#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 0.18 -0.01 -2.82 2.02 -1.26 -5.15 118.70 111.67 1rin s GLU 2 Ca 0.00 0.43 0.05 0.00 0.02 0.00 0.00 54.97 55.47 1rin s GLU 2 Cb 0.00 -0.08 -0.01 0.00 0.10 0.00 0.00 34.13 34.13 1rin s GLU 2 CO 0.00 -0.13 -0.16 0.99 0.02 0.00 0.00 175.26 175.98 1rin s THR 3 N 0.98 1.26 0.00 3.63 2.01 -1.26 -5.06 115.64 117.20 1rin s THR 3 Ca -0.07 -0.72 0.03 0.00 0.31 0.00 0.00 61.69 61.24 1rin s THR 3 Cb -0.09 -1.05 -0.01 0.00 0.01 0.00 0.00 72.50 71.36 1rin s THR 3 CO -0.06 0.32 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.21 1rin s THR 4 N -0.42 0.78 0.02 -0.82 2.01 -1.26 -5.10 115.64 110.85 1rin s THR 4 Ca 0.06 -0.54 -0.25 0.00 0.31 0.00 0.00 61.69 61.27 1rin s THR 4 Cb -0.06 -0.67 0.06 0.00 0.01 0.00 0.00 72.50 71.83 1rin s THR 4 CO -0.00 0.14 0.58 -0.44 -0.69 0.00 0.00 174.62 174.20 1rin s SER 5 N -0.45 -0.53 0.08 3.53 0.01 -1.26 -5.10 113.70 109.98 1rin s SER 5 Ca 0.02 0.36 -0.26 0.00 1.31 0.00 0.00 55.95 57.39 1rin s SER 5 Cb -0.05 0.51 0.08 0.00 0.21 0.00 0.00 66.02 66.77 1rin s SER 5 CO -0.00 -0.69 0.68 0.72 0.41 0.00 0.00 173.24 174.36 1rin s PHE 6 N -2.05 -0.52 -0.03 2.43 -0.12 -1.26 -5.16 117.98 111.26 1rin s PHE 6 Ca -0.07 0.47 -0.01 0.00 -0.05 0.00 0.00 56.93 57.27 1rin s PHE 6 Cb -0.01 0.52 0.03 0.00 -0.63 0.00 0.00 43.02 42.94 1rin s PHE 6 CO 0.02 -0.73 0.05 -1.17 -0.05 0.00 0.00 175.22 173.34 1rin s LEU 7 N -2.34 0.85 -0.31 -1.99 2.96 -1.26 -5.11 118.68 111.48 1rin s LEU 7 Ca -0.01 0.08 0.01 0.00 -0.22 0.00 0.00 54.13 54.00 1rin s LEU 7 Cb -0.01 -0.02 0.09 0.00 0.50 0.00 0.00 46.19 46.75 1rin s LEU 7 CO -0.07 -0.15 0.06 -0.63 -1.32 0.00 0.00 176.35 174.23 1rin s ILE 8 N 1.30 1.53 -0.48 6.68 1.01 -1.26 -5.00 121.20 124.98 1rin s ILE 8 Ca -0.06 -1.76 0.24 0.00 0.00 0.00 0.00 60.65 59.06 1rin s ILE 8 Cb -0.13 -2.10 0.27 0.00 0.01 0.00 0.00 42.46 40.52 1rin s ILE 8 CO -0.03 -0.57 1.56 0.71 0.00 0.00 0.00 174.94 176.60 1rin h THR 9 N 6.56 0.00 -2.89 2.92 1.35 -2.00 -3.44 112.91 115.40 1rin h THR 9 Ca -0.10 -0.88 -0.17 0.00 -0.55 0.00 0.00 66.41 64.72 1rin h THR 9 Cb 1.02 1.79 -0.28 0.00 -1.73 0.00 0.00 68.15 68.95 1rin h THR 9 CO 0.48 0.00 -0.42 -0.54 -0.25 0.00 0.00 175.52 174.80 1rin s LYS 10 N -3.21 0.28 0.35 4.72 1.02 -1.26 -5.15 119.74 116.49 1rin s LYS 10 Ca 0.07 0.62 -0.24 0.00 0.02 0.00 0.00 55.97 56.43 1rin s LYS 10 Cb 0.07 -0.08 -0.10 0.00 -0.52 0.00 0.00 37.83 37.20 1rin s LYS 10 CO 0.67 -0.16 0.94 -0.06 -0.92 0.00 0.00 175.35 175.82 1rin s PHE 11 N 1.28 3.58 0.27 3.18 0.08 -0.87 -4.96 117.98 120.54 1rin s PHE 11 Ca -0.09 1.72 0.08 0.00 0.12 0.00 0.00 56.93 58.75 1rin s PHE 11 Cb -0.09 -2.89 -0.04 0.00 -0.57 0.00 0.00 43.02 39.43 1rin s PHE 11 CO -0.10 0.12 0.18 0.45 -0.10 0.00 0.00 175.22 175.78 1rin s SER 12 N -1.79 5.32 0.55 1.36 0.15 -1.26 -1.90 113.70 116.13 1rin s SER 12 Ca 0.53 -0.37 0.29 0.00 0.70 0.00 0.00 55.95 57.11 1rin s SER 12 Cb -0.16 -1.23 1.58 0.00 -1.71 0.00 0.00 66.02 64.51 1rin s SER 12 CO 0.20 -0.10 2.12 -0.65 1.20 0.00 0.00 173.24 176.02 1rin h PRO 13 N 1.50 0.00 -2.45 5.44 0.11 -1.80 -3.27 132.00 131.54 1rin h PRO 13 Ca -0.47 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.02 1rin h PRO 13 Cb 1.24 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.95 1rin h PRO 13 CO 0.60 0.08 -0.47 -3.47 -0.21 0.00 0.00 178.00 174.54 1rin n ASP 14 N -3.63 3.86 -4.34 -2.05 2.03 -1.26 -4.82 116.55 106.35 1rin n ASP 14 Ca -0.02 -3.39 -0.44 0.00 0.52 0.00 0.00 54.79 51.46 1rin n ASP 14 Cb 0.20 -0.74 0.00 0.00 -0.72 0.00 0.00 41.12 39.86 1rin n ASP 14 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1rin n GLN 15 N 1.13 3.50 0.00 -0.67 -0.06 -1.23 -4.83 117.38 115.22 1rin n GLN 15 Ca 0.28 -3.99 0.12 0.00 -2.00 0.00 0.00 57.00 51.41 1rin n GLN 15 Cb 0.39 -2.89 0.66 0.00 -4.06 0.00 0.00 30.24 24.35 1rin n GLN 15 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1rin n GLN 16 N 4.51 0.50 -0.08 3.69 6.02 -1.26 -2.68 117.38 128.08 1rin n GLN 16 Ca 0.34 0.04 0.11 0.00 -0.01 0.00 0.00 57.00 57.48 1rin n GLN 16 Cb 0.41 -1.50 0.37 0.00 1.02 0.00 0.00 30.24 30.54 1rin n GLN 16 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1rin n ASN 17 N -1.19 1.87 -4.78 1.08 6.94 -1.26 -4.90 115.26 113.02 1rin n ASN 17 Ca 0.14 -1.72 -0.25 0.00 -0.02 0.00 0.00 54.58 52.74 1rin n ASN 17 Cb 0.16 -0.10 -0.05 0.00 -2.36 0.00 0.00 39.78 37.42 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 -1.64 3.72 -0.24 -4.53 1.43 -1.09 -0.66 118.68 115.67 1rin s LEU 18 Ca 0.34 -0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 53.20 1rin s LEU 18 Cb 0.19 -2.30 0.03 0.00 0.03 0.00 0.00 46.19 44.14 1rin s LEU 18 CO 0.28 0.03 -0.08 -0.63 0.23 0.00 0.00 176.35 176.18 1rin s ILE 19 N -1.90 2.67 0.05 -0.59 1.01 0.13 -4.77 121.20 117.80 1rin s ILE 19 Ca 0.31 -1.11 -0.14 0.00 0.00 0.00 0.00 60.65 59.71 1rin s ILE 19 Cb -0.09 -2.36 -0.06 0.00 0.01 0.00 0.00 42.46 39.96 1rin s ILE 19 CO 0.23 0.20 0.45 -0.36 0.00 0.00 0.00 174.94 175.46 1rin s PHE 20 N 1.29 3.68 0.04 3.97 0.08 -1.26 -0.31 117.98 125.46 1rin s PHE 20 Ca -0.01 0.98 0.04 0.00 0.12 0.00 0.00 56.93 58.06 1rin s PHE 20 Cb -0.17 -2.29 -0.02 0.00 -0.57 0.00 0.00 43.02 39.97 1rin s PHE 20 CO -0.06 0.57 -0.11 -0.65 -0.10 0.00 0.00 175.22 174.88 1rin s GLN 21 N -1.44 0.72 6.55 0.44 -0.21 0.15 -4.98 119.66 120.89 1rin s GLN 21 Ca 0.29 -0.70 0.00 0.00 0.02 0.00 0.00 55.36 54.97 1rin s GLN 21 Cb -0.16 -0.65 0.00 0.00 1.00 0.00 0.00 33.01 33.20 1rin s GLN 21 CO 0.16 0.15 0.00 0.41 -2.12 0.00 0.00 175.29 173.89 1rin n GLY 22 N 1.83 1.87 1.16 3.09 0.00 -1.26 -0.51 105.19 111.36 1rin n GLY 22 Ca -0.19 -0.46 0.11 0.00 0.00 0.00 0.00 46.02 45.47 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 5.26 3.36 -4.74 1.61 8.00 0.37 -4.89 116.55 125.52 1rin n ASP 23 Ca 0.00 -1.99 -0.42 0.00 0.71 0.00 0.00 54.79 53.10 1rin n ASP 23 Cb 0.00 -0.39 -0.02 0.00 -0.02 0.00 0.00 41.12 40.69 1rin n ASP 23 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1rin s GLY 24 N -1.09 1.99 0.09 0.44 0.00 -1.06 -4.76 107.32 102.94 1rin s GLY 24 Ca 0.42 1.54 -0.25 0.00 0.00 0.00 0.00 44.72 46.43 1rin s GLY 24 CO 0.29 2.57 0.61 -2.52 0.00 0.00 0.00 173.10 174.05 1rin s TYR 25 N 0.20 -0.55 -0.03 1.90 1.13 -0.35 -4.64 117.35 115.00 1rin s TYR 25 Ca 0.65 0.55 -0.02 0.00 -1.41 0.00 0.00 57.07 56.83 1rin s TYR 25 Cb -0.47 0.49 -0.04 0.00 -1.10 0.00 0.00 41.96 40.84 1rin s TYR 25 CO 0.45 -0.76 0.12 0.95 -2.51 0.00 0.00 175.55 173.80 1rin s THR 26 N -2.93 5.08 0.00 -3.49 -4.23 -1.26 -0.42 115.64 108.39 1rin s THR 26 Ca -0.03 -0.20 0.00 0.00 -1.18 0.00 0.00 61.69 60.28 1rin s THR 26 Cb -0.01 -3.31 0.00 0.00 1.34 0.00 0.00 72.50 70.53 1rin s THR 26 CO -0.06 0.41 0.00 1.07 -0.54 0.00 0.00 174.62 175.50 1rin n THR 27 N 1.31 0.00 -2.00 3.99 5.66 -0.06 -4.61 114.28 118.57 1rin n THR 27 Ca -0.14 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.44 1rin n THR 27 Cb 0.53 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.28 1rin n THR 27 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1rin s LYS 28 N -0.90 4.20 0.00 1.09 3.01 -1.26 -3.26 119.74 122.62 1rin s LYS 28 Ca 0.00 2.22 0.00 0.00 -1.01 0.00 0.00 55.97 57.18 1rin s LYS 28 Cb 0.00 -3.76 0.00 0.00 -1.01 0.00 0.00 37.83 33.06 1rin s LYS 28 CO 0.00 -0.76 0.00 0.39 0.51 0.00 0.00 175.35 175.49 1rin n GLU 29 N 6.23 0.00 -3.98 1.68 -0.58 -0.80 -4.96 120.64 118.24 1rin n GLU 29 Ca 0.16 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.59 1rin n GLU 29 Cb 0.42 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.24 1rin n GLU 29 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1rin s LYS 30 N 0.00 3.19 -0.39 3.49 1.02 -1.26 -2.04 119.74 123.75 1rin s LYS 30 Ca 0.00 -0.55 -0.16 0.00 0.02 0.00 0.00 55.97 55.28 1rin s LYS 30 Cb 0.00 -2.90 0.01 0.00 -0.52 0.00 0.00 37.83 34.42 1rin s LYS 30 CO 0.00 0.59 0.40 -1.17 -0.92 0.00 0.00 175.35 174.25 1rin s LEU 31 N -2.46 4.74 -0.25 3.17 2.96 -1.26 -0.88 118.68 124.71 1rin s LEU 31 Ca 0.32 -0.54 -0.16 0.00 -0.22 0.00 0.00 54.13 53.53 1rin s LEU 31 Cb -0.13 -2.36 -0.03 0.00 0.50 0.00 0.00 46.19 44.17 1rin s LEU 31 CO 0.25 -0.49 0.44 -0.89 -1.32 0.00 0.00 176.35 174.34 1rin s THR 32 N 2.07 5.14 -0.24 3.68 2.01 0.44 -4.97 115.64 123.77 1rin s THR 32 Ca 0.12 0.73 -0.15 0.00 0.31 0.00 0.00 61.69 62.70 1rin s THR 32 Cb -0.17 -3.76 -0.16 0.00 0.01 0.00 0.00 72.50 68.42 1rin s THR 32 CO 0.13 0.15 -0.06 0.18 -0.69 0.00 0.00 174.62 174.33 1rin n LEU 33 N 5.19 2.08 -4.01 4.42 4.77 -1.26 -1.21 117.00 126.98 1rin n LEU 33 Ca -0.07 0.31 -0.19 0.00 -0.03 0.00 0.00 56.01 56.04 1rin n LEU 33 Cb 0.50 -0.91 -0.15 0.00 -2.33 0.00 0.00 43.42 40.53 1rin n LEU 33 CO 0.39 0.53 -0.43 0.42 -1.33 0.00 0.00 177.39 176.97 1rin s THR 34 N -2.46 0.69 1.02 -5.08 -4.23 -1.26 -3.60 115.64 100.72 1rin s THR 34 Ca -0.33 -0.36 -0.16 0.00 -1.18 0.00 0.00 61.69 59.65 1rin s THR 34 Cb 0.10 -0.59 0.21 0.00 1.34 0.00 0.00 72.50 73.56 1rin s THR 34 CO 0.57 0.20 1.21 -0.54 -0.54 0.00 0.00 174.62 175.51 1rin s LYS 35 N -0.13 0.21 -1.22 3.99 1.02 -1.26 -4.94 119.74 117.40 1rin s LYS 35 Ca 0.02 -0.12 -0.14 0.00 0.02 0.00 0.00 55.97 55.75 1rin s LYS 35 Cb -0.04 -1.77 0.16 0.00 -0.52 0.00 0.00 37.83 35.66 1rin s LYS 35 CO -0.00 -2.75 1.48 0.00 -0.92 0.00 0.00 175.35 173.15 1rin n ALA 36 N -4.07 3.84 -2.17 5.17 0.00 -1.26 -4.90 120.51 117.13 1rin n ALA 36 Ca 0.12 -4.20 -0.11 0.00 0.00 0.00 0.00 53.44 49.26 1rin n ALA 36 Cb 0.59 -3.12 -0.10 0.00 0.00 0.00 0.00 19.45 16.82 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 1.88 0.34 0.45 0.00 -7.23 -1.26 -5.05 120.40 109.53 1rin s VAL 37 Ca 0.44 -1.92 -0.22 0.00 -1.81 0.00 0.00 61.98 58.47 1rin s VAL 37 Cb -0.02 -1.96 -0.08 0.00 0.56 0.00 0.00 36.38 34.88 1rin s VAL 37 CO 0.01 -0.58 1.10 -0.75 -0.31 0.00 0.00 175.10 174.57 1rin s LYS 38 N -3.97 3.86 -1.12 4.82 2.20 -1.26 -4.43 119.74 119.85 1rin s LYS 38 Ca 0.20 1.59 -0.30 0.00 -0.36 0.00 0.00 55.97 57.11 1rin s LYS 38 Cb 0.07 -2.36 0.04 0.00 -1.51 0.00 0.00 37.83 34.07 1rin s LYS 38 CO 0.00 -0.42 0.64 0.09 -0.36 0.00 0.00 175.35 175.30 1rin n ASN 39 N -0.51 -4.01 -4.29 1.43 3.02 -1.26 -4.98 115.26 104.66 1rin n ASN 39 Ca 0.07 -1.22 -0.20 0.00 -0.03 0.00 0.00 54.58 53.20 1rin n ASN 39 Cb 0.50 -1.52 -0.11 0.00 -0.61 0.00 0.00 39.78 38.04 1rin n ASN 39 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1rin s THR 40 N -3.50 1.59 0.02 3.41 -1.32 -1.26 -5.01 115.64 109.56 1rin s THR 40 Ca 0.41 -1.82 0.02 0.00 -1.21 0.00 0.00 61.69 59.09 1rin s THR 40 Cb -0.23 -1.69 -0.01 0.00 -1.51 0.00 0.00 72.50 69.05 1rin s THR 40 CO 0.93 -0.36 -0.07 0.54 -2.21 0.00 0.00 174.62 173.46 1rin s VAL 41 N -2.07 0.49 -0.09 5.08 0.11 -1.26 -4.68 120.40 117.97 1rin s VAL 41 Ca 0.12 -0.62 -0.06 0.00 -2.93 0.00 0.00 61.98 58.49 1rin s VAL 41 Cb -0.05 -0.48 0.03 0.00 -1.53 0.00 0.00 36.38 34.35 1rin s VAL 41 CO 0.05 -0.10 0.22 -0.83 -3.33 0.00 0.00 175.10 171.11 1rin s GLY 42 N -0.79 -0.14 0.03 6.54 0.00 -1.24 -0.48 107.32 111.25 1rin s GLY 42 Ca -0.03 0.79 0.01 0.00 0.00 0.00 0.00 44.72 45.49 1rin s GLY 42 CO 0.00 0.91 -0.05 0.50 0.00 0.00 0.00 173.10 174.46 1rin s ARG 43 N 0.74 0.39 -0.04 2.90 0.52 0.34 -4.79 118.95 119.01 1rin s ARG 43 Ca -0.05 -0.60 -0.01 0.00 -0.52 0.00 0.00 55.73 54.54 1rin s ARG 43 Cb -0.07 -0.11 0.03 0.00 0.52 0.00 0.00 34.95 35.32 1rin s ARG 43 CO -0.04 0.01 0.08 0.00 0.02 0.00 0.00 175.30 175.36 1rin s ALA 44 N -1.23 -0.08 0.01 2.13 0.00 -1.26 -0.68 121.76 120.65 1rin s ALA 44 Ca -0.11 0.42 0.08 0.00 0.00 0.00 0.00 51.96 52.36 1rin s ALA 44 Cb -0.09 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 1rin s ALA 44 CO -0.00 -0.11 -0.25 -0.51 0.00 0.00 0.00 175.76 174.89 1rin s LEU 45 N 0.96 2.10 0.11 0.00 1.43 0.57 -4.91 118.68 118.94 1rin s LEU 45 Ca -0.08 -0.50 -0.31 0.00 -1.03 0.00 0.00 54.13 52.22 1rin s LEU 45 Cb -0.11 -1.23 -0.08 0.00 0.03 0.00 0.00 46.19 44.81 1rin s LEU 45 CO -0.04 0.27 1.36 -0.47 0.23 0.00 0.00 176.35 177.70 1rin s TYR 46 N -0.67 3.27 0.54 0.29 5.04 -1.26 0.18 117.35 124.75 1rin s TYR 46 Ca 0.10 1.02 0.21 0.00 -2.44 0.00 0.00 57.07 55.96 1rin s TYR 46 Cb -0.09 -3.64 1.45 0.00 0.35 0.00 0.00 41.96 40.03 1rin s TYR 46 CO 0.00 -2.20 2.16 0.66 -1.34 0.00 0.00 175.55 174.84 1rin h SER 47 N 6.73 0.00 -3.34 4.32 4.64 -1.19 -3.43 113.55 121.28 1rin h SER 47 Ca -0.42 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.33 1rin h SER 47 Cb 1.21 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.23 1rin h SER 47 CO 0.85 0.00 -0.04 -0.55 -0.87 0.00 0.00 176.83 176.22 1rin s SER 48 N -6.66 6.82 0.40 4.97 0.15 -1.26 -5.05 113.70 113.07 1rin s SER 48 Ca -0.05 0.98 -0.27 0.00 0.70 0.00 0.00 55.95 57.32 1rin s SER 48 Cb 0.17 -2.34 -0.10 0.00 -1.71 0.00 0.00 66.02 62.04 1rin s SER 48 CO 0.63 -0.03 1.43 -2.84 1.20 0.00 0.00 173.24 173.63 1rin s PRO 49 N 0.62 3.96 -0.14 5.44 0.02 -1.26 -5.04 135.00 138.60 1rin s PRO 49 Ca 0.31 2.43 -0.05 0.00 0.02 0.00 0.00 61.00 63.71 1rin s PRO 49 Cb -0.16 -2.84 -0.04 0.00 0.02 0.00 0.00 34.50 31.48 1rin s PRO 49 CO 0.14 -0.60 0.03 0.42 -0.33 0.00 0.00 177.00 176.65 1rin s ILE 50 N -1.17 4.52 -0.83 2.83 -1.09 -1.26 -5.06 121.20 119.14 1rin s ILE 50 Ca 0.56 -0.15 -0.22 0.00 -2.23 0.00 0.00 60.65 58.61 1rin s ILE 50 Cb -0.44 -2.97 0.09 0.00 -1.58 0.00 0.00 42.46 37.56 1rin s ILE 50 CO 0.58 0.54 1.13 -2.28 -1.23 0.00 0.00 174.94 173.68 1rin s HIS 51 N -0.23 2.79 0.00 3.97 2.46 -1.26 -4.86 115.29 118.15 1rin s HIS 51 Ca 0.07 -0.87 0.11 0.00 0.47 0.00 0.00 55.06 54.83 1rin s HIS 51 Cb -0.12 -4.38 -0.11 0.00 -0.13 0.00 0.00 32.58 27.83 1rin s HIS 51 CO 0.02 -1.67 1.28 0.97 -2.47 0.00 0.00 174.74 172.86 1rin h ILE 52 N 6.06 1.30 -3.59 0.89 6.09 -1.97 -3.45 117.51 122.84 1rin h ILE 52 Ca -0.04 -2.89 -0.05 0.00 -1.37 0.00 0.00 64.86 60.51 1rin h ILE 52 Cb 1.04 2.63 -0.10 0.00 0.47 0.00 0.00 36.82 40.87 1rin h ILE 52 CO 1.20 0.74 -0.11 -1.66 -3.07 0.00 0.00 178.15 175.26 1rin s TRP 53 N -2.80 0.25 -0.02 2.19 1.48 -1.26 -0.43 118.94 118.35 1rin s TRP 53 Ca 0.01 -0.61 0.05 0.00 -1.06 0.00 0.00 56.10 54.49 1rin s TRP 53 Cb 0.09 0.21 -0.01 0.00 -1.16 0.00 0.00 33.47 32.60 1rin s TRP 53 CO 0.79 -0.95 -0.18 0.34 -4.06 0.00 0.00 176.95 172.90 1rin s ASP 54 N -2.98 2.11 0.01 -2.66 2.15 0.60 -4.97 116.67 110.94 1rin s ASP 54 Ca 0.19 -0.33 -0.18 0.00 0.43 0.00 0.00 52.55 52.66 1rin s ASP 54 Cb -0.00 -0.30 -0.10 0.00 -0.30 0.00 0.00 42.92 42.22 1rin s ASP 54 CO 0.05 0.21 1.02 0.08 -0.17 0.00 0.00 175.17 176.36 1rin h ARG 55 N 5.80 -0.61 -0.84 4.34 -0.00 -1.94 0.16 114.38 121.28 1rin h ARG 55 Ca -0.36 0.04 0.10 0.00 -0.00 0.00 0.00 59.98 59.76 1rin h ARG 55 Cb 1.15 0.14 -0.06 0.00 -0.00 0.00 0.00 29.97 31.20 1rin h ARG 55 CO 0.48 -0.41 0.55 0.93 -0.00 0.00 0.00 179.97 181.52 1rin h GLU 56 N -0.79 0.77 0.00 0.08 5.08 -1.99 -1.25 114.58 116.48 1rin h GLU 56 Ca -0.07 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.08 1rin h GLU 56 Cb 0.49 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1rin h GLU 56 CO 0.11 0.51 -1.59 0.25 -1.00 0.00 0.00 179.01 177.29 1rin n THR 57 N -4.52 1.05 -1.02 1.13 -2.24 -1.25 -4.95 114.28 102.48 1rin n THR 57 Ca 0.14 -0.68 -0.01 0.00 -2.27 0.00 0.00 64.05 61.23 1rin n THR 57 Cb 0.33 -0.60 -0.00 0.00 -2.10 0.00 0.00 70.33 67.96 1rin n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rin n GLY 58 N 1.42 0.41 3.77 3.38 0.00 0.56 -5.00 105.19 109.72 1rin n GLY 58 Ca -0.12 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.09 6.30 0.04 1.61 -0.87 -1.15 -4.73 114.94 114.06 1rin s ASN 59 Ca 0.00 2.44 0.07 0.00 -1.57 0.00 0.00 52.86 53.80 1rin s ASN 59 Cb 0.00 -2.62 -0.02 0.00 -0.02 0.00 0.00 41.25 38.59 1rin s ASN 59 CO 0.00 -0.84 -0.20 -0.69 -2.57 0.00 0.00 177.10 172.80 1rin s VAL 60 N -1.40 1.61 0.43 1.60 1.01 -1.26 -0.29 120.40 122.10 1rin s VAL 60 Ca 0.60 -1.19 -0.16 0.00 0.00 0.00 0.00 61.98 61.23 1rin s VAL 60 Cb -0.33 -1.41 -0.09 0.00 0.00 0.00 0.00 36.38 34.56 1rin s VAL 60 CO 0.41 0.18 0.88 0.00 0.00 0.00 0.00 175.10 176.57 1rin s ALA 61 N -0.81 3.17 -0.18 5.51 0.00 0.43 -4.79 121.76 125.09 1rin s ALA 61 Ca 0.07 0.14 -0.11 0.00 0.00 0.00 0.00 51.96 52.06 1rin s ALA 61 Cb -0.09 -2.97 -0.05 0.00 0.00 0.00 0.00 23.12 20.01 1rin s ALA 61 CO 0.02 0.02 0.18 -0.80 0.00 0.00 0.00 175.76 175.18 1rin s ASN 62 N -2.69 6.30 0.12 0.00 0.01 -1.26 -4.17 114.94 113.25 1rin s ASN 62 Ca 0.57 0.35 -0.01 0.00 -0.71 0.00 0.00 52.86 53.06 1rin s ASN 62 Cb -0.10 -2.12 -0.04 0.00 0.41 0.00 0.00 41.25 39.41 1rin s ASN 62 CO 0.24 0.19 0.04 0.72 -1.51 0.00 0.00 177.10 176.77 1rin s PHE 63 N 0.21 0.82 -0.13 2.20 -0.12 -0.82 -4.99 117.98 115.14 1rin s PHE 63 Ca 0.11 -1.20 -0.11 0.00 -0.05 0.00 0.00 56.93 55.68 1rin s PHE 63 Cb -0.12 -0.47 0.04 0.00 -0.63 0.00 0.00 43.02 41.84 1rin s PHE 63 CO 0.01 -0.48 0.35 0.54 -0.05 0.00 0.00 175.22 175.58 1rin s VAL 64 N -4.01 -0.01 0.03 -2.49 0.11 -1.26 -0.45 120.40 112.32 1rin s VAL 64 Ca 0.21 0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.30 1rin s VAL 64 Cb 0.07 -0.50 -0.02 0.00 -1.53 0.00 0.00 36.38 34.41 1rin s VAL 64 CO -0.00 0.01 -0.06 0.28 -3.33 0.00 0.00 175.10 171.99 1rin s THR 65 N 0.39 0.44 -0.00 5.04 -1.32 0.44 -5.00 115.64 115.63 1rin s THR 65 Ca -0.02 -0.88 0.01 0.00 -1.21 0.00 0.00 61.69 59.60 1rin s THR 65 Cb -0.04 -0.50 0.00 0.00 -1.51 0.00 0.00 72.50 70.46 1rin s THR 65 CO -0.02 -0.30 -0.03 -0.44 -2.21 0.00 0.00 174.62 171.63 1rin s SER 66 N -1.27 0.33 0.00 8.08 0.01 -1.26 -0.83 113.70 118.77 1rin s SER 66 Ca -0.08 -0.05 -0.17 0.00 1.31 0.00 0.00 55.95 56.96 1rin s SER 66 Cb -0.08 -0.05 0.03 0.00 0.21 0.00 0.00 66.02 66.12 1rin s SER 66 CO 0.00 0.02 0.37 0.72 0.41 0.00 0.00 173.24 174.77 1rin s PHE 67 N 0.03 -0.24 -0.18 2.43 -0.71 -0.86 -5.00 117.98 113.46 1rin s PHE 67 Ca 0.00 0.31 -0.07 0.00 -1.04 0.00 0.00 56.93 56.13 1rin s PHE 67 Cb -0.02 0.16 -0.04 0.00 -1.21 0.00 0.00 43.02 41.91 1rin s PHE 67 CO -0.00 -0.47 0.06 0.99 -1.34 0.00 0.00 175.22 174.45 1rin s THR 68 N -1.75 4.71 0.18 -4.49 2.01 -1.26 -0.80 115.64 114.24 1rin s THR 68 Ca -0.10 -0.06 0.04 0.00 0.31 0.00 0.00 61.69 61.87 1rin s THR 68 Cb -0.03 -3.12 -0.05 0.00 0.01 0.00 0.00 72.50 69.31 1rin s THR 68 CO 0.02 0.46 -0.05 0.72 -0.69 0.00 0.00 174.62 175.08 1rin s PHE 69 N 0.40 1.33 -0.07 4.92 -0.71 -0.51 -4.94 117.98 118.40 1rin s PHE 69 Ca 0.03 -0.87 0.01 0.00 -1.04 0.00 0.00 56.93 55.06 1rin s PHE 69 Cb -0.13 -0.73 0.02 0.00 -1.21 0.00 0.00 43.02 40.97 1rin s PHE 69 CO 0.00 -0.02 -0.08 0.08 -1.34 0.00 0.00 175.22 173.86 1rin s VAL 70 N -3.43 0.91 -0.10 -2.49 1.01 -1.26 -1.31 120.40 113.72 1rin s VAL 70 Ca 0.22 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.85 1rin s VAL 70 Cb 0.04 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 1rin s VAL 70 CO 0.04 0.32 0.06 -0.63 0.00 0.00 0.00 175.10 174.88 1rin s ILE 71 N 1.04 4.78 -0.36 2.22 1.01 -1.26 -5.02 121.20 123.60 1rin s ILE 71 Ca -0.08 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.50 1rin s ILE 71 Cb -0.14 -3.04 0.12 0.00 0.01 0.00 0.00 42.46 39.41 1rin s ILE 71 CO -0.00 0.61 0.17 0.20 0.00 0.00 0.00 174.94 175.92 1rin s ASN 72 N -0.94 3.66 -0.22 3.58 0.01 -1.26 -0.87 114.94 118.91 1rin s ASN 72 Ca 0.14 -2.07 -0.13 0.00 -0.71 0.00 0.00 52.86 50.09 1rin s ASN 72 Cb -0.12 -0.80 -0.04 0.00 0.41 0.00 0.00 41.25 40.70 1rin s ASN 72 CO 0.03 -0.34 0.28 0.00 -1.51 0.00 0.00 177.10 175.55 1rin s ALA 73 N 1.10 3.59 0.40 0.60 0.00 -1.26 -4.86 121.76 121.32 1rin s ALA 73 Ca 0.14 -0.69 0.09 0.00 0.00 0.00 0.00 51.96 51.50 1rin s ALA 73 Cb -0.21 -2.47 0.82 0.00 0.00 0.00 0.00 23.12 21.26 1rin s ALA 73 CO -0.12 -0.21 1.96 -1.35 0.00 0.00 0.00 175.76 176.04 1rin h PRO 74 N 7.37 0.32 -4.65 0.00 0.11 -1.97 -3.34 132.00 129.84 1rin h PRO 74 Ca -0.37 -0.05 -0.70 0.00 0.11 0.00 0.00 66.00 64.98 1rin h PRO 74 Cb 1.17 -0.05 -0.29 0.00 0.11 0.00 0.00 31.00 31.93 1rin h PRO 74 CO 0.69 0.36 -0.60 1.21 -0.21 0.00 0.00 178.00 179.46 1rin s ASN 75 N -6.84 5.31 0.00 -2.05 3.84 -1.26 -4.97 114.94 108.96 1rin s ASN 75 Ca -0.06 -1.25 0.08 0.00 0.21 0.00 0.00 52.86 51.84 1rin s ASN 75 Cb 0.16 -1.86 0.49 0.00 -0.55 0.00 0.00 41.25 39.48 1rin s ASN 75 CO 0.73 -0.36 0.91 -1.54 -2.79 0.00 0.00 177.10 174.05 1rin n SER 76 N 4.79 0.00 -0.02 -4.21 3.41 -1.26 -2.35 113.62 113.99 1rin n SER 76 Ca -0.12 -0.37 0.04 0.00 -0.26 0.00 0.00 58.87 58.16 1rin n SER 76 Cb 0.44 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.29 1rin n SER 76 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1rin n TYR 77 N -0.91 0.00 -3.82 7.33 4.02 -1.26 -4.74 117.16 117.78 1rin n TYR 77 Ca 0.06 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.65 1rin n TYR 77 Cb 0.03 -0.37 -0.10 0.00 -0.02 0.00 0.00 39.34 38.87 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 -3.74 5.17 -0.20 7.72 -0.87 -0.99 -5.03 114.94 116.99 1rin s ASN 78 Ca -0.05 -3.79 -0.02 0.00 -1.57 0.00 0.00 52.86 47.44 1rin s ASN 78 Cb 0.07 -1.72 0.00 0.00 -0.02 0.00 0.00 41.25 39.58 1rin s ASN 78 CO 0.54 -0.12 -0.11 -0.69 -2.57 0.00 0.00 177.10 174.15 1rin s VAL 79 N -1.38 2.87 0.15 1.60 1.01 -1.26 -4.70 120.40 118.69 1rin s VAL 79 Ca 0.25 -0.67 -0.15 0.00 0.00 0.00 0.00 61.98 61.41 1rin s VAL 79 Cb -0.06 -2.27 0.03 0.00 0.00 0.00 0.00 36.38 34.08 1rin s VAL 79 CO -0.15 0.47 0.42 0.00 0.00 0.00 0.00 175.10 175.84 1rin s ALA 80 N 1.36 -0.80 -0.18 5.51 0.00 -1.26 -3.91 121.76 122.47 1rin s ALA 80 Ca 0.05 -0.22 0.12 0.00 0.00 0.00 0.00 51.96 51.91 1rin s ALA 80 Cb -0.14 0.75 -0.20 0.00 0.00 0.00 0.00 23.12 23.54 1rin s ALA 80 CO -0.06 -0.69 -0.01 -0.25 0.00 0.00 0.00 175.76 174.75 1rin n ASP 81 N -0.25 1.13 0.00 0.00 8.00 -1.26 -5.01 116.55 119.15 1rin n ASP 81 Ca -0.13 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.34 1rin n ASP 81 Cb 0.63 0.59 0.00 0.00 -0.02 0.00 0.00 41.12 42.32 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 2.06 0.64 2.94 0.44 0.00 -1.26 -2.14 105.19 107.87 1rin n GLY 82 Ca -0.31 -1.80 -0.12 0.00 0.00 0.00 0.00 46.02 43.79 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 -2.20 0.24 0.08 1.61 5.36 -0.53 -4.99 117.98 117.55 1rin s PHE 83 Ca 0.00 -0.23 0.03 0.00 -0.96 0.00 0.00 56.93 55.77 1rin s PHE 83 Cb 0.00 -0.16 -0.03 0.00 -0.34 0.00 0.00 43.02 42.49 1rin s PHE 83 CO 0.00 -0.07 -0.09 0.95 -1.46 0.00 0.00 175.22 174.56 1rin s THR 84 N -0.61 0.77 -0.19 0.12 -4.23 -1.26 0.00 115.64 110.24 1rin s THR 84 Ca -0.05 -1.54 -0.07 0.00 -1.18 0.00 0.00 61.69 58.84 1rin s THR 84 Cb -0.04 -1.22 -0.04 0.00 1.34 0.00 0.00 72.50 72.54 1rin s THR 84 CO -0.00 -0.58 0.06 0.12 -0.54 0.00 0.00 174.62 173.69 1rin s PHE 85 N -2.39 3.22 0.15 3.99 5.36 -0.87 -4.96 117.98 122.47 1rin s PHE 85 Ca 0.02 -0.01 0.02 0.00 -0.96 0.00 0.00 56.93 56.01 1rin s PHE 85 Cb -0.03 -2.11 -0.04 0.00 -0.34 0.00 0.00 43.02 40.50 1rin s PHE 85 CO -0.01 0.07 -0.04 -0.59 -1.46 0.00 0.00 175.22 173.19 1rin s PHE 86 N 0.59 1.14 -0.21 10.12 -0.71 -1.26 -0.89 117.98 126.76 1rin s PHE 86 Ca 0.03 -0.93 0.01 0.00 -1.04 0.00 0.00 56.93 55.00 1rin s PHE 86 Cb -0.13 -0.64 0.05 0.00 -1.21 0.00 0.00 43.02 41.09 1rin s PHE 86 CO 0.01 -0.13 -0.09 0.42 -1.34 0.00 0.00 175.22 174.09 1rin s ILE 87 N -3.57 1.63 0.33 -4.49 1.01 -0.67 -5.03 121.20 110.42 1rin s ILE 87 Ca 0.19 -1.07 0.05 0.00 0.00 0.00 0.00 60.65 59.82 1rin s ILE 87 Cb 0.05 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 1rin s ILE 87 CO 0.01 0.11 0.22 0.00 0.00 0.00 0.00 174.94 175.28 1rin s ALA 88 N 1.39 2.00 0.89 9.38 0.00 -1.26 -1.97 121.76 132.18 1rin s ALA 88 Ca -0.02 -1.84 -0.10 0.00 0.00 0.00 0.00 51.96 49.99 1rin s ALA 88 Cb -0.17 1.30 0.13 0.00 0.00 0.00 0.00 23.12 24.38 1rin s ALA 88 CO -0.08 -0.58 1.14 -2.14 0.00 0.00 0.00 175.76 174.11 1rin s PRO 89 N -3.62 1.22 0.27 0.00 0.02 -1.26 -4.91 135.00 126.72 1rin s PRO 89 Ca 0.37 1.52 -0.01 0.00 0.02 0.00 0.00 61.00 62.90 1rin s PRO 89 Cb 0.03 -1.75 0.51 0.00 0.02 0.00 0.00 34.50 33.30 1rin s PRO 89 CO 0.22 -2.48 1.81 0.28 -0.33 0.00 0.00 177.00 176.51 1rin h VAL 90 N -1.71 0.87 -0.17 3.83 2.07 -2.00 -1.68 116.25 117.47 1rin h VAL 90 Ca -0.43 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 1rin h VAL 90 Cb 1.27 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1rin h VAL 90 CO 0.43 0.15 0.03 -0.90 0.02 0.00 0.00 177.57 177.30 1rin n ASP 91 N -4.71 2.41 -4.70 0.57 5.68 -1.26 -4.93 116.55 109.61 1rin n ASP 91 Ca 0.17 -2.27 -0.44 0.00 -0.50 0.00 0.00 54.79 51.75 1rin n ASP 91 Cb 0.35 -0.56 -0.03 0.00 -1.14 0.00 0.00 41.12 39.74 1rin n ASP 91 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1rin n THR 92 N 0.15 0.09 -4.37 2.12 5.66 -0.63 -5.01 114.28 112.28 1rin n THR 92 Ca 0.09 -0.02 -0.20 0.00 -3.05 0.00 0.00 64.05 60.87 1rin n THR 92 Cb 0.55 -1.87 -0.10 0.00 -1.55 0.00 0.00 70.33 67.36 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 1.50 1.41 0.32 1.09 1.02 -1.26 -5.08 119.74 118.74 1rin s LYS 93 Ca 0.78 -1.61 -0.29 0.00 0.02 0.00 0.00 55.97 54.88 1rin s LYS 93 Cb -0.56 -1.32 -0.12 0.00 -0.52 0.00 0.00 37.83 35.31 1rin s LYS 93 CO 0.36 0.24 1.36 -2.30 -0.92 0.00 0.00 175.35 174.08 1rin n PRO 94 N -0.33 2.21 0.00 -1.68 -0.02 -1.26 -4.99 135.00 128.92 1rin n PRO 94 Ca -0.08 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1rin n PRO 94 Cb 0.60 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 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 0.99 3.83 -2.36 -0.52 1.13 -0.44 -5.01 117.38 115.00 1rin n GLN 95 Ca 0.06 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.71 1rin n GLN 95 Cb 0.35 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.67 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 3.20 3.35 0.00 5.09 2.01 -1.03 -4.64 115.64 123.63 1rin s THR 96 Ca 0.00 1.27 0.00 0.00 0.31 0.00 0.00 61.69 63.27 1rin s THR 96 Cb 0.00 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.70 1rin s THR 96 CO 0.00 0.26 0.00 0.61 -0.69 0.00 0.00 174.62 174.80 1rin n GLY 97 N 1.50 -0.09 7.00 4.40 0.00 -1.26 -1.22 105.19 115.53 1rin n GLY 97 Ca 0.01 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 4.67 2.37 0.14 -0.02 0.00 -1.26 -0.74 105.19 110.34 1rin n GLY 98 Ca 0.00 0.36 0.12 0.00 0.00 0.00 0.00 46.02 46.50 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 -1.22 0.81 -0.02 0.00 -1.26 -2.24 105.19 101.25 1rin n GLY 99 Ca 0.00 0.11 0.09 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.28 0.49 -0.97 1.61 4.01 0.08 -4.94 117.16 115.15 1rin n TYR 100 Ca 0.01 -0.24 -0.03 0.00 -0.16 0.00 0.00 57.90 57.48 1rin n TYR 100 Cb 0.20 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.22 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 0.78 0.49 0.00 7.72 4.77 -0.95 -2.01 117.00 127.80 1rin n LEU 101 Ca 0.16 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1rin n LEU 101 Cb 0.40 -2.27 0.00 0.00 -2.33 0.00 0.00 43.42 39.22 1rin n LEU 101 CO 0.12 -0.87 0.00 0.61 -1.33 0.00 0.00 177.39 175.92 1rin n GLY 102 N 0.65 0.64 0.00 -0.72 0.00 -0.35 -4.85 105.19 100.56 1rin n GLY 102 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.71 0.00 -4.52 1.61 0.24 -0.85 -1.32 118.33 110.78 1rin n VAL 103 Ca 0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.05 1rin n VAL 103 Cb 0.00 0.23 -0.10 0.00 -1.47 0.00 0.00 33.84 32.50 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 -1.67 2.33 0.00 6.34 0.08 -1.05 -4.81 117.98 119.20 1rin s PHE 104 Ca 0.00 -0.50 0.00 0.00 0.12 0.00 0.00 56.93 56.55 1rin s PHE 104 Cb 0.00 -1.30 0.00 0.00 -0.57 0.00 0.00 43.02 41.15 1rin s PHE 104 CO 0.00 0.56 0.11 0.09 -0.10 0.00 0.00 175.22 175.88 1rin n ASN 105 N -0.75 0.21 -3.48 1.36 3.02 -1.26 -2.46 115.26 111.91 1rin n ASN 105 Ca -0.05 -0.60 -0.10 0.00 -0.03 0.00 0.00 54.58 53.80 1rin n ASN 105 Cb 0.63 0.75 -0.02 0.00 -0.61 0.00 0.00 39.78 40.54 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 -0.75 0.12 0.00 6.41 1.04 -1.26 -4.95 113.70 114.31 1rin s SER 106 Ca 0.00 -1.05 0.24 0.00 0.48 0.00 0.00 55.95 55.62 1rin s SER 106 Cb 0.00 0.71 0.28 0.00 0.10 0.00 0.00 66.02 67.12 1rin s SER 106 CO 0.00 -1.38 1.27 0.00 0.98 0.00 0.00 173.24 174.11 1rin n ALA 107 N -0.48 3.32 -2.61 5.32 0.00 -1.26 -1.88 120.51 122.92 1rin n ALA 107 Ca -0.04 -0.56 -0.38 0.00 0.00 0.00 0.00 53.44 52.46 1rin n ALA 107 Cb 0.61 -0.92 -0.06 0.00 0.00 0.00 0.00 19.45 19.08 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 -2.45 3.85 0.05 0.00 2.02 -1.26 -4.45 118.70 116.46 1rin s GLU 108 Ca 0.21 0.27 -0.36 0.00 0.02 0.00 0.00 54.97 55.12 1rin s GLU 108 Cb 0.19 -3.24 -0.15 0.00 0.10 0.00 0.00 34.13 31.03 1rin s GLU 108 CO 0.53 0.66 1.56 0.98 0.02 0.00 0.00 175.26 179.01 1rin n TYR 109 N 2.06 1.99 -3.73 1.61 4.19 -1.26 -4.70 117.16 117.31 1rin n TYR 109 Ca -0.15 0.39 -0.30 0.00 3.31 0.00 0.00 57.90 61.16 1rin n TYR 109 Cb 0.53 -2.48 -0.15 0.00 0.49 0.00 0.00 39.34 37.74 1rin n TYR 109 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 1rin s ASP 110 N 1.51 3.99 0.56 2.98 2.15 0.25 -5.00 116.67 123.12 1rin s ASP 110 Ca 0.85 -1.75 0.28 0.00 0.43 0.00 0.00 52.55 52.36 1rin s ASP 110 Cb -0.82 -0.89 1.47 0.00 -0.30 0.00 0.00 42.92 42.38 1rin s ASP 110 CO 0.46 -0.40 1.95 0.50 -0.17 0.00 0.00 175.17 177.52 1rin h LYS 111 N 7.93 0.00 -0.61 4.34 3.64 -1.94 -2.29 116.57 127.65 1rin h LYS 111 Ca -0.12 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.36 1rin h LYS 111 Cb 1.01 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.75 1rin h LYS 111 CO 0.47 0.00 0.22 1.15 -2.27 0.00 0.00 179.45 179.02 1rin h THR 112 N 0.00 0.75 -0.35 1.00 2.02 -1.96 -2.77 112.91 111.61 1rin h THR 112 Ca 0.25 -0.14 -0.04 0.00 0.77 0.00 0.00 66.41 67.25 1rin h THR 112 Cb 1.14 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 1rin h THR 112 CO -0.00 0.07 0.04 0.74 0.37 0.00 0.00 175.52 176.74 1rin h THR 113 N 0.40 1.18 -4.43 3.16 2.02 -1.78 -3.46 112.91 110.00 1rin h THR 113 Ca 0.31 -0.70 -0.32 0.00 0.77 0.00 0.00 66.41 66.48 1rin h THR 113 Cb 0.40 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 1rin h THR 113 CO -0.32 0.24 -0.44 -0.62 0.37 0.00 0.00 175.52 174.75 1rin n GLU 114 N -4.31 -2.96 -5.02 6.66 1.02 -1.05 -4.64 120.64 110.34 1rin n GLU 114 Ca 0.02 0.61 -0.32 0.00 -0.02 0.00 0.00 57.16 57.45 1rin n GLU 114 Cb 0.22 -5.29 -0.16 0.00 -0.02 0.00 0.00 31.44 26.19 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 -2.81 2.27 -0.20 2.62 2.01 -1.26 -4.25 115.64 114.02 1rin s THR 115 Ca 0.18 -0.94 -0.06 0.00 0.31 0.00 0.00 61.69 61.18 1rin s THR 115 Cb -0.09 -1.90 -0.03 0.00 0.01 0.00 0.00 72.50 70.49 1rin s THR 115 CO 0.22 0.55 0.04 -0.69 -0.69 0.00 0.00 174.62 174.04 1rin s VAL 116 N 0.44 4.36 0.06 3.82 1.01 -0.83 -1.46 120.40 127.79 1rin s VAL 116 Ca -0.15 -0.18 0.05 0.00 0.00 0.00 0.00 61.98 61.71 1rin s VAL 116 Cb -0.17 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 1rin s VAL 116 CO 0.06 0.42 -0.15 0.00 0.00 0.00 0.00 175.10 175.44 1rin s ALA 117 N 0.86 1.26 -0.31 5.51 0.00 0.06 -1.66 121.76 127.47 1rin s ALA 117 Ca 0.02 -0.95 -0.08 0.00 0.00 0.00 0.00 51.96 50.96 1rin s ALA 117 Cb -0.14 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.83 1rin s ALA 117 CO 0.02 0.22 0.12 0.08 0.00 0.00 0.00 175.76 176.21 1rin s VAL 118 N -1.05 4.28 0.12 0.00 1.01 -0.06 -0.48 120.40 124.21 1rin s VAL 118 Ca 0.01 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.37 1rin s VAL 118 Cb -0.09 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1rin s VAL 118 CO 0.02 0.03 0.27 -1.83 0.00 0.00 0.00 175.10 173.58 1rin s GLU 119 N 1.55 3.45 -0.49 2.72 -1.05 -0.26 -2.05 118.70 122.56 1rin s GLU 119 Ca 0.03 -0.51 0.03 0.00 -0.15 0.00 0.00 54.97 54.37 1rin s GLU 119 Cb -0.17 -2.98 0.14 0.00 -0.44 0.00 0.00 34.13 30.67 1rin s GLU 119 CO 0.04 0.54 0.27 -0.06 0.95 0.00 0.00 175.26 177.00 1rin s PHE 120 N -1.66 2.54 -0.25 4.83 0.08 0.10 -1.69 117.98 121.93 1rin s PHE 120 Ca 0.35 -2.78 -0.16 0.00 0.12 0.00 0.00 56.93 54.46 1rin s PHE 120 Cb -0.12 -2.29 -0.03 0.00 -0.57 0.00 0.00 43.02 40.01 1rin s PHE 120 CO 0.28 -0.75 0.42 0.34 -0.10 0.00 0.00 175.22 175.41 1rin s ASP 121 N -0.03 6.34 0.00 1.36 -1.08 -0.53 -1.45 116.67 121.29 1rin s ASP 121 Ca 0.18 0.40 0.21 0.00 -0.52 0.00 0.00 52.55 52.83 1rin s ASP 121 Cb -0.23 -2.23 0.03 0.00 -1.46 0.00 0.00 42.92 39.03 1rin s ASP 121 CO -0.01 -0.19 1.05 0.35 0.52 0.00 0.00 175.17 176.89 1rin n THR 122 N 4.95 0.00 -4.37 1.71 -2.24 -0.91 -1.93 114.28 111.50 1rin n THR 122 Ca -0.07 -0.33 -0.22 0.00 -2.27 0.00 0.00 64.05 61.15 1rin n THR 122 Cb 0.51 1.29 -0.16 0.00 -2.10 0.00 0.00 70.33 69.86 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 -2.19 1.11 -0.22 4.78 5.36 -1.25 -4.59 117.98 120.98 1rin s PHE 123 Ca 0.19 -0.38 -0.29 0.00 -0.96 0.00 0.00 56.93 55.49 1rin s PHE 123 Cb 0.17 -0.88 0.01 0.00 -0.34 0.00 0.00 43.02 41.98 1rin s PHE 123 CO 0.47 -0.24 1.04 -0.47 -1.46 0.00 0.00 175.22 174.56 1rin s TYR 124 N 0.81 3.35 -0.38 10.12 5.04 -1.26 -4.99 117.35 130.02 1rin s TYR 124 Ca -0.13 1.47 -0.06 0.00 -2.44 0.00 0.00 57.07 55.92 1rin s TYR 124 Cb -0.15 -3.27 0.08 0.00 0.35 0.00 0.00 41.96 38.97 1rin s TYR 124 CO 0.02 -0.48 0.17 -0.80 -1.34 0.00 0.00 175.55 173.12 1rin s ASN 125 N 1.20 5.34 0.46 4.32 -0.87 -1.26 -4.99 114.94 119.14 1rin s ASN 125 Ca 0.44 -1.58 0.33 0.00 -1.57 0.00 0.00 52.86 50.49 1rin s ASN 125 Cb -0.15 -1.87 1.48 0.00 -0.02 0.00 0.00 41.25 40.69 1rin s ASN 125 CO 0.07 -0.46 1.61 0.00 -2.57 0.00 0.00 177.10 175.75 1rin h ALA 126 N 8.20 2.91 0.00 0.60 0.00 -1.94 -0.37 119.26 128.66 1rin h ALA 126 Ca -0.20 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1rin h ALA 126 Cb 1.07 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1rin h ALA 126 CO 0.68 -1.54 -0.26 0.00 0.00 0.00 0.00 179.25 178.13 1rin h ALA 127 N 1.52 1.16 0.00 0.00 0.00 -2.02 -3.39 119.26 116.53 1rin h ALA 127 Ca 0.84 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.51 1rin h ALA 127 Cb 2.77 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.52 1rin h ALA 127 CO -0.36 0.33 0.00 -2.67 0.00 0.00 0.00 179.25 176.54 1rin n TRP 128 N -3.63 0.00 -2.36 0.00 2.14 -0.89 -5.09 117.44 107.61 1rin n TRP 128 Ca -0.01 0.00 -0.33 0.00 2.07 0.00 0.00 57.50 59.24 1rin n TRP 128 Cb 0.39 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.86 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 0.00 6.40 0.18 -0.67 1.01 -0.20 -4.71 116.67 118.69 1rin s ASP 129 Ca 0.00 1.69 -0.33 0.00 0.71 0.00 0.00 52.55 54.62 1rin s ASP 129 Cb 0.00 -2.52 -0.15 0.00 1.01 0.00 0.00 42.92 41.25 1rin s ASP 129 CO 0.00 -0.74 1.18 -2.65 0.21 0.00 0.00 175.17 173.17 1rin n PRO 130 N -1.54 1.24 -0.16 8.23 -0.02 -1.26 -4.83 135.00 136.65 1rin n PRO 130 Ca 0.07 0.44 0.26 0.00 -2.02 0.00 0.00 63.50 62.25 1rin n PRO 130 Cb 0.54 -1.95 0.69 0.00 -0.02 0.00 0.00 33.50 32.75 1rin n PRO 130 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1rin h SER 131 N 3.40 0.06 0.29 2.55 0.87 -1.96 -0.53 113.55 118.24 1rin h SER 131 Ca -0.43 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 1rin h SER 131 Cb 1.34 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 1rin h SER 131 CO 0.70 0.02 0.00 -0.46 -0.53 0.00 0.00 176.83 176.57 1rin n ASN 132 N -4.32 0.00 -0.95 6.23 0.23 -1.26 -4.86 115.26 110.33 1rin n ASN 132 Ca 0.17 0.10 -0.12 0.00 -0.53 0.00 0.00 54.58 54.20 1rin n ASN 132 Cb 0.87 -0.30 -0.05 0.00 -2.08 0.00 0.00 39.78 38.22 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 -1.30 -1.48 -2.36 -3.83 1.74 -0.21 -4.99 116.66 104.23 1rin n ARG 133 Ca 0.07 0.92 -0.31 0.00 -0.77 0.00 0.00 57.85 57.75 1rin n ARG 133 Cb 0.12 -5.23 -0.02 0.00 -1.02 0.00 0.00 32.46 26.31 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 -2.52 6.49 0.40 0.55 1.01 -1.26 -4.77 116.67 116.57 1rin s ASP 134 Ca 0.00 1.42 -0.25 0.00 0.71 0.00 0.00 52.55 54.44 1rin s ASP 134 Cb 0.00 -2.45 -0.08 0.00 1.01 0.00 0.00 42.92 41.39 1rin s ASP 134 CO 0.00 -0.62 1.13 -0.13 0.21 0.00 0.00 175.17 175.76 1rin s ARG 135 N -4.33 4.07 0.11 8.23 0.52 -1.26 -4.87 118.95 121.43 1rin s ARG 135 Ca 0.56 1.73 -0.14 0.00 -0.52 0.00 0.00 55.73 57.36 1rin s ARG 135 Cb -0.10 -2.62 0.03 0.00 0.52 0.00 0.00 34.95 32.77 1rin s ARG 135 CO 0.37 -0.28 0.35 -3.38 0.02 0.00 0.00 175.30 172.38 1rin s HIS 136 N -1.49 -0.11 0.18 -0.53 -3.43 -0.81 -0.30 115.29 108.79 1rin s HIS 136 Ca 0.58 -0.23 -0.10 0.00 -0.80 0.00 0.00 55.06 54.50 1rin s HIS 136 Cb -0.28 0.18 -0.07 0.00 -1.43 0.00 0.00 32.58 30.98 1rin s HIS 136 CO 0.35 -0.66 0.51 0.42 -2.00 0.00 0.00 174.74 173.37 1rin s ILE 137 N -3.79 4.95 0.03 -5.38 1.01 0.51 -1.45 121.20 117.09 1rin s ILE 137 Ca 0.03 0.53 -0.19 0.00 0.00 0.00 0.00 60.65 61.02 1rin s ILE 137 Cb 0.03 -3.65 0.04 0.00 0.01 0.00 0.00 42.46 38.88 1rin s ILE 137 CO -0.12 0.07 0.42 -0.83 0.00 0.00 0.00 174.94 174.48 1rin s GLY 138 N -2.12 -0.29 -0.28 6.18 0.00 -0.68 -0.91 107.32 109.22 1rin s GLY 138 Ca 0.42 0.38 -0.07 0.00 0.00 0.00 0.00 44.72 45.46 1rin s GLY 138 CO 0.21 0.12 0.07 -0.42 0.00 0.00 0.00 173.10 173.07 1rin s ILE 139 N -2.28 4.01 -0.24 0.90 1.01 -0.18 -1.11 121.20 123.30 1rin s ILE 139 Ca -0.06 -0.53 -0.06 0.00 0.00 0.00 0.00 60.65 59.99 1rin s ILE 139 Cb -0.01 -3.00 -0.02 0.00 0.01 0.00 0.00 42.46 39.44 1rin s ILE 139 CO -0.01 0.18 0.04 -1.81 0.00 0.00 0.00 174.94 173.34 1rin s ASP 140 N 1.53 4.87 -0.35 3.58 1.01 0.37 -0.51 116.67 127.16 1rin s ASP 140 Ca 0.04 -0.31 0.00 0.00 0.71 0.00 0.00 52.55 52.99 1rin s ASP 140 Cb -0.16 -1.86 0.09 0.00 1.01 0.00 0.00 42.92 41.99 1rin s ASP 140 CO 0.02 -0.04 0.08 -0.69 0.21 0.00 0.00 175.17 174.75 1rin s VAL 141 N 1.56 2.80 -1.59 -1.27 1.01 -1.26 -0.76 120.40 120.89 1rin s VAL 141 Ca 0.06 -1.97 0.00 0.00 0.00 0.00 0.00 61.98 60.07 1rin s VAL 141 Cb -0.15 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.36 1rin s VAL 141 CO 0.01 -0.48 0.00 0.59 0.00 0.00 0.00 175.10 175.22 1rin n ASN 142 N 4.48 -4.74 -3.59 3.32 5.03 -0.53 -4.82 115.26 114.40 1rin n ASN 142 Ca -0.04 0.23 -0.15 0.00 0.87 0.00 0.00 54.58 55.49 1rin n ASN 142 Cb 0.42 -4.10 -0.07 0.00 -1.02 0.00 0.00 39.78 35.01 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 -2.21 -0.71 0.00 6.41 0.15 -1.26 -0.58 113.70 115.50 1rin s SER 143 Ca 0.00 1.19 0.25 0.00 0.70 0.00 0.00 55.95 58.09 1rin s SER 143 Cb 0.00 1.14 1.17 0.00 -1.71 0.00 0.00 66.02 66.62 1rin s SER 143 CO 0.00 -0.37 1.83 0.00 1.20 0.00 0.00 173.24 175.90 1rin n ILE 144 N 2.07 0.24 -2.90 6.45 0.13 -0.79 -4.48 119.36 120.08 1rin n ILE 144 Ca -0.16 0.06 -0.43 0.00 -1.10 0.00 0.00 62.75 61.12 1rin n ILE 144 Cb 0.56 -0.63 -0.04 0.00 -0.84 0.00 0.00 39.64 38.68 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 -2.80 3.13 0.44 9.51 2.20 -1.26 -4.91 119.74 126.05 1rin s LYS 145 Ca 0.18 -0.83 -0.24 0.00 -0.36 0.00 0.00 55.97 54.72 1rin s LYS 145 Cb 0.17 -4.20 -0.09 0.00 -1.51 0.00 0.00 37.83 32.19 1rin s LYS 145 CO 0.42 -1.71 1.16 0.43 -0.36 0.00 0.00 175.35 175.30 1rin n SER 146 N 7.42 1.97 0.23 1.43 7.64 -1.26 -4.80 113.62 126.25 1rin n SER 146 Ca -0.04 1.05 0.12 0.00 1.01 0.00 0.00 58.87 61.01 1rin n SER 146 Cb 0.45 -1.44 0.39 0.00 -1.01 0.00 0.00 64.21 62.60 1rin n SER 146 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1rin h VAL 147 N 1.73 0.29 -2.39 0.44 -1.51 -1.17 -3.45 116.25 110.20 1rin h VAL 147 Ca -0.47 -1.07 -0.08 0.00 -1.23 0.00 0.00 66.70 63.85 1rin h VAL 147 Cb 1.32 1.85 -0.21 0.00 -2.13 0.00 0.00 31.29 32.11 1rin h VAL 147 CO 0.58 0.14 -0.03 0.21 -1.23 0.00 0.00 177.57 177.24 1rin s ASN 148 N -6.09 -0.53 0.09 4.19 3.84 -1.23 -4.98 114.94 110.23 1rin s ASN 148 Ca 0.03 0.82 0.00 0.00 0.21 0.00 0.00 52.86 53.92 1rin s ASN 148 Cb 0.08 0.82 -0.04 0.00 -0.55 0.00 0.00 41.25 41.56 1rin s ASN 148 CO 0.63 -0.36 -0.04 0.42 -2.79 0.00 0.00 177.10 174.97 1rin s THR 149 N -0.43 0.46 -0.05 -5.21 -4.23 -1.26 -1.02 115.64 103.90 1rin s THR 149 Ca -0.06 -1.89 -0.02 0.00 -1.18 0.00 0.00 61.69 58.54 1rin s THR 149 Cb -0.03 -1.68 0.03 0.00 1.34 0.00 0.00 72.50 72.16 1rin s THR 149 CO 0.04 -0.86 0.11 -0.75 -0.54 0.00 0.00 174.62 172.62 1rin s LYS 150 N -3.89 0.06 0.35 3.99 2.47 -0.09 -4.95 119.74 117.68 1rin s LYS 150 Ca 0.12 0.30 -0.29 0.00 -1.56 0.00 0.00 55.97 54.54 1rin s LYS 150 Cb 0.07 -0.16 -0.11 0.00 -1.46 0.00 0.00 37.83 36.16 1rin s LYS 150 CO -0.06 -0.15 1.48 -1.12 0.16 0.00 0.00 175.35 175.67 1rin s SER 151 N 1.00 6.42 -0.03 1.43 0.01 -1.26 -0.36 113.70 120.90 1rin s SER 151 Ca -0.08 2.97 0.01 0.00 1.31 0.00 0.00 55.95 60.16 1rin s SER 151 Cb -0.10 -2.66 0.03 0.00 0.21 0.00 0.00 66.02 63.49 1rin s SER 151 CO -0.04 -0.83 -0.01 0.86 0.41 0.00 0.00 173.24 173.63 1rin s TRP 152 N -0.86 0.35 -0.57 2.43 -0.00 0.59 -4.78 118.94 116.11 1rin s TRP 152 Ca 0.55 -0.02 -0.22 0.00 -0.00 0.00 0.00 56.10 56.41 1rin s TRP 152 Cb -0.46 -0.42 0.06 0.00 -0.00 0.00 0.00 33.47 32.65 1rin s TRP 152 CO 0.58 -0.13 0.83 0.21 -0.00 0.00 0.00 176.95 178.44 1rin s LYS 153 N 0.96 3.18 -0.04 5.86 2.47 -1.26 -4.16 119.74 126.74 1rin s LYS 153 Ca -0.10 -0.71 -0.35 0.00 -1.56 0.00 0.00 55.97 53.25 1rin s LYS 153 Cb -0.13 -4.14 -0.13 0.00 -1.46 0.00 0.00 37.83 31.97 1rin s LYS 153 CO -0.01 -1.51 1.79 -0.11 0.16 0.00 0.00 175.35 175.67 1rin n LEU 154 N 7.03 3.23 -4.30 5.43 7.94 -1.26 -4.95 117.00 130.13 1rin n LEU 154 Ca -0.03 1.01 -0.45 0.00 -1.11 0.00 0.00 56.01 55.42 1rin n LEU 154 Cb 0.46 -1.36 -0.05 0.00 0.53 0.00 0.00 43.42 43.00 1rin n LEU 154 CO 0.60 -0.17 0.16 -1.10 -1.11 0.00 0.00 177.39 175.78 1rin s GLN 155 N 3.21 3.01 0.25 1.96 -0.21 -1.26 -5.05 119.66 121.57 1rin s GLN 155 Ca 0.90 -1.85 -0.31 0.00 0.02 0.00 0.00 55.36 54.12 1rin s GLN 155 Cb -0.73 -4.26 -0.12 0.00 1.00 0.00 0.00 33.01 28.90 1rin s GLN 155 CO 0.49 -1.30 1.64 -1.71 -2.12 0.00 0.00 175.29 172.29 1rin n ASN 156 N 4.98 3.81 0.00 5.90 5.15 -1.26 -1.83 115.26 132.01 1rin n ASN 156 Ca -0.09 1.11 0.00 0.00 -0.60 0.00 0.00 54.58 55.00 1rin n ASN 156 Cb 0.41 -1.57 0.00 0.00 -0.53 0.00 0.00 39.78 38.09 1rin n ASN 156 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1rin n GLY 157 N 2.97 2.73 3.90 8.20 0.00 -0.05 -5.00 105.19 117.94 1rin n GLY 157 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.00 3.63 -0.15 1.61 0.41 -0.76 -4.92 118.70 118.51 1rin s GLU 158 Ca 0.00 0.12 -0.22 0.00 -0.41 0.00 0.00 54.97 54.47 1rin s GLU 158 Cb 0.00 -2.52 -0.03 0.00 -1.78 0.00 0.00 34.13 29.80 1rin s GLU 158 CO 0.00 0.04 0.66 -1.21 -0.49 0.00 0.00 175.26 174.26 1rin s GLU 159 N -4.00 4.29 -0.21 1.61 2.02 -1.26 -4.32 118.70 116.82 1rin s GLU 159 Ca 0.46 0.72 -0.08 0.00 0.02 0.00 0.00 54.97 56.09 1rin s GLU 159 Cb -0.10 -3.53 -0.04 0.00 0.10 0.00 0.00 34.13 30.55 1rin s GLU 159 CO 0.35 -0.14 0.08 0.00 0.02 0.00 0.00 175.26 175.57 1rin s ALA 160 N 1.56 3.38 -0.33 5.21 0.00 -0.43 -4.41 121.76 126.73 1rin s ALA 160 Ca 0.32 -0.88 -0.12 0.00 0.00 0.00 0.00 51.96 51.28 1rin s ALA 160 Cb -0.16 -2.04 -0.02 0.00 0.00 0.00 0.00 23.12 20.90 1rin s ALA 160 CO 0.12 -0.08 0.22 -0.80 0.00 0.00 0.00 175.76 175.22 1rin s ASN 161 N 0.85 5.93 0.03 0.00 0.02 -0.43 -1.43 114.94 119.91 1rin s ASN 161 Ca 0.04 -0.43 0.02 0.00 -1.02 0.00 0.00 52.86 51.48 1rin s ASN 161 Cb -0.13 -2.10 -0.04 0.00 0.02 0.00 0.00 41.25 38.99 1rin s ASN 161 CO 0.02 -0.22 0.02 -0.69 0.02 0.00 0.00 177.10 176.26 1rin s VAL 162 N 1.70 4.21 -0.05 1.60 1.01 0.02 -0.83 120.40 128.06 1rin s VAL 162 Ca 0.06 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 1rin s VAL 162 Cb -0.17 -2.94 0.03 0.00 0.00 0.00 0.00 36.38 33.30 1rin s VAL 162 CO 0.09 0.28 0.03 -0.69 0.00 0.00 0.00 175.10 174.81 1rin s VAL 163 N -1.19 0.14 -0.14 2.92 1.01 -0.68 -2.02 120.40 120.44 1rin s VAL 163 Ca 0.23 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.45 1rin s VAL 163 Cb -0.12 -0.32 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 1rin s VAL 163 CO 0.14 0.20 -0.15 -0.63 0.00 0.00 0.00 175.10 174.67 1rin s ILE 164 N 1.86 2.82 0.04 2.22 1.01 -0.01 -1.23 121.20 127.91 1rin s ILE 164 Ca 0.02 -0.73 0.05 0.00 0.00 0.00 0.00 60.65 59.98 1rin s ILE 164 Cb -0.12 -2.18 -0.02 0.00 0.01 0.00 0.00 42.46 40.15 1rin s ILE 164 CO -0.04 0.52 -0.13 0.00 0.00 0.00 0.00 174.94 175.29 1rin s ALA 165 N 0.52 1.12 -0.13 9.38 0.00 -0.39 -0.42 121.76 131.84 1rin s ALA 165 Ca -0.10 -0.79 -0.01 0.00 0.00 0.00 0.00 51.96 51.06 1rin s ALA 165 Cb -0.16 -0.17 0.03 0.00 0.00 0.00 0.00 23.12 22.82 1rin s ALA 165 CO 0.04 0.21 -0.05 0.12 0.00 0.00 0.00 175.76 176.08 1rin s PHE 166 N -0.83 1.44 -0.28 0.00 5.36 0.41 -1.32 117.98 122.75 1rin s PHE 166 Ca 0.01 -0.79 -0.16 0.00 -0.96 0.00 0.00 56.93 55.03 1rin s PHE 166 Cb -0.08 -1.20 -0.03 0.00 -0.34 0.00 0.00 43.02 41.38 1rin s PHE 166 CO 0.01 -0.53 0.43 1.21 -1.46 0.00 0.00 175.22 174.88 1rin s ASN 167 N 1.72 6.31 0.32 6.13 3.84 -0.89 -1.95 114.94 130.41 1rin s ASN 167 Ca 0.03 0.29 0.12 0.00 0.21 0.00 0.00 52.86 53.51 1rin s ASN 167 Cb -0.14 -2.24 0.52 0.00 -0.55 0.00 0.00 41.25 38.84 1rin s ASN 167 CO -0.08 -0.26 1.71 0.00 -2.79 0.00 0.00 177.10 175.68 1rin h ALA 168 N 8.18 1.15 -0.39 1.71 0.00 -1.87 0.18 119.26 128.22 1rin h ALA 168 Ca -0.30 -0.46 -0.15 0.00 0.00 0.00 0.00 54.91 53.99 1rin h ALA 168 Cb 1.15 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1rin h ALA 168 CO 0.68 0.64 -0.36 0.00 0.00 0.00 0.00 179.25 180.21 1rin h ALA 169 N 1.49 0.62 0.00 0.00 0.00 -1.93 -3.27 119.26 116.17 1rin h ALA 169 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1rin h ALA 169 Cb 0.91 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1rin h ALA 169 CO 0.07 0.68 -1.41 2.41 0.00 0.00 0.00 179.25 181.00 1rin n THR 170 N -4.06 0.06 -2.18 0.00 -1.04 -1.20 -4.98 114.28 100.88 1rin n THR 170 Ca -0.02 -0.28 -0.20 0.00 -2.04 0.00 0.00 64.05 61.51 1rin n THR 170 Cb 0.53 0.36 -0.03 0.00 -1.82 0.00 0.00 70.33 69.37 1rin n THR 170 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1rin n ASN 171 N -1.95 -5.68 -4.65 8.00 3.02 0.62 -4.99 115.26 109.63 1rin n ASN 171 Ca 0.00 0.14 -0.38 0.00 -0.03 0.00 0.00 54.58 54.31 1rin n ASN 171 Cb 0.46 -4.81 -0.08 0.00 -0.61 0.00 0.00 39.78 34.74 1rin n ASN 171 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1rin s VAL 172 N -2.94 5.24 -0.23 2.41 1.01 -1.15 -4.93 120.40 119.81 1rin s VAL 172 Ca 0.00 0.53 -0.12 0.00 0.00 0.00 0.00 61.98 62.40 1rin s VAL 172 Cb 0.00 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 1rin s VAL 172 CO 0.00 0.25 0.22 -0.22 0.00 0.00 0.00 175.10 175.35 1rin s LEU 173 N 1.43 4.13 -0.06 3.92 2.96 -1.26 -2.10 118.68 127.70 1rin s LEU 173 Ca 0.15 0.21 0.06 0.00 -0.22 0.00 0.00 54.13 54.33 1rin s LEU 173 Cb -0.15 -2.20 -0.01 0.00 0.50 0.00 0.00 46.19 44.33 1rin s LEU 173 CO 0.08 0.03 -0.25 -0.89 -1.32 0.00 0.00 176.35 174.00 1rin s THR 174 N 1.11 2.09 -0.05 3.68 2.01 -0.44 -4.99 115.64 119.04 1rin s THR 174 Ca 0.10 -1.05 0.06 0.00 0.31 0.00 0.00 61.69 61.11 1rin s THR 174 Cb -0.14 -1.76 -0.01 0.00 0.01 0.00 0.00 72.50 70.60 1rin s THR 174 CO 0.05 0.57 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.62 1rin s VAL 175 N -0.14 2.12 -0.02 3.82 1.01 -1.26 -1.26 120.40 124.67 1rin s VAL 175 Ca -0.04 -1.05 -0.00 0.00 0.00 0.00 0.00 61.98 60.88 1rin s VAL 175 Cb -0.14 -1.76 0.03 0.00 0.00 0.00 0.00 36.38 34.50 1rin s VAL 175 CO 0.04 0.57 0.04 -0.94 0.00 0.00 0.00 175.10 174.81 1rin s SER 176 N -0.23 0.04 -0.14 3.32 1.04 -0.36 -5.00 113.70 112.37 1rin s SER 176 Ca -0.01 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.48 1rin s SER 176 Cb -0.13 -0.03 -0.01 0.00 0.10 0.00 0.00 66.02 65.95 1rin s SER 176 CO 0.03 -0.11 -0.15 -0.22 0.98 0.00 0.00 173.24 173.77 1rin s LEU 177 N 0.93 2.56 -0.09 2.42 0.20 -1.26 -1.68 118.68 121.75 1rin s LEU 177 Ca -0.08 -0.41 0.02 0.00 0.69 0.00 0.00 54.13 54.35 1rin s LEU 177 Cb -0.11 -1.57 0.01 0.00 -0.43 0.00 0.00 46.19 44.09 1rin s LEU 177 CO -0.03 0.13 -0.15 -0.89 -0.29 0.00 0.00 176.35 175.12 1rin s THR 178 N 0.58 1.45 0.19 3.68 2.01 -0.01 -4.96 115.64 118.58 1rin s THR 178 Ca -0.09 -0.63 0.01 0.00 0.31 0.00 0.00 61.69 61.28 1rin s THR 178 Cb -0.16 -1.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.00 1rin s THR 178 CO 0.03 0.43 0.36 -0.31 -0.69 0.00 0.00 174.62 174.45 1rin s TYR 179 N 0.83 3.48 -2.00 4.92 2.02 -1.26 -1.32 117.35 124.02 1rin s TYR 179 Ca -0.10 0.26 0.04 0.00 -0.37 0.00 0.00 57.07 56.89 1rin s TYR 179 Cb -0.15 -1.78 0.25 0.00 -0.40 0.00 0.00 41.96 39.87 1rin s TYR 179 CO 0.01 0.41 0.72 -2.30 -1.57 0.00 0.00 175.55 172.83