07 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 1rin h LYS 111 Cb 1.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 1rin h LYS 111 CO 0.57 0.00 -0.17 1.15 -0.57 0.00 0.00 179.45 180.43 1rin h THR 112 N 0.00 0.54 -0.11 -0.16 2.02 -1.96 -3.24 112.91 110.01 1rin h THR 112 Ca 0.13 -0.84 -0.19 0.00 0.77 0.00 0.00 66.41 66.29 1rin h THR 112 Cb 0.80 1.56 -0.00 0.00 -1.74 0.00 0.00 68.15 68.77 1rin h THR 112 CO -0.00 0.17 -0.71 0.74 0.37 0.00 0.00 175.52 176.09 1rin h THR 113 N 0.00 1.35 -6.53 3.16 2.02 -1.75 -3.47 112.91 107.70 1rin h THR 113 Ca -0.00 -2.06 -0.51 0.00 0.77 0.00 0.00 66.41 64.61 1rin h THR 113 Cb 0.55 2.04 -0.11 0.00 -1.74 0.00 0.00 68.15 68.89 1rin h THR 113 CO 0.02 0.63 -0.83 -0.62 0.37 0.00 0.00 175.52 175.09 1rin n GLU 114 N -3.87 -3.90 -4.45 6.66 1.02 -1.22 -4.67 120.64 110.21 1rin n GLU 114 Ca -0.05 0.45 -0.26 0.00 -0.02 0.00 0.00 57.16 57.28 1rin n GLU 114 Cb 0.70 -5.04 -0.17 0.00 -0.02 0.00 0.00 31.44 26.91 1rin n GLU 114 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1rin s THR 115 N -3.50 1.27 -0.10 2.62 2.01 -1.26 -4.00 115.64 112.67 1rin s THR 115 Ca 0.47 -0.52 -0.03 0.00 0.31 0.00 0.00 61.69 61.93 1rin s THR 115 Cb -0.25 -1.17 -0.03 0.00 0.01 0.00 0.00 72.50 71.05 1rin s THR 115 CO 0.89 0.39 0.01 -0.69 -0.69 0.00 0.00 174.62 174.53 1rin s VAL 116 N 0.93 4.42 0.04 3.82 1.01 -0.52 -0.87 120.40 129.23 1rin s VAL 116 Ca -0.09 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.70 1rin s VAL 116 Cb -0.15 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 1rin s VAL 116 CO 0.00 0.59 -0.05 0.00 0.00 0.00 0.00 175.10 175.64 1rin s ALA 117 N -0.70 0.40 -0.23 5.51 0.00 0.13 -0.67 121.76 126.21 1rin s ALA 117 Ca 0.11 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.30 1rin s ALA 117 Cb -0.12 0.12 0.04 0.00 0.00 0.00 0.00 23.12 23.17 1rin s ALA 117 CO 0.02 -0.14 -0.14 0.08 0.00 0.00 0.00 175.76 175.59 1rin s VAL 118 N -1.88 2.24 -0.02 0.00 1.01 -0.15 -1.46 120.40 120.15 1rin s VAL 118 Ca -0.09 -1.27 -0.05 0.00 0.00 0.00 0.00 61.98 60.57 1rin s VAL 118 Cb -0.07 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1rin s VAL 118 CO -0.02 0.22 0.21 -1.83 0.00 0.00 0.00 175.10 173.69 1rin s GLU 119 N 1.21 3.49 -0.60 2.72 -1.05 -0.18 -2.05 118.70 122.24 1rin s GLU 119 Ca -0.02 -0.20 0.03 0.00 -0.15 0.00 0.00 54.97 54.62 1rin s GLU 119 Cb -0.17 -3.10 0.15 0.00 -0.44 0.00 0.00 34.13 30.57 1rin s GLU 119 CO -0.08 0.68 0.37 -0.06 0.95 0.00 0.00 175.26 177.12 1rin s PHE 120 N -1.28 3.33 -0.27 4.83 0.08 0.09 -0.98 117.98 123.80 1rin s PHE 120 Ca 0.26 -3.12 -0.23 0.00 0.12 0.00 0.00 56.93 53.96 1rin s PHE 120 Cb -0.13 -2.89 -0.01 0.00 -0.57 0.00 0.00 43.02 39.42 1rin s PHE 120 CO 0.16 -0.72 0.76 0.34 -0.10 0.00 0.00 175.22 175.65 1rin s ASP 121 N -0.34 6.70 0.00 1.36 -1.08 0.10 -1.95 116.67 121.45 1rin s ASP 121 Ca 0.19 0.81 0.18 0.00 -0.52 0.00 0.00 52.55 53.21 1rin s ASP 121 Cb -0.20 -2.40 0.21 0.00 -1.46 0.00 0.00 42.92 39.08 1rin s ASP 121 CO -0.04 -0.51 1.15 0.35 0.52 0.00 0.00 175.17 176.64 1rin n THR 122 N 5.34 0.18 -4.05 1.71 -2.24 -0.80 -1.31 114.28 113.11 1rin n THR 122 Ca 0.03 -0.59 -0.18 0.00 -2.27 0.00 0.00 64.05 61.04 1rin n THR 122 Cb 0.48 1.22 -0.16 0.00 -2.10 0.00 0.00 70.33 69.78 1rin n THR 122 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1rin s PHE 123 N -1.45 0.48 -0.29 4.78 5.36 -1.24 -4.46 117.98 121.16 1rin s PHE 123 Ca 0.25 -0.08 -0.29 0.00 -0.96 0.00 0.00 56.93 55.85 1rin s PHE 123 Cb 0.16 -0.46 0.01 0.00 -0.34 0.00 0.00 43.02 42.39 1rin s PHE 123 CO 0.24 -0.12 1.13 -0.47 -1.46 0.00 0.00 175.22 174.53 1rin s TYR 124 N 0.76 3.07 -0.37 10.12 5.04 -1.26 -4.98 117.35 129.71 1rin s TYR 124 Ca -0.09 1.16 -0.04 0.00 -2.44 0.00 0.00 57.07 55.67 1rin s TYR 124 Cb -0.12 -3.65 0.08 0.00 0.35 0.00 0.00 41.96 38.63 1rin s TYR 124 CO -0.01 -0.98 0.15 -0.80 -1.34 0.00 0.00 175.55 172.57 1rin s ASN 125 N 1.81 5.21 0.34 4.32 -0.87 -1.26 -4.98 114.94 119.51 1rin s ASN 125 Ca 0.48 -1.68 0.13 0.00 -1.57 0.00 0.00 52.86 50.23 1rin s ASN 125 Cb -0.14 -1.82 1.04 0.00 -0.02 0.00 0.00 41.25 40.31 1rin s ASN 125 CO 0.15 -0.45 1.67 0.00 -2.57 0.00 0.00 177.10 175.91 1rin h ALA 126 N 8.09 1.91 0.00 0.60 0.00 -1.94 0.29 119.26 128.22 1rin h ALA 126 Ca -0.17 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1rin h ALA 126 Cb 1.06 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1rin h ALA 126 CO 0.65 -0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.39 1rin h ALA 127 N 1.83 1.00 0.00 0.00 0.00 -2.03 -3.38 119.26 116.68 1rin h ALA 127 Ca 0.71 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.62 1rin h ALA 127 Cb 1.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1rin h ALA 127 CO -0.58 0.00 0.00 -2.67 0.00 0.00 0.00 179.25 176.00 1rin n TRP 128 N -2.67 0.00 -1.76 0.00 2.14 -0.84 -5.06 117.44 109.26 1rin n TRP 128 Ca -0.02 0.00 -0.31 0.00 2.07 0.00 0.00 57.50 59.23 1rin n TRP 128 Cb 0.06 0.00 0.03 0.00 -0.81 0.00 0.00 31.31 30.59 1rin n TRP 128 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1rin s ASP 129 N -0.08 5.61 -0.21 -0.67 1.01 0.03 -4.73 116.67 117.63 1rin s ASP 129 Ca 0.00 1.65 -0.39 0.00 0.71 0.00 0.00 52.55 54.53 1rin s ASP 129 Cb 0.00 -2.50 -0.15 0.00 1.01 0.00 0.00 42.92 41.28 1rin s ASP 129 CO 0.00 -1.29 1.74 -2.65 0.21 0.00 0.00 175.17 173.18 1rin n PRO 130 N -2.74 1.35 0.06 8.23 -0.02 -1.26 -4.81 135.00 135.81 1rin n PRO 130 Ca 0.08 0.49 0.20 0.00 -2.02 0.00 0.00 63.50 62.25 1rin n PRO 130 Cb 0.53 -2.21 0.57 0.00 -0.02 0.00 0.00 33.50 32.38 1rin n PRO 130 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1rin h SER 131 N 7.38 0.00 0.00 2.55 4.64 -1.95 0.52 113.55 126.69 1rin h SER 131 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1rin h SER 131 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1rin h SER 131 CO 0.95 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.45 1rin n ASN 132 N -3.28 0.00 0.00 4.97 0.23 -1.26 -4.87 115.26 111.05 1rin n ASN 132 Ca 0.10 -0.70 0.00 0.00 -0.53 0.00 0.00 54.58 53.45 1rin n ASN 132 Cb 0.92 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.62 1rin n ASN 132 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1rin n ARG 133 N -0.97 -1.32 -2.67 -3.83 1.74 0.17 -4.95 116.66 104.84 1rin n ARG 133 Ca 0.15 0.31 -0.35 0.00 -0.77 0.00 0.00 57.85 57.19 1rin n ARG 133 Cb 0.07 -4.65 -0.05 0.00 -1.02 0.00 0.00 32.46 26.81 1rin n ARG 133 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1rin s ASP 134 N -1.87 6.82 0.41 0.55 1.01 -1.26 -4.78 116.67 117.54 1rin s ASP 134 Ca 0.00 1.87 -0.27 0.00 0.71 0.00 0.00 52.55 54.86 1rin s ASP 134 Cb 0.00 -2.56 -0.10 0.00 1.01 0.00 0.00 42.92 41.27 1rin s ASP 134 CO 0.00 -0.44 1.46 0.54 0.21 0.00 0.00 175.17 176.93 1rin n ARG 135 N -0.36 2.47 -3.79 8.23 1.74 -1.26 -4.85 116.66 118.84 1rin n ARG 135 Ca 0.06 0.87 -0.10 0.00 -0.77 0.00 0.00 57.85 57.92 1rin n ARG 135 Cb 0.52 -2.64 -0.06 0.00 -1.02 0.00 0.00 32.46 29.26 1rin n ARG 135 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 1rin s HIS 136 N -1.15 0.06 -0.01 -1.55 -3.43 -0.43 -0.97 115.29 107.80 1rin s HIS 136 Ca 0.57 -0.43 -0.14 0.00 -0.80 0.00 0.00 55.06 54.26 1rin s HIS 136 Cb -0.47 0.10 -0.05 0.00 -1.43 0.00 0.00 32.58 30.72 1rin s HIS 136 CO 0.61 -0.67 0.38 0.42 -2.00 0.00 0.00 174.74 173.47 1rin s ILE 137 N -3.87 5.09 0.06 -5.38 1.01 -0.51 0.01 121.20 117.61 1rin s ILE 137 Ca 0.07 0.76 -0.16 0.00 0.00 0.00 0.00 60.65 61.32 1rin s ILE 137 Cb 0.03 -3.67 0.03 0.00 0.01 0.00 0.00 42.46 38.85 1rin s ILE 137 CO -0.08 0.58 0.36 -0.83 0.00 0.00 0.00 174.94 174.97 1rin s GLY 138 N -1.09 -0.20 -0.35 6.18 0.00 -0.15 -1.33 107.32 110.38 1rin s GLY 138 Ca 0.23 0.08 -0.08 0.00 0.00 0.00 0.00 44.72 44.95 1rin s GLY 138 CO 0.12 -0.16 0.13 -0.42 0.00 0.00 0.00 173.10 172.78 1rin s ILE 139 N -2.82 4.00 -0.15 0.90 1.01 -0.74 -1.01 121.20 122.39 1rin s ILE 139 Ca -0.03 -1.05 -0.06 0.00 0.00 0.00 0.00 60.65 59.51 1rin s ILE 139 Cb 0.00 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 1rin s ILE 139 CO -0.05 -0.19 0.05 -1.81 0.00 0.00 0.00 174.94 172.94 1rin s ASP 140 N 1.44 5.61 -0.35 3.58 1.01 -0.54 -0.38 116.67 127.05 1rin s ASP 140 Ca -0.01 0.15 0.00 0.00 0.71 0.00 0.00 52.55 53.41 1rin s ASP 140 Cb -0.19 -1.85 0.11 0.00 1.01 0.00 0.00 42.92 42.00 1rin s ASP 140 CO 0.04 0.26 0.14 -0.69 0.21 0.00 0.00 175.17 175.13 1rin s VAL 141 N -0.18 1.09 -1.99 -1.27 1.01 -1.26 -0.69 120.40 117.10 1rin s VAL 141 Ca 0.07 -1.81 0.00 0.00 0.00 0.00 0.00 61.98 60.24 1rin s VAL 141 Cb -0.12 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.46 1rin s VAL 141 CO 0.01 -0.75 0.00 0.59 0.00 0.00 0.00 175.10 174.96 1rin n ASN 142 N 4.40 -5.34 -3.57 3.32 5.03 -0.05 -4.78 115.26 114.27 1rin n ASN 142 Ca 0.02 0.36 -0.15 0.00 0.87 0.00 0.00 54.58 55.68 1rin n ASN 142 Cb 0.40 -4.66 -0.06 0.00 -1.02 0.00 0.00 39.78 34.43 1rin n ASN 142 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1rin s SER 143 N -2.51 -0.64 0.06 6.41 0.15 -1.26 -0.53 113.70 115.39 1rin s SER 143 Ca 0.00 0.91 0.27 0.00 0.70 0.00 0.00 55.95 57.83 1rin s SER 143 Cb 0.00 0.81 0.89 0.00 -1.71 0.00 0.00 66.02 66.01 1rin s SER 143 CO 0.00 -0.44 1.72 0.00 1.20 0.00 0.00 173.24 175.72 1rin n ILE 144 N 1.50 0.18 -2.65 6.45 0.13 -0.18 -4.56 119.36 120.25 1rin n ILE 144 Ca -0.16 -0.10 -0.42 0.00 -1.10 0.00 0.00 62.75 60.96 1rin n ILE 144 Cb 0.56 -0.33 -0.03 0.00 -0.84 0.00 0.00 39.64 39.01 1rin n ILE 144 CO 0.00 0.00 0.00 -0.75 2.80 0.00 0.00 176.55 178.60 1rin s LYS 145 N -3.04 3.48 0.65 9.51 2.20 -1.26 -4.91 119.74 126.36 1rin s LYS 145 Ca 0.12 0.15 -0.17 0.00 -0.36 0.00 0.00 55.97 55.70 1rin s LYS 145 Cb 0.16 -4.02 -0.01 0.00 -1.51 0.00 0.00 37.83 32.46 1rin s LYS 145 CO 0.60 -1.61 1.21 -1.12 -0.36 0.00 0.00 175.35 174.07 1rin s SER 146 N 2.89 4.80 0.23 1.43 0.01 -1.26 -4.78 113.70 117.02 1rin s SER 146 Ca 0.40 2.39 0.11 0.00 1.31 0.00 0.00 55.95 60.16 1rin s SER 146 Cb -0.09 -2.60 0.14 0.00 0.21 0.00 0.00 66.02 63.69 1rin s SER 146 CO 0.24 -1.86 1.48 -0.37 0.41 0.00 0.00 173.24 173.14 1rin h VAL 147 N 0.43 1.36 -2.64 3.43 -1.51 -1.09 -3.45 116.25 112.77 1rin h VAL 147 Ca -0.49 -2.54 -0.10 0.00 -1.23 0.00 0.00 66.70 62.33 1rin h VAL 147 Cb 1.30 2.43 -0.22 0.00 -2.13 0.00 0.00 31.29 32.67 1rin h VAL 147 CO 0.53 0.69 -0.14 0.21 -1.23 0.00 0.00 177.57 177.63 1rin s ASN 148 N -6.66 -0.42 0.24 4.19 3.84 -1.25 -5.01 114.94 109.87 1rin s ASN 148 Ca 0.01 0.62 0.01 0.00 0.21 0.00 0.00 52.86 53.70 1rin s ASN 148 Cb 0.11 0.67 -0.04 0.00 -0.55 0.00 0.00 41.25 41.43 1rin s ASN 148 CO 0.77 -0.33 0.13 0.42 -2.79 0.00 0.00 177.10 175.30 1rin s THR 149 N -0.52 0.23 -0.09 -5.21 -4.23 -1.26 -1.79 115.64 102.78 1rin s THR 149 Ca -0.06 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.40 1rin s THR 149 Cb -0.03 -2.55 0.04 0.00 1.34 0.00 0.00 72.50 71.30 1rin s THR 149 CO 0.03 0.00 0.21 -0.75 -0.54 0.00 0.00 174.62 173.57 1rin s LYS 150 N -4.03 0.17 0.39 3.99 2.47 -0.44 -4.98 119.74 117.31 1rin s LYS 150 Ca 0.38 0.43 -0.26 0.00 -1.56 0.00 0.00 55.97 54.96 1rin s LYS 150 Cb 0.07 -0.10 -0.09 0.00 -1.46 0.00 0.00 37.83 36.25 1rin s LYS 150 CO 0.14 -0.14 1.24 -1.12 0.16 0.00 0.00 175.35 175.63 1rin s SER 151 N 1.02 6.51 -0.02 1.43 0.01 -1.26 -1.43 113.70 119.97 1rin s SER 151 Ca -0.08 2.52 0.01 0.00 1.31 0.00 0.00 55.95 59.71 1rin s SER 151 Cb -0.09 -2.63 0.02 0.00 0.21 0.00 0.00 66.02 63.53 1rin s SER 151 CO -0.06 -0.70 -0.01 0.86 0.41 0.00 0.00 173.24 173.74 1rin s TRP 152 N -1.29 0.29 -0.38 2.43 -0.00 -0.15 -4.81 118.94 115.02 1rin s TRP 152 Ca 0.55 -0.01 -0.19 0.00 -0.00 0.00 0.00 56.10 56.45 1rin s TRP 152 Cb -0.35 -0.32 0.01 0.00 -0.00 0.00 0.00 33.47 32.80 1rin s TRP 152 CO 0.45 -0.09 0.56 0.21 -0.00 0.00 0.00 176.95 178.08 1rin s LYS 153 N 0.67 3.48 0.28 5.86 2.20 -1.26 -4.36 119.74 126.61 1rin s LYS 153 Ca -0.07 -0.26 -0.30 0.00 -0.36 0.00 0.00 55.97 54.98 1rin s LYS 153 Cb -0.10 -3.86 -0.12 0.00 -1.51 0.00 0.00 37.83 32.24 1rin s LYS 153 CO -0.01 -0.78 1.63 -0.11 -0.36 0.00 0.00 175.35 175.73 1rin n LEU 154 N 5.91 4.34 -4.22 5.43 7.94 -1.26 -5.00 117.00 130.14 1rin n LEU 154 Ca -0.04 1.13 -0.37 0.00 -1.11 0.00 0.00 56.01 55.62 1rin n LEU 154 Cb 0.48 -1.60 -0.12 0.00 0.53 0.00 0.00 43.42 42.71 1rin n LEU 154 CO 0.48 0.19 -0.26 -1.10 -1.11 0.00 0.00 177.39 175.59 1rin s GLN 155 N -0.13 2.46 0.14 1.96 -0.21 -1.26 -5.06 119.66 117.55 1rin s GLN 155 Ca 0.66 -1.34 -0.31 0.00 0.02 0.00 0.00 55.36 54.39 1rin s GLN 155 Cb -0.49 -3.43 -0.10 0.00 1.00 0.00 0.00 33.01 29.99 1rin s GLN 155 CO 0.45 -0.75 1.71 1.21 -2.12 0.00 0.00 175.29 175.79 1rin s ASN 156 N 1.51 6.48 0.00 5.90 2.47 -1.26 -1.52 114.94 128.52 1rin s ASN 156 Ca -0.01 2.70 0.00 0.00 0.42 0.00 0.00 52.86 55.97 1rin s ASN 156 Cb -0.21 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.02 1rin s ASN 156 CO 0.00 -0.93 0.00 0.61 -3.72 0.00 0.00 177.10 173.06 1rin n GLY 157 N 4.02 1.65 3.84 1.21 0.00 0.40 -5.00 105.19 111.32 1rin n GLY 157 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1rin n GLY 157 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rin s GLU 158 N -0.09 3.95 -0.34 1.61 0.41 -0.58 -4.89 118.70 118.77 1rin s GLU 158 Ca 0.00 0.45 -0.29 0.00 -0.41 0.00 0.00 54.97 54.72 1rin s GLU 158 Cb 0.00 -3.01 -0.00 0.00 -1.78 0.00 0.00 34.13 29.34 1rin s GLU 158 CO 0.00 0.53 1.48 -1.21 -0.49 0.00 0.00 175.26 175.57 1rin s GLU 159 N -1.77 3.65 0.06 1.61 2.02 -1.26 -4.48 118.70 118.53 1rin s GLU 159 Ca 0.34 1.20 -0.20 0.00 0.02 0.00 0.00 54.97 56.34 1rin s GLU 159 Cb -0.15 -4.02 -0.06 0.00 0.10 0.00 0.00 34.13 29.99 1rin s GLU 159 CO 0.18 -1.47 0.59 0.00 0.02 0.00 0.00 175.26 174.58 1rin s ALA 160 N 5.38 3.56 -0.20 5.21 0.00 -0.47 -4.45 121.76 130.78 1rin s ALA 160 Ca 0.65 0.05 -0.02 0.00 0.00 0.00 0.00 51.96 52.64 1rin s ALA 160 Cb -0.18 -2.68 0.00 0.00 0.00 0.00 0.00 23.12 20.27 1rin s ALA 160 CO 0.30 0.35 -0.11 -0.80 0.00 0.00 0.00 175.76 175.50 1rin s ASN 161 N -0.92 3.83 0.04 0.00 0.01 -0.22 -1.80 114.94 115.87 1rin s ASN 161 Ca 0.30 -0.49 0.07 0.00 -0.71 0.00 0.00 52.86 52.02 1rin s ASN 161 Cb -0.19 -1.63 -0.03 0.00 0.41 0.00 0.00 41.25 39.80 1rin s ASN 161 CO 0.19 -0.01 -0.17 -0.69 -1.51 0.00 0.00 177.10 174.91 1rin s VAL 162 N 1.39 2.84 -0.04 1.60 1.01 0.22 -1.69 120.40 125.74 1rin s VAL 162 Ca 0.05 -1.15 0.03 0.00 0.00 0.00 0.00 61.98 60.91 1rin s VAL 162 Cb -0.14 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.05 1rin s VAL 162 CO -0.07 0.35 -0.11 -0.69 0.00 0.00 0.00 175.10 174.57 1rin s VAL 163 N -0.92 0.99 -0.01 2.92 1.01 -0.65 -2.09 120.40 121.64 1rin s VAL 163 Ca 0.15 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.71 1rin s VAL 163 Cb -0.11 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 1rin s VAL 163 CO 0.05 0.30 -0.15 -0.63 0.00 0.00 0.00 175.10 174.68 1rin s ILE 164 N 0.25 1.15 -0.04 2.22 1.01 0.28 -1.64 121.20 124.44 1rin s ILE 164 Ca -0.05 -0.63 -0.14 0.00 0.00 0.00 0.00 60.65 59.83 1rin s ILE 164 Cb -0.11 -0.96 0.02 0.00 0.01 0.00 0.00 42.46 41.43 1rin s ILE 164 CO 0.01 0.32 0.31 0.00 0.00 0.00 0.00 174.94 175.58 1rin s ALA 165 N -0.35 -0.79 -0.07 9.38 0.00 -0.74 -0.78 121.76 128.41 1rin s ALA 165 Ca 0.06 0.45 0.01 0.00 0.00 0.00 0.00 51.96 52.47 1rin s ALA 165 Cb -0.06 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.03 1rin s ALA 165 CO -0.01 -0.24 -0.08 0.12 0.00 0.00 0.00 175.76 175.56 1rin s PHE 166 N -1.00 1.21 -0.36 0.00 5.36 0.08 -1.53 117.98 121.73 1rin s PHE 166 Ca -0.11 -0.48 -0.17 0.00 -0.96 0.00 0.00 56.93 55.22 1rin s PHE 166 Cb -0.05 -0.99 -0.00 0.00 -0.34 0.00 0.00 43.02 41.64 1rin s PHE 166 CO 0.03 -0.33 0.43 1.21 -1.46 0.00 0.00 175.22 175.10 1rin s ASN 167 N 1.16 6.22 0.39 6.13 3.84 -0.81 -2.37 114.94 129.50 1rin s ASN 167 Ca -0.06 -0.27 0.07 0.00 0.21 0.00 0.00 52.86 52.80 1rin s ASN 167 Cb -0.14 -2.23 0.78 0.00 -0.55 0.00 0.00 41.25 39.11 1rin s ASN 167 CO -0.02 -0.44 1.98 0.00 -2.79 0.00 0.00 177.10 175.84 1rin h ALA 168 N 8.53 1.58 -0.17 1.71 0.00 -1.86 0.92 119.26 129.97 1rin h ALA 168 Ca -0.28 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.32 1rin h ALA 168 Cb 1.13 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1rin h ALA 168 CO 0.74 0.33 -0.69 0.00 0.00 0.00 0.00 179.25 179.63 1rin h ALA 169 N 1.66 0.45 0.00 0.00 0.00 -1.93 -3.34 119.26 116.09 1rin h ALA 169 Ca 0.12 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1rin h ALA 169 Cb 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1rin h ALA 169 CO -0.01 0.70 -1.25 0.25 0.00 0.00 0.00 179.25 178.94 1rin n THR 170 N -3.93 0.00 -1.84 0.00 -2.24 -1.17 -5.00 114.28 100.11 1rin n THR 170 Ca -0.06 -0.24 -0.14 0.00 -2.27 0.00 0.00 64.05 61.34 1rin n THR 170 Cb 0.70 0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 69.48 1rin n THR 170 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1rin n ASN 171 N -1.72 -4.47 -4.75 3.42 5.03 0.31 -5.00 115.26 108.08 1rin n ASN 171 Ca 0.00 0.16 -0.36 0.00 0.87 0.00 0.00 54.58 55.25 1rin n ASN 171 Cb 0.35 -3.41 -0.07 0.00 -1.02 0.00 0.00 39.78 35.62 1rin n ASN 171 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 1rin s VAL 172 N -2.60 5.32 -0.27 2.41 -7.23 -1.24 -4.89 120.40 111.89 1rin s VAL 172 Ca 0.00 0.50 -0.10 0.00 -1.81 0.00 0.00 61.98 60.57 1rin s VAL 172 Cb 0.00 -3.60 -0.05 0.00 0.56 0.00 0.00 36.38 33.29 1rin s VAL 172 CO 0.00 0.42 0.16 -0.22 -0.31 0.00 0.00 175.10 175.16 1rin s LEU 173 N 0.25 3.90 -0.16 1.32 2.96 -1.26 -1.92 118.68 123.77 1rin s LEU 173 Ca 0.16 -0.04 -0.04 0.00 -0.22 0.00 0.00 54.13 53.99 1rin s LEU 173 Cb -0.13 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.46 1rin s LEU 173 CO 0.04 -0.04 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.11 1rin s THR 174 N 1.68 3.92 -0.08 3.68 2.01 -0.58 -4.98 115.64 121.28 1rin s THR 174 Ca 0.07 -0.35 0.04 0.00 0.31 0.00 0.00 61.69 61.76 1rin s THR 174 Cb -0.16 -2.72 0.00 0.00 0.01 0.00 0.00 72.50 69.64 1rin s THR 174 CO 0.09 0.49 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.61 1rin s VAL 175 N 0.38 1.78 -0.01 3.82 1.01 -1.26 -1.80 120.40 124.31 1rin s VAL 175 Ca -0.04 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1rin s VAL 175 Cb -0.14 -1.55 0.01 0.00 0.00 0.00 0.00 36.38 34.70 1rin s VAL 175 CO 0.03 0.50 -0.03 -0.94 0.00 0.00 0.00 175.10 174.65 1rin s SER 176 N 0.35 0.53 0.03 3.32 1.04 -0.65 -5.02 113.70 113.31 1rin s SER 176 Ca -0.15 -0.07 0.08 0.00 0.48 0.00 0.00 55.95 56.28 1rin s SER 176 Cb -0.17 -0.13 -0.02 0.00 0.10 0.00 0.00 66.02 65.80 1rin s SER 176 CO 0.07 0.01 -0.23 -0.22 0.98 0.00 0.00 173.24 173.84 1rin s LEU 177 N 0.24 2.14 -0.02 2.42 0.20 -1.26 -1.64 118.68 120.76 1rin s LEU 177 Ca -0.02 -0.52 0.00 0.00 0.69 0.00 0.00 54.13 54.28 1rin s LEU 177 Cb -0.06 -1.13 0.02 0.00 -0.43 0.00 0.00 46.19 44.59 1rin s LEU 177 CO -0.00 0.22 0.01 -0.89 -0.29 0.00 0.00 176.35 175.40 1rin s THR 178 N -0.74 0.08 0.06 3.68 2.01 -0.68 -4.96 115.64 115.08 1rin s THR 178 Ca 0.09 0.11 0.03 0.00 0.31 0.00 0.00 61.69 62.23 1rin s THR 178 Cb -0.09 -0.17 -0.04 0.00 0.01 0.00 0.00 72.50 72.21 1rin s THR 178 CO 0.01 0.10 0.03 -0.31 -0.69 0.00 0.00 174.62 173.77 1rin s TYR 179 N 0.84 3.09 -2.00 4.92 2.02 -1.26 -1.05 117.35 123.91 1rin s TYR 179 Ca -0.08 0.05 0.09 0.00 -0.37 0.00 0.00 57.07 56.76 1rin s TYR 179 Cb -0.11 -1.61 0.53 0.00 -0.40 0.00 0.00 41.96 40.37 1rin s TYR 179 CO -0.02 0.49 0.98 -0.35 -1.57 0.00 0.00 175.55 175.08