#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1r n ARG 2 N 0.00 0.00 0.03 1.43 5.12 -1.26 -2.77 116.66 119.21 3i1r n ARG 2 Ca 0.00 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 55.73 3i1r n ARG 2 Cb 0.00 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 31.19 3i1r n ARG 2 CO 0.00 0.00 0.00 -0.24 -1.93 0.00 0.00 177.63 175.46 3i1r h VAL 3 N 0.00 1.34 -0.02 1.55 3.04 -1.97 -3.23 116.25 116.96 3i1r h VAL 3 Ca 0.00 -2.18 -0.20 0.00 -1.01 0.00 0.00 66.70 63.32 3i1r h VAL 3 Cb 0.00 2.47 -0.01 0.00 -2.01 0.00 0.00 31.29 31.74 3i1r h VAL 3 CO 0.00 0.66 -0.84 0.00 -1.01 0.00 0.00 177.57 176.38 3i1r h ALA 4 N 0.37 0.52 0.00 3.17 0.00 -1.75 -2.89 119.26 118.67 3i1r h ALA 4 Ca -0.11 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.13 3i1r h ALA 4 Cb 1.54 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3i1r h ALA 4 CO 0.17 0.83 0.00 1.63 0.00 0.00 0.00 179.25 181.88 3i1r n LYS 5 N -3.75 0.53 -3.48 0.00 5.02 -1.24 -4.27 118.16 110.98 3i1r n LYS 5 Ca -0.05 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.90 3i1r n LYS 5 Cb 0.77 -1.26 -0.06 0.00 -0.02 0.00 0.00 35.03 34.47 3i1r n LYS 5 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1r s ALA 6 N -2.00 3.65 0.00 7.82 0.00 -1.09 -4.93 121.76 125.21 3i1r s ALA 6 Ca 0.13 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.81 3i1r s ALA 6 Cb 0.06 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 20.80 3i1r s ALA 6 CO 0.10 0.52 0.00 -0.35 0.00 0.00 0.00 175.76 176.03 3i1r n PRO 7 N 0.70 0.00 0.00 0.00 -0.04 -1.26 -4.73 135.00 129.66 3i1r n PRO 7 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 3i1r n PRO 7 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 3i1r n PRO 7 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 3i1r n VAL 8 N 0.00 0.00 -1.75 0.52 3.14 -1.26 -4.67 118.33 114.31 3i1r n VAL 8 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3i1r n VAL 8 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3i1r n VAL 8 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 3i1r n VAL 9 N 0.00 -5.35 -3.49 1.55 3.14 -1.26 -4.89 118.33 108.02 3i1r n VAL 9 Ca 0.00 1.43 -0.42 0.00 -2.96 0.00 0.00 64.34 62.39 3i1r n VAL 9 Cb 0.00 -2.48 -0.05 0.00 -1.06 0.00 0.00 33.84 30.25 3i1r n VAL 9 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 3i1r s VAL 10 N -0.39 4.83 0.08 1.55 -7.23 0.10 -4.93 120.40 114.42 3i1r s VAL 10 Ca 0.00 -2.76 -0.36 0.00 -1.81 0.00 0.00 61.98 57.06 3i1r s VAL 10 Cb 0.00 -4.03 -0.18 0.00 0.56 0.00 0.00 36.38 32.72 3i1r s VAL 10 CO 0.00 -0.98 0.94 -2.65 -0.31 0.00 0.00 175.10 172.10 3i1r n PRO 11 N 3.67 0.20 -1.66 4.82 -0.02 -1.26 -4.69 135.00 136.05 3i1r n PRO 11 Ca 0.12 0.07 -0.56 0.00 -2.02 0.00 0.00 63.50 61.11 3i1r n PRO 11 Cb 0.43 -1.44 -0.07 0.00 -0.02 0.00 0.00 33.50 32.40 3i1r n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i1r n ALA 12 N 1.12 -0.66 0.00 3.55 0.00 -1.26 -1.75 120.51 121.51 3i1r n ALA 12 Ca 0.19 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.07 3i1r n ALA 12 Cb 0.15 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.47 3i1r n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1r n GLY 13 N 3.52 1.29 3.90 0.00 0.00 -1.26 -5.07 105.19 107.57 3i1r n GLY 13 Ca 0.24 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.98 3i1r n GLY 13 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i1r s VAL 14 N -0.85 3.84 -0.23 1.61 -7.23 -0.72 -4.42 120.40 112.41 3i1r s VAL 14 Ca 0.00 0.21 -0.14 0.00 -1.81 0.00 0.00 61.98 60.24 3i1r s VAL 14 Cb 0.00 -3.54 -0.09 0.00 0.56 0.00 0.00 36.38 33.30 3i1r s VAL 14 CO 0.00 -0.60 -0.34 -0.90 -0.31 0.00 0.00 175.10 172.95 3i1r n ASP 15 N -2.66 1.87 -2.82 4.85 5.68 -0.99 -4.99 116.55 117.48 3i1r n ASP 15 Ca 0.05 0.32 -0.01 0.00 -0.50 0.00 0.00 54.79 54.65 3i1r n ASP 15 Cb 0.57 -0.76 -0.01 0.00 -1.14 0.00 0.00 41.12 39.79 3i1r n ASP 15 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 3i1r n VAL 16 N -4.25 -9.65 -3.87 2.12 0.31 -1.22 -4.99 118.33 96.77 3i1r n VAL 16 Ca -0.39 1.62 -0.33 0.00 -0.01 0.00 0.00 64.34 65.23 3i1r n VAL 16 Cb 0.75 -5.90 -0.13 0.00 -0.91 0.00 0.00 33.84 27.65 3i1r n VAL 16 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3i1r s LYS 17 N -1.33 2.09 -0.65 5.55 2.20 0.95 -4.96 119.74 123.59 3i1r s LYS 17 Ca -0.03 -2.41 -0.21 0.00 -0.36 0.00 0.00 55.97 52.95 3i1r s LYS 17 Cb 0.00 -3.46 0.09 0.00 -1.51 0.00 0.00 37.83 32.95 3i1r s LYS 17 CO 0.59 -1.10 0.89 -1.50 -0.36 0.00 0.00 175.35 173.87 3i1r s ILE 18 N 0.09 4.51 -0.75 5.43 2.07 -1.26 -2.89 121.20 128.40 3i1r s ILE 18 Ca 0.15 -0.65 -0.15 0.00 -1.41 0.00 0.00 60.65 58.59 3i1r s ILE 18 Cb -0.23 -4.63 0.18 0.00 0.13 0.00 0.00 42.46 37.91 3i1r s ILE 18 CO -0.03 -1.35 0.74 0.21 -1.91 0.00 0.00 174.94 172.60 3i1r s ASN 19 N 3.66 6.57 0.07 4.50 2.47 -1.22 -4.91 114.94 126.08 3i1r s ASN 19 Ca 0.19 -2.30 0.00 0.00 0.42 0.00 0.00 52.86 51.17 3i1r s ASN 19 Cb -0.18 -2.24 0.00 0.00 -1.45 0.00 0.00 41.25 37.38 3i1r s ASN 19 CO 0.08 -0.74 0.00 0.61 -3.72 0.00 0.00 177.10 173.32 3i1r n GLY 20 N 4.54 1.26 0.00 1.21 0.00 -1.26 -2.31 105.19 108.63 3i1r n GLY 20 Ca 0.07 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.39 3i1r n GLY 20 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i1r n GLN 21 N 0.00 1.90 -3.84 1.61 -0.06 -1.26 -4.95 117.38 110.78 3i1r n GLN 21 Ca 0.00 -1.18 -0.31 0.00 -2.00 0.00 0.00 57.00 53.50 3i1r n GLN 21 Cb 0.00 -0.94 -0.11 0.00 -4.06 0.00 0.00 30.24 25.13 3i1r n GLN 21 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 3i1r s VAL 22 N -0.69 3.17 0.37 1.69 1.01 -0.98 -2.75 120.40 122.22 3i1r s VAL 22 Ca 0.00 -3.67 -0.27 0.00 0.00 0.00 0.00 61.98 58.04 3i1r s VAL 22 Cb 0.00 -3.09 -0.09 0.00 0.00 0.00 0.00 36.38 33.20 3i1r s VAL 22 CO 0.00 -0.93 1.27 -0.63 0.00 0.00 0.00 175.10 174.81 3i1r s ILE 23 N -0.81 2.79 -0.04 2.22 1.09 -1.11 -3.45 121.20 121.88 3i1r s ILE 23 Ca 0.21 0.74 0.01 0.00 -1.10 0.00 0.00 60.65 60.51 3i1r s ILE 23 Cb -0.15 -3.45 0.02 0.00 -1.06 0.00 0.00 42.46 37.82 3i1r s ILE 23 CO -0.08 0.13 -0.04 -0.89 -0.10 0.00 0.00 174.94 173.97 3i1r s THR 24 N -1.23 0.49 -0.18 2.92 2.01 -1.14 -1.24 115.64 117.27 3i1r s THR 24 Ca 0.53 -0.09 -0.03 0.00 0.31 0.00 0.00 61.69 62.41 3i1r s THR 24 Cb -0.37 -0.53 0.06 0.00 0.01 0.00 0.00 72.50 71.67 3i1r s THR 24 CO 0.48 0.22 0.05 -0.63 -0.69 0.00 0.00 174.62 174.05 3i1r s ILE 25 N 0.98 0.37 -0.06 1.82 1.01 -0.94 -0.03 121.20 124.35 3i1r s ILE 25 Ca -0.10 -0.43 0.05 0.00 0.00 0.00 0.00 60.65 60.17 3i1r s ILE 25 Cb -0.14 -0.90 -0.00 0.00 0.01 0.00 0.00 42.46 41.43 3i1r s ILE 25 CO -0.00 -0.20 -0.21 -1.59 0.00 0.00 0.00 174.94 172.93 3i1r s LYS 26 N 1.93 2.30 0.00 2.79 -2.85 -1.26 -3.78 119.74 118.86 3i1r s LYS 26 Ca 0.00 -0.76 0.00 0.00 -1.00 0.00 0.00 55.97 54.21 3i1r s LYS 26 Cb -0.17 -1.91 0.00 0.00 -2.06 0.00 0.00 37.83 33.69 3i1r s LYS 26 CO -0.08 0.27 0.00 0.41 0.10 0.00 0.00 175.35 176.05 3i1r n GLY 27 N 3.18 5.82 0.00 0.59 0.00 -1.26 -2.36 105.19 111.16 3i1r n GLY 27 Ca -0.18 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.13 3i1r n GLY 27 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i1r n LYS 28 N 0.00 0.00 0.00 1.61 4.81 -0.94 -4.51 118.16 119.12 3i1r n LYS 28 Ca 0.00 0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 3i1r n LYS 28 Cb 0.00 -0.25 0.00 0.00 0.02 0.00 0.00 35.03 34.80 3i1r n LYS 28 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 3i1r n ASN 29 N -0.40 0.00 -2.24 3.14 0.23 -1.03 -5.04 115.26 109.92 3i1r n ASN 29 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 3i1r n ASN 29 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 3i1r n ASN 29 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3i1r n GLY 30 N 5.00 -4.70 3.55 4.83 0.00 -1.26 -4.63 105.19 107.97 3i1r n GLY 30 Ca 0.00 0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 3i1r n GLY 30 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i1r n GLU 31 N 1.89 0.81 0.00 1.61 4.07 -1.26 -4.22 120.64 123.54 3i1r n GLU 31 Ca 0.00 -1.99 0.00 0.00 -0.06 0.00 0.00 57.16 55.11 3i1r n GLU 31 Cb 0.00 -3.70 0.00 0.00 -0.06 0.00 0.00 31.44 27.68 3i1r n GLU 31 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 3i1r n LEU 32 N 16.21 0.00 0.00 4.31 4.32 -1.26 -4.90 117.00 135.67 3i1r n LEU 32 Ca 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.43 3i1r n LEU 32 Cb 0.46 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.26 3i1r n LEU 32 CO 0.70 0.00 0.00 0.35 -1.22 0.00 0.00 177.39 177.22 3i1r n THR 33 N 0.00 0.00 -3.88 -5.08 -2.24 -1.25 -4.72 114.28 97.11 3i1r n THR 33 Ca 0.00 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.62 3i1r n THR 33 Cb 0.00 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.07 3i1r n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i1r s ARG 34 N -5.16 0.19 0.46 -0.78 3.03 -1.26 -2.22 118.95 113.21 3i1r s ARG 34 Ca 0.00 0.10 0.01 0.00 2.03 0.00 0.00 55.73 57.88 3i1r s ARG 34 Cb 0.00 -0.40 -0.01 0.00 -1.03 0.00 0.00 34.95 33.52 3i1r s ARG 34 CO 0.00 -0.14 0.05 0.25 -1.13 0.00 0.00 175.30 174.33 3i1r n THR 35 N 4.11 0.00 -4.24 4.99 -2.24 -0.37 -4.99 114.28 111.54 3i1r n THR 35 Ca -0.27 -2.33 -0.20 0.00 -2.27 0.00 0.00 64.05 58.98 3i1r n THR 35 Cb 0.51 0.60 -0.12 0.00 -2.10 0.00 0.00 70.33 69.21 3i1r n THR 35 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3i1r s LEU 36 N 0.00 2.26 0.00 3.22 2.01 -1.26 -2.76 118.68 122.14 3i1r s LEU 36 Ca 0.07 -0.59 0.00 0.00 0.01 0.00 0.00 54.13 53.62 3i1r s LEU 36 Cb 0.00 -0.60 0.00 0.00 0.01 0.00 0.00 46.19 45.60 3i1r s LEU 36 CO 0.05 -0.03 0.00 0.59 1.01 0.00 0.00 176.35 177.97 3i1r n ASN 37 N 1.39 1.90 0.00 2.29 4.13 -1.11 -5.04 115.26 118.83 3i1r n ASN 37 Ca -0.20 -0.63 0.00 0.00 1.68 0.00 0.00 54.58 55.43 3i1r n ASN 37 Cb 0.54 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.78 3i1r n ASN 37 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 3i1r n ASP 38 N -0.69 0.00 -1.86 6.41 5.75 -1.26 -4.94 116.55 119.95 3i1r n ASP 38 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 54.79 54.71 3i1r n ASP 38 Cb 0.00 0.17 0.27 0.00 -1.03 0.00 0.00 41.12 40.53 3i1r n ASP 38 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3i1r n ALA 39 N -1.89 4.60 -2.96 2.12 0.00 -1.26 -4.93 120.51 116.19 3i1r n ALA 39 Ca 0.00 -2.52 -0.25 0.00 0.00 0.00 0.00 53.44 50.66 3i1r n ALA 39 Cb 0.00 -1.18 -0.16 0.00 0.00 0.00 0.00 19.45 18.11 3i1r n ALA 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1r s VAL 40 N -3.06 1.36 -0.21 0.00 0.11 -1.26 -3.79 120.40 113.54 3i1r s VAL 40 Ca 0.53 -0.67 -0.10 0.00 -2.93 0.00 0.00 61.98 58.81 3i1r s VAL 40 Cb 0.44 -1.17 -0.05 0.00 -1.53 0.00 0.00 36.38 34.07 3i1r s VAL 40 CO 0.11 0.39 0.13 -1.83 -3.33 0.00 0.00 175.10 170.58 3i1r s GLU 41 N 0.10 4.16 -0.02 1.54 -1.05 -0.71 -4.98 118.70 117.73 3i1r s GLU 41 Ca -0.05 -0.24 0.05 0.00 -0.15 0.00 0.00 54.97 54.59 3i1r s GLU 41 Cb -0.12 -3.44 -0.03 0.00 -0.44 0.00 0.00 34.13 30.11 3i1r s GLU 41 CO 0.02 0.25 -0.17 0.54 0.95 0.00 0.00 175.26 176.85 3i1r s VAL 42 N 0.52 2.86 -0.02 1.83 0.11 -1.26 -1.18 120.40 123.26 3i1r s VAL 42 Ca 0.08 -0.91 0.03 0.00 -2.93 0.00 0.00 61.98 58.25 3i1r s VAL 42 Cb -0.12 -2.13 -0.00 0.00 -1.53 0.00 0.00 36.38 32.60 3i1r s VAL 42 CO -0.00 0.51 -0.12 -0.54 -3.33 0.00 0.00 175.10 171.62 3i1r s LYS 43 N -0.93 1.10 0.00 1.54 1.02 -0.68 -5.01 119.74 116.77 3i1r s LYS 43 Ca 0.12 -0.42 0.00 0.00 0.02 0.00 0.00 55.97 55.69 3i1r s LYS 43 Cb -0.10 -1.03 0.00 0.00 -0.52 0.00 0.00 37.83 36.17 3i1r s LYS 43 CO 0.02 0.22 0.00 1.58 -0.92 0.00 0.00 175.35 176.25 3i1r n HIS 44 N 2.98 0.00 -1.43 3.18 -0.00 -1.26 -2.29 115.22 116.40 3i1r n HIS 44 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.56 3i1r n HIS 44 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.54 3i1r n HIS 44 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3i1r n ALA 45 N -3.00 -1.65 -0.76 1.57 0.00 -1.26 -4.45 120.51 110.95 3i1r n ALA 45 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.77 3i1r n ALA 45 Cb 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3i1r n ALA 45 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i1r n ASP 46 N -1.93 -4.37 -1.97 0.00 -0.08 -1.26 -3.38 116.55 103.55 3i1r n ASP 46 Ca 0.00 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.08 3i1r n ASP 46 Cb 0.22 0.00 0.12 0.00 2.34 0.00 0.00 41.12 43.80 3i1r n ASP 46 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 3i1r n ASN 47 N -2.08 4.35 -4.18 1.67 3.02 -1.26 -4.94 115.26 111.85 3i1r n ASN 47 Ca 0.00 -3.27 -0.11 0.00 -0.03 0.00 0.00 54.58 51.17 3i1r n ASN 47 Cb 0.00 -0.81 -0.10 0.00 -0.61 0.00 0.00 39.78 38.26 3i1r n ASN 47 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3i1r s THR 48 N -2.74 0.04 -0.03 3.41 -4.23 -1.22 0.03 115.64 110.90 3i1r s THR 48 Ca 0.44 -1.95 0.06 0.00 -1.18 0.00 0.00 61.69 59.07 3i1r s THR 48 Cb 0.37 -2.32 -0.01 0.00 1.34 0.00 0.00 72.50 71.87 3i1r s THR 48 CO 0.06 -0.17 -0.22 -0.76 -0.54 0.00 0.00 174.62 172.99 3i1r s LEU 49 N -3.11 2.03 -0.03 4.79 1.43 -1.26 -4.30 118.68 118.22 3i1r s LEU 49 Ca 0.33 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 3i1r s LEU 49 Cb 0.07 -1.16 0.01 0.00 0.03 0.00 0.00 46.19 45.14 3i1r s LEU 49 CO 0.08 0.25 -0.06 0.42 0.23 0.00 0.00 176.35 177.27 3i1r s THR 50 N -0.39 0.61 0.08 5.49 -4.23 -0.97 -4.16 115.64 112.08 3i1r s THR 50 Ca 0.05 -0.23 0.05 0.00 -1.18 0.00 0.00 61.69 60.38 3i1r s THR 50 Cb -0.10 -0.59 -0.04 0.00 1.34 0.00 0.00 72.50 73.12 3i1r s THR 50 CO 0.00 0.22 -0.01 -0.36 -0.54 0.00 0.00 174.62 173.93 3i1r s PHE 51 N 0.51 2.98 0.14 3.99 0.08 -1.26 -1.69 117.98 122.74 3i1r s PHE 51 Ca -0.07 -0.03 -0.11 0.00 0.12 0.00 0.00 56.93 56.84 3i1r s PHE 51 Cb -0.11 -1.54 0.00 0.00 -0.57 0.00 0.00 43.02 40.81 3i1r s PHE 51 CO 0.00 0.47 0.31 0.20 -0.10 0.00 0.00 175.22 176.11 3i1r s GLY 52 N -2.25 0.20 0.00 4.36 0.00 -0.32 -4.69 107.32 104.61 3i1r s GLY 52 Ca 0.25 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 44.36 3i1r s GLY 52 CO 0.17 -0.68 0.00 -1.55 0.00 0.00 0.00 173.10 171.05 3i1r n PRO 53 N -0.19 2.63 -2.75 2.90 -0.04 -1.26 -1.74 135.00 134.54 3i1r n PRO 53 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 3i1r n PRO 53 Cb 0.63 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.10 3i1r n PRO 53 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3i1r s ARG 54 N 0.00 0.22 0.52 0.54 6.06 -1.25 -2.99 118.95 122.05 3i1r s ARG 54 Ca 0.00 -0.12 -0.18 0.00 -2.50 0.00 0.00 55.73 52.93 3i1r s ARG 54 Cb 0.00 0.01 -0.13 0.00 0.06 0.00 0.00 34.95 34.89 3i1r s ARG 54 CO 0.00 -0.30 0.04 -0.25 -2.50 0.00 0.00 175.30 172.29 3i1r n ASP 55 N 3.39 -3.00 0.00 -2.12 9.92 -1.26 -2.10 116.55 121.38 3i1r n ASP 55 Ca 0.08 0.68 0.00 0.00 -0.53 0.00 0.00 54.79 55.01 3i1r n ASP 55 Cb 0.63 -0.93 0.00 0.00 -0.64 0.00 0.00 41.12 40.18 3i1r n ASP 55 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3i1r n GLY 56 N 2.32 3.26 3.40 0.44 0.00 -1.26 -5.04 105.19 108.31 3i1r n GLY 56 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 3i1r n GLY 56 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i1r s TYR 57 N -2.89 2.59 -0.12 1.61 1.51 -0.89 -5.04 117.35 114.12 3i1r s TYR 57 Ca 0.00 -0.35 0.08 0.00 -1.01 0.00 0.00 57.07 55.79 3i1r s TYR 57 Cb 0.00 -1.62 -0.24 0.00 -0.11 0.00 0.00 41.96 40.00 3i1r s TYR 57 CO 0.00 0.04 0.37 0.00 -1.11 0.00 0.00 175.55 174.86 3i1r n ALA 58 N 2.54 1.34 0.54 3.71 0.00 -1.26 -3.96 120.51 123.42 3i1r n ALA 58 Ca -0.17 -0.87 0.08 0.00 0.00 0.00 0.00 53.44 52.47 3i1r n ALA 58 Cb 0.52 -0.59 0.34 0.00 0.00 0.00 0.00 19.45 19.71 3i1r n ALA 58 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i1r n ASP 59 N -3.12 0.00 -4.27 0.00 9.92 -1.26 -4.85 116.55 112.97 3i1r n ASP 59 Ca -0.27 0.49 -0.40 0.00 -0.53 0.00 0.00 54.79 54.08 3i1r n ASP 59 Cb 1.07 -0.49 0.01 0.00 -0.64 0.00 0.00 41.12 41.06 3i1r n ASP 59 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3i1r n GLY 60 N 0.11 -3.05 4.11 0.44 0.00 -1.25 -0.34 105.19 105.20 3i1r n GLY 60 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3i1r n GLY 60 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3i1r n TRP 61 N -1.38 0.00 -0.14 1.61 5.03 -1.26 -4.43 117.44 116.87 3i1r n TRP 61 Ca 0.09 0.00 -0.11 0.00 3.03 0.00 0.00 57.50 60.51 3i1r n TRP 61 Cb 0.45 0.00 -0.06 0.00 -1.03 0.00 0.00 31.31 30.68 3i1r n TRP 61 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 3i1r h ALA 62 N 0.00 -0.49 -0.91 6.99 0.00 -1.03 3.34 119.26 127.16 3i1r h ALA 62 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3i1r h ALA 62 Cb 0.00 0.95 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 3i1r h ALA 62 CO 0.00 -0.90 0.53 1.96 0.00 0.00 0.00 179.25 180.84 3i1r h GLN 63 N -0.33 1.25 -0.45 0.00 1.08 -1.05 -1.74 115.11 113.88 3i1r h GLN 63 Ca 0.13 -0.13 -0.07 0.00 -1.45 0.00 0.00 58.65 57.14 3i1r h GLN 63 Cb 0.59 -0.26 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 3i1r h GLN 63 CO -0.60 0.89 0.02 0.00 -0.95 0.00 0.00 178.83 178.19 3i1r h ALA 64 N 1.32 0.60 -0.63 3.87 0.00 -1.18 -1.57 119.26 121.67 3i1r h ALA 64 Ca 0.33 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 55.06 3i1r h ALA 64 Cb -0.02 -0.17 -0.11 0.00 0.00 0.00 0.00 17.79 17.49 3i1r h ALA 64 CO -0.06 0.38 -0.50 0.78 0.00 0.00 0.00 179.25 179.85 3i1r h GLY 65 N 0.63 -0.65 0.97 0.00 0.00 0.70 0.17 103.07 104.88 3i1r h GLY 65 Ca 0.13 0.65 -0.03 0.00 0.00 0.00 0.00 47.33 48.08 3i1r h GLY 65 CO 0.02 -0.11 -0.33 -0.91 0.00 0.00 0.00 176.54 175.21 3i1r h THR 66 N -0.22 0.33 -0.79 4.70 1.35 -1.12 -1.85 112.91 115.31 3i1r h THR 66 Ca 0.16 0.00 0.12 0.00 -0.55 0.00 0.00 66.41 66.14 3i1r h THR 66 Cb 0.55 0.33 -0.13 0.00 -1.73 0.00 0.00 68.15 67.16 3i1r h THR 66 CO -0.73 0.00 -0.38 0.00 -0.25 0.00 0.00 175.52 174.16 3i1r h ALA 67 N -0.53 -0.00 -0.76 6.62 0.00 -0.70 0.76 119.26 124.65 3i1r h ALA 67 Ca -0.08 0.21 0.07 0.00 0.00 0.00 0.00 54.91 55.11 3i1r h ALA 67 Cb 0.69 0.93 -0.10 0.00 0.00 0.00 0.00 17.79 19.30 3i1r h ALA 67 CO 0.13 -0.68 -0.58 -0.09 0.00 0.00 0.00 179.25 178.03 3i1r h ARG 68 N -0.09 -0.15 -0.76 0.00 1.12 -0.27 0.24 114.38 114.46 3i1r h ARG 68 Ca 0.27 0.01 0.01 0.00 -1.11 0.00 0.00 59.98 59.17 3i1r h ARG 68 Cb 0.57 0.04 -0.04 0.00 -0.01 0.00 0.00 29.97 30.53 3i1r h ARG 68 CO -0.83 -0.10 0.50 0.00 -3.11 0.00 0.00 179.97 176.43 3i1r h ALA 69 N 0.29 0.96 0.85 2.80 0.00 0.11 0.14 119.26 124.42 3i1r h ALA 69 Ca 0.13 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3i1r h ALA 69 Cb 0.49 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.98 3i1r h ALA 69 CO -0.80 0.37 -0.41 -0.07 0.00 0.00 0.00 179.25 178.34 3i1r h LEU 70 N 1.02 -0.97 -1.91 0.00 3.38 0.64 -0.63 115.31 116.85 3i1r h LEU 70 Ca 0.28 0.03 0.22 0.00 0.09 0.00 0.00 57.88 58.50 3i1r h LEU 70 Cb -0.11 0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 3i1r h LEU 70 CO -0.07 -0.65 0.56 -0.07 0.09 0.00 0.00 178.44 178.31 3i1r h LEU 71 N -1.24 0.08 0.61 1.67 -0.00 -0.31 0.34 115.31 116.45 3i1r h LEU 71 Ca -0.12 0.01 -0.03 0.00 -0.00 0.00 0.00 57.88 57.74 3i1r h LEU 71 Cb 0.88 -0.01 0.01 0.00 -0.00 0.00 0.00 40.66 41.54 3i1r h LEU 71 CO 0.19 0.03 -0.29 -1.13 -0.00 0.00 0.00 178.44 177.24 3i1r h ASN 72 N 0.08 -0.70 0.33 -0.43 -0.00 -0.29 -2.45 115.58 112.13 3i1r h ASN 72 Ca 0.38 -0.03 0.00 0.00 -0.00 0.00 0.00 56.30 56.66 3i1r h ASN 72 Cb 1.40 0.18 0.00 0.00 -0.00 0.00 0.00 38.32 39.90 3i1r h ASN 72 CO -0.04 -0.36 0.00 -1.54 -0.00 0.00 0.00 177.43 175.50 3i1r n SER 73 N -5.36 0.27 -0.03 1.15 3.41 -0.09 -1.47 113.62 111.50 3i1r n SER 73 Ca -0.12 0.59 -0.03 0.00 -0.26 0.00 0.00 58.87 59.06 3i1r n SER 73 Cb 0.35 -0.64 -0.02 0.00 -0.26 0.00 0.00 64.21 63.64 3i1r n SER 73 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 3i1r h MET 74 N 0.00 -0.04 -0.06 4.33 2.86 -0.96 -2.83 114.93 118.23 3i1r h MET 74 Ca 0.00 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3i1r h MET 74 Cb 0.17 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 3i1r h MET 74 CO 0.00 0.10 -0.07 0.28 1.06 0.00 0.00 176.91 178.28 3i1r h VAL 75 N -1.01 0.00 -1.38 -2.22 2.07 -0.91 0.98 116.25 113.78 3i1r h VAL 75 Ca -0.00 0.00 0.45 0.00 0.82 0.00 0.00 66.70 67.97 3i1r h VAL 75 Cb 0.16 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.80 3i1r h VAL 75 CO 0.01 0.00 0.90 -0.29 0.02 0.00 0.00 177.57 178.20 3i1r h ILE 76 N -0.04 0.09 0.34 4.57 2.10 -1.45 -1.10 117.51 122.02 3i1r h ILE 76 Ca 0.01 -0.02 -0.01 0.00 1.08 0.00 0.00 64.86 65.92 3i1r h ILE 76 Cb 0.07 0.02 -0.01 0.00 -1.09 0.00 0.00 36.82 35.82 3i1r h ILE 76 CO -0.08 0.01 -0.27 1.23 -1.08 0.00 0.00 178.15 177.97 3i1r h GLY 77 N 0.06 -0.93 0.74 8.18 0.00 0.12 -0.05 103.07 111.19 3i1r h GLY 77 Ca 0.84 0.40 0.00 0.00 0.00 0.00 0.00 47.33 48.58 3i1r h GLY 77 CO -0.40 -0.31 0.00 3.33 0.00 0.00 0.00 176.54 179.16 3i1r n VAL 78 N -3.97 0.00 0.00 4.60 0.24 -0.44 -2.37 118.33 116.38 3i1r n VAL 78 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 3i1r n VAL 78 Cb 0.26 -0.71 0.00 0.00 -1.47 0.00 0.00 33.84 31.92 3i1r n VAL 78 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 3i1r n THR 79 N -0.87 0.00 -0.23 3.34 -1.04 -0.99 -2.22 114.28 112.27 3i1r n THR 79 Ca 0.06 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.09 3i1r n THR 79 Cb 0.03 -0.17 0.26 0.00 -1.82 0.00 0.00 70.33 68.62 3i1r n THR 79 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 3i1r h GLU 80 N 0.00 0.96 0.00 -2.82 4.22 -1.15 -3.43 114.58 112.37 3i1r h GLU 80 Ca 0.00 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.38 3i1r h GLU 80 Cb 0.00 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.03 3i1r h GLU 80 CO 0.00 0.64 0.00 0.41 -2.18 0.00 0.00 179.01 177.88 3i1r n GLY 81 N -1.42 -0.21 3.64 1.92 0.00 -1.00 -5.06 105.19 103.06 3i1r n GLY 81 Ca 0.10 -1.69 -0.31 0.00 0.00 0.00 0.00 46.02 44.12 3i1r n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i1r s PHE 82 N -2.77 2.91 0.00 1.61 0.08 -0.02 -4.89 117.98 114.89 3i1r s PHE 82 Ca 0.00 -0.06 0.00 0.00 0.12 0.00 0.00 56.93 56.99 3i1r s PHE 82 Cb 0.00 -1.53 0.00 0.00 -0.57 0.00 0.00 43.02 40.92 3i1r s PHE 82 CO 0.00 0.44 0.00 0.25 -0.10 0.00 0.00 175.22 175.81 3i1r n THR 83 N 0.85 0.00 0.00 0.64 -2.24 -1.26 -3.69 114.28 108.58 3i1r n THR 83 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3i1r n THR 83 Cb 0.52 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 3i1r n THR 83 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3i1r n LYS 84 N -0.47 0.00 -0.50 -0.78 0.00 -1.26 -4.62 118.16 110.53 3i1r n LYS 84 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3i1r n LYS 84 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 3i1r n LYS 84 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3i1r n LYS 85 N 0.00 0.00 -4.38 -1.58 5.02 -1.23 -4.94 118.16 111.05 3i1r n LYS 85 Ca 0.00 0.17 -0.28 0.00 -2.02 0.00 0.00 58.31 56.18 3i1r n LYS 85 Cb 0.00 -0.33 -0.12 0.00 -0.02 0.00 0.00 35.03 34.56 3i1r n LYS 85 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3i1r s LEU 86 N 0.00 2.47 -0.03 -0.35 1.02 0.38 -4.35 118.68 117.82 3i1r s LEU 86 Ca 0.00 -0.76 0.03 0.00 0.02 0.00 0.00 54.13 53.42 3i1r s LEU 86 Cb 0.00 -1.28 0.01 0.00 0.02 0.00 0.00 46.19 44.94 3i1r s LEU 86 CO 0.00 0.15 -0.10 0.00 0.02 0.00 0.00 176.35 176.42 3i1r s GLN 87 N -2.39 1.14 0.32 1.70 -2.07 -1.24 0.83 119.66 117.94 3i1r s GLN 87 Ca 0.18 -0.34 -0.15 0.00 -1.82 0.00 0.00 55.36 53.23 3i1r s GLN 87 Cb -0.09 -1.03 -0.09 0.00 -1.09 0.00 0.00 33.01 30.71 3i1r s GLN 87 CO 0.09 0.10 0.74 -0.51 -1.32 0.00 0.00 175.29 174.39 3i1r s LEU 88 N 0.29 4.07 -0.04 2.60 1.43 0.67 -2.08 118.68 125.62 3i1r s LEU 88 Ca -0.05 1.29 -0.01 0.00 -1.03 0.00 0.00 54.13 54.32 3i1r s LEU 88 Cb -0.10 -4.08 0.03 0.00 0.03 0.00 0.00 46.19 42.07 3i1r s LEU 88 CO 0.01 -0.20 0.05 -0.69 0.23 0.00 0.00 176.35 175.74 3i1r s VAL 89 N -1.98 -0.06 0.00 -1.59 1.01 -0.91 -4.91 120.40 111.96 3i1r s VAL 89 Ca 0.54 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.87 3i1r s VAL 89 Cb -0.10 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 36.11 3i1r s VAL 89 CO 0.17 0.16 0.00 0.61 0.00 0.00 0.00 175.10 176.05 3i1r n GLY 90 N 4.98 3.86 3.71 4.51 0.00 -1.26 -0.87 105.19 120.12 3i1r n GLY 90 Ca -0.10 -1.59 -0.62 0.00 0.00 0.00 0.00 46.02 43.71 3i1r n GLY 90 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3i1r n VAL 91 N -1.38 0.14 -3.52 1.61 3.14 -1.26 -2.70 118.33 114.37 3i1r n VAL 91 Ca 0.00 -0.03 -0.25 0.00 -2.96 0.00 0.00 64.34 61.10 3i1r n VAL 91 Cb 0.00 -0.83 0.05 0.00 -1.06 0.00 0.00 33.84 32.00 3i1r n VAL 91 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3i1r n GLY 92 N 3.90 -1.07 0.11 7.55 0.00 -1.26 -4.95 105.19 109.47 3i1r n GLY 92 Ca 0.28 0.50 -0.07 0.00 0.00 0.00 0.00 46.02 46.73 3i1r n GLY 92 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i1r n TYR 93 N -3.77 0.00 -1.86 1.61 0.53 -1.10 -4.59 117.16 107.98 3i1r n TYR 93 Ca -0.08 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.80 3i1r n TYR 93 Cb 0.60 -0.41 0.00 0.00 -1.03 0.00 0.00 39.34 38.50 3i1r n TYR 93 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71 3i1r n ARG 94 N -4.13 -2.33 -4.10 -0.72 0.63 -1.26 -3.16 116.66 101.60 3i1r n ARG 94 Ca -0.11 1.65 -0.25 0.00 -0.92 0.00 0.00 57.85 58.21 3i1r n ARG 94 Cb 0.42 -2.14 -0.06 0.00 0.45 0.00 0.00 32.46 31.13 3i1r n ARG 94 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i1r s ALA 95 N -0.23 3.84 0.00 5.13 0.00 0.10 -2.15 121.76 128.46 3i1r s ALA 95 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 51.96 50.20 3i1r s ALA 95 Cb 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.66 3i1r s ALA 95 CO 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 175.76 175.55 3i1r n ALA 96 N -1.37 2.42 -1.31 0.00 0.00 0.11 -4.67 120.51 115.69 3i1r n ALA 96 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3i1r n ALA 96 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 3i1r n ALA 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i1r n VAL 97 N -1.63 -2.14 -3.13 0.00 0.31 -1.26 -4.37 118.33 106.11 3i1r n VAL 97 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.06 3i1r n VAL 97 Cb 0.00 -3.30 -0.06 0.00 -0.91 0.00 0.00 33.84 29.57 3i1r n VAL 97 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3i1r n LYS 98 N 0.06 2.97 0.00 5.55 5.02 -0.55 -4.91 118.16 126.30 3i1r n LYS 98 Ca 0.00 -4.79 0.00 0.00 -2.02 0.00 0.00 58.31 51.50 3i1r n LYS 98 Cb 0.00 -2.25 0.00 0.00 -0.02 0.00 0.00 35.03 32.76 3i1r n LYS 98 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i1r n GLY 99 N 0.20 1.60 0.52 0.72 0.00 -1.26 -4.34 105.19 102.63 3i1r n GLY 99 Ca 0.31 -0.78 0.04 0.00 0.00 0.00 0.00 46.02 45.59 3i1r n GLY 99 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3i1r n ASN 100 N 0.44 1.04 -3.83 1.61 0.23 -1.26 -4.91 115.26 108.58 3i1r n ASN 100 Ca 0.00 -2.53 -0.29 0.00 -0.53 0.00 0.00 54.58 51.24 3i1r n ASN 100 Cb 0.00 -0.32 -0.16 0.00 -2.08 0.00 0.00 39.78 37.22 3i1r n ASN 100 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 3i1r s VAL 101 N -1.21 0.95 -0.64 3.53 -7.23 -1.26 -1.02 120.40 113.53 3i1r s VAL 101 Ca 0.19 -0.80 -0.27 0.00 -1.81 0.00 0.00 61.98 59.29 3i1r s VAL 101 Cb 0.18 -1.33 -0.01 0.00 0.56 0.00 0.00 36.38 35.78 3i1r s VAL 101 CO -0.02 -0.12 1.71 -0.63 -0.31 0.00 0.00 175.10 175.73 3i1r s ILE 102 N 1.67 3.45 0.15 -0.62 1.01 0.19 -1.48 121.20 125.58 3i1r s ILE 102 Ca -0.02 0.27 -0.30 0.00 0.00 0.00 0.00 60.65 60.59 3i1r s ILE 102 Cb -0.17 -4.18 -0.08 0.00 0.01 0.00 0.00 42.46 38.04 3i1r s ILE 102 CO -0.07 -1.13 1.27 0.21 0.00 0.00 0.00 174.94 175.21 3i1r s ASN 103 N 6.96 6.98 0.03 3.58 3.84 -1.26 -1.20 114.94 133.86 3i1r s ASN 103 Ca 0.59 2.26 0.05 0.00 0.21 0.00 0.00 52.86 55.97 3i1r s ASN 103 Cb -0.12 -2.60 -0.02 0.00 -0.55 0.00 0.00 41.25 37.97 3i1r s ASN 103 CO 0.20 -0.49 -0.13 -0.76 -2.79 0.00 0.00 177.10 173.13 3i1r s LEU 104 N 0.28 2.15 -0.44 3.21 1.43 -1.26 0.04 118.68 124.09 3i1r s LEU 104 Ca 0.57 -0.42 0.04 0.00 -1.03 0.00 0.00 54.13 53.29 3i1r s LEU 104 Cb -0.34 -0.58 0.12 0.00 0.03 0.00 0.00 46.19 45.42 3i1r s LEU 104 CO 0.35 0.04 0.17 -0.55 0.23 0.00 0.00 176.35 176.58 3i1r s SER 105 N -1.03 4.52 -0.52 2.29 0.15 -0.91 -1.80 113.70 116.40 3i1r s SER 105 Ca 0.01 -2.63 0.03 0.00 0.70 0.00 0.00 55.95 54.06 3i1r s SER 105 Cb -0.07 -1.64 0.42 0.00 -1.71 0.00 0.00 66.02 63.02 3i1r s SER 105 CO 0.01 -0.30 1.47 0.18 1.20 0.00 0.00 173.24 175.80 3i1r n LEU 106 N 3.62 5.83 -1.29 3.45 4.77 -1.26 -4.20 117.00 127.92 3i1r n LEU 106 Ca 0.05 -4.86 -0.14 0.00 -0.03 0.00 0.00 56.01 51.03 3i1r n LEU 106 Cb 0.37 -0.63 -0.03 0.00 -2.33 0.00 0.00 43.42 40.79 3i1r n LEU 106 CO 0.29 1.98 -0.15 0.61 -1.33 0.00 0.00 177.39 178.79 3i1r n GLY 107 N -0.63 0.65 3.94 -0.72 0.00 -1.26 -5.01 105.19 102.15 3i1r n GLY 107 Ca 0.47 -0.35 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 3i1r n GLY 107 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i1r s PHE 108 N -2.59 2.09 -0.09 1.61 2.99 -1.26 -4.99 117.98 115.74 3i1r s PHE 108 Ca 0.00 -0.64 -0.00 0.00 0.00 0.00 0.00 56.93 56.29 3i1r s PHE 108 Cb 0.00 -2.13 0.08 0.00 0.00 0.00 0.00 43.02 40.97 3i1r s PHE 108 CO 0.00 -0.50 1.75 0.43 -0.00 0.00 0.00 175.22 176.90 3i1r n SER 109 N -1.81 4.95 0.00 1.36 7.64 -1.26 -4.74 113.62 119.76 3i1r n SER 109 Ca 0.05 -2.50 0.00 0.00 1.01 0.00 0.00 58.87 57.43 3i1r n SER 109 Cb 0.62 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 3i1r n SER 109 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i1r n HIS 110 N 0.89 0.00 -0.87 1.43 -0.00 -1.26 -5.14 115.22 110.26 3i1r n HIS 110 Ca 0.09 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.53 3i1r n HIS 110 Cb 0.57 0.00 0.22 0.00 -0.00 0.00 0.00 29.99 30.77 3i1r n HIS 110 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 3i1r s PRO 111 N -2.00 -0.32 -0.20 -1.40 0.02 -1.26 -4.69 135.00 125.15 3i1r s PRO 111 Ca 0.00 0.63 -0.16 0.00 0.02 0.00 0.00 61.00 61.49 3i1r s PRO 111 Cb 0.00 -1.64 -0.08 0.00 0.02 0.00 0.00 34.50 32.80 3i1r s PRO 111 CO 0.00 -3.26 -0.31 1.33 -0.33 0.00 0.00 177.00 174.43 3i1r n VAL 112 N -4.56 1.50 -2.26 3.83 0.24 -0.74 -4.98 118.33 111.35 3i1r n VAL 112 Ca 0.04 0.01 -0.03 0.00 -2.04 0.00 0.00 64.34 62.32 3i1r n VAL 112 Cb 0.56 -2.23 -0.03 0.00 -1.47 0.00 0.00 33.84 30.68 3i1r n VAL 112 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3i1r n ASP 113 N -4.43 -1.94 -4.86 -1.34 8.00 -1.25 -4.93 116.55 105.80 3i1r n ASP 113 Ca -0.24 0.93 -0.23 0.00 0.71 0.00 0.00 54.79 55.95 3i1r n ASP 113 Cb 0.59 -3.92 -0.04 0.00 -0.02 0.00 0.00 41.12 37.73 3i1r n ASP 113 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3i1r s HIS 114 N -0.60 3.23 -0.46 1.24 5.65 -0.34 -4.93 115.29 119.08 3i1r s HIS 114 Ca -0.16 -0.04 0.02 0.00 0.25 0.00 0.00 55.06 55.14 3i1r s HIS 114 Cb 0.01 -1.49 0.14 0.00 -1.18 0.00 0.00 32.58 30.06 3i1r s HIS 114 CO 0.54 0.51 0.26 1.14 -0.65 0.00 0.00 174.74 176.54 3i1r s GLN 115 N -3.59 1.38 -0.03 2.88 0.00 -1.26 0.57 119.66 119.61 3i1r s GLN 115 Ca 0.33 -2.12 -0.38 0.00 -0.00 0.00 0.00 55.36 53.18 3i1r s GLN 115 Cb -0.09 -2.42 -0.19 0.00 0.00 0.00 0.00 33.01 30.31 3i1r s GLN 115 CO 0.26 -1.17 1.03 1.28 0.00 0.00 0.00 175.29 176.69 3i1r n LEU 116 N 3.40 0.06 0.00 2.60 4.32 -0.19 -4.94 117.00 122.25 3i1r n LEU 116 Ca 0.10 1.09 0.00 0.00 -0.02 0.00 0.00 56.01 57.18 3i1r n LEU 116 Cb 0.35 -0.86 0.00 0.00 -1.62 0.00 0.00 43.42 41.29 3i1r n LEU 116 CO 0.24 -1.72 0.00 -0.81 -1.22 0.00 0.00 177.39 173.88 3i1r n PRO 117 N 1.55 -0.61 0.00 3.23 -0.04 -1.26 -4.94 135.00 132.93 3i1r n PRO 117 Ca 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 3i1r n PRO 117 Cb 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.53 3i1r n PRO 117 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i1r n ALA 118 N -3.00 0.00 0.22 0.55 0.00 -1.26 -3.82 120.51 113.20 3i1r n ALA 118 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 3i1r n ALA 118 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.54 3i1r n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1r n GLY 119 N 0.00 -0.11 3.60 0.00 0.00 -1.26 -4.70 105.19 102.72 3i1r n GLY 119 Ca 0.00 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 3i1r n GLY 119 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i1r s ILE 120 N -2.00 3.94 0.03 -0.61 -1.16 -1.25 -4.10 121.20 116.05 3i1r s ILE 120 Ca 0.05 -0.38 -0.01 0.00 -0.51 0.00 0.00 60.65 59.80 3i1r s ILE 120 Cb 0.02 -2.65 -0.02 0.00 0.61 0.00 0.00 42.46 40.42 3i1r s ILE 120 CO 0.04 0.58 -0.02 0.42 -2.81 0.00 0.00 174.94 173.15 3i1r s THR 121 N -0.58 0.14 0.27 4.00 -4.23 -1.04 -4.56 115.64 109.63 3i1r s THR 121 Ca 0.09 -1.14 0.01 0.00 -1.18 0.00 0.00 61.69 59.47 3i1r s THR 121 Cb -0.12 -0.61 -0.03 0.00 1.34 0.00 0.00 72.50 73.08 3i1r s THR 121 CO 0.02 -0.63 0.27 0.00 -0.54 0.00 0.00 174.62 173.74 3i1r s ALA 122 N -2.13 1.22 0.02 3.99 0.00 -1.26 -0.94 121.76 122.66 3i1r s ALA 122 Ca -0.10 -1.73 -0.28 0.00 0.00 0.00 0.00 51.96 49.86 3i1r s ALA 122 Cb -0.05 1.36 0.10 0.00 0.00 0.00 0.00 23.12 24.52 3i1r s ALA 122 CO -0.03 -0.67 0.86 -2.00 0.00 0.00 0.00 175.76 173.91 3i1r s GLU 123 N -3.73 0.90 -0.33 0.00 -6.30 0.09 -4.96 118.70 104.36 3i1r s GLU 123 Ca 0.37 -0.34 0.01 0.00 -2.50 0.00 0.00 54.97 52.51 3i1r s GLU 123 Cb 0.04 0.41 0.09 0.00 0.00 0.00 0.00 34.13 34.66 3i1r s GLU 123 CO 0.18 -0.40 0.04 0.00 0.02 0.00 0.00 175.26 175.11 3i1r h PRO 125 N 7.80 1.03 0.00 0.00 0.13 -1.96 -3.43 132.00 135.56 3i1r h PRO 125 Ca -0.12 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 3i1r h PRO 125 Cb 1.04 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3i1r h PRO 125 CO 0.54 0.68 0.00 2.41 -0.23 0.00 0.00 178.00 181.40 3i1r n THR 126 N -4.57 0.00 0.06 1.56 -1.04 -1.26 -5.02 114.28 104.01 3i1r n THR 126 Ca 0.12 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.12 3i1r n THR 126 Cb 0.14 -0.52 -0.06 0.00 -1.82 0.00 0.00 70.33 68.06 3i1r n THR 126 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 3i1r h GLN 127 N 0.00 0.00 -0.41 -2.82 1.08 -1.83 -3.38 115.11 107.75 3i1r h GLN 127 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3i1r h GLN 127 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3i1r h GLN 127 CO 0.00 0.44 0.00 0.25 -0.95 0.00 0.00 178.83 178.57 3i1r n THR 128 N -3.05 0.55 -4.79 -0.54 -2.24 -1.26 0.03 114.28 102.98 3i1r n THR 128 Ca -0.06 -0.77 -0.26 0.00 -2.27 0.00 0.00 64.05 60.68 3i1r n THR 128 Cb 0.84 0.94 -0.16 0.00 -2.10 0.00 0.00 70.33 69.85 3i1r n THR 128 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3i1r s GLU 129 N -1.42 1.93 -0.12 -0.78 2.02 -1.26 -0.24 118.70 118.83 3i1r s GLU 129 Ca 0.39 -0.57 0.02 0.00 0.02 0.00 0.00 54.97 54.82 3i1r s GLU 129 Cb 0.22 -1.60 -0.01 0.00 0.10 0.00 0.00 34.13 32.85 3i1r s GLU 129 CO 0.31 0.15 -0.19 0.42 0.02 0.00 0.00 175.26 175.98 3i1r s ILE 130 N 0.32 2.55 -0.04 -1.63 1.01 0.24 -3.82 121.20 119.83 3i1r s ILE 130 Ca -0.10 -0.84 0.05 0.00 0.00 0.00 0.00 60.65 59.75 3i1r s ILE 130 Cb -0.14 -2.03 -0.01 0.00 0.01 0.00 0.00 42.46 40.30 3i1r s ILE 130 CO 0.04 0.54 -0.18 0.68 0.00 0.00 0.00 174.94 176.02 3i1r s VAL 131 N 0.35 1.46 -0.27 2.92 -7.23 -0.64 0.15 120.40 117.13 3i1r s VAL 131 Ca -0.15 -0.75 -0.02 0.00 -1.81 0.00 0.00 61.98 59.26 3i1r s VAL 131 Cb -0.17 -1.24 0.09 0.00 0.56 0.00 0.00 36.38 35.62 3i1r s VAL 131 CO 0.07 0.42 0.08 -1.48 -0.31 0.00 0.00 175.10 173.88 3i1r s LEU 132 N -0.10 1.67 0.27 1.32 2.34 -1.26 -0.73 118.68 122.19 3i1r s LEU 132 Ca -0.01 -1.31 -0.15 0.00 0.06 0.00 0.00 54.13 52.72 3i1r s LEU 132 Cb -0.10 -0.72 -0.08 0.00 -0.56 0.00 0.00 46.19 44.73 3i1r s LEU 132 CO 0.01 -0.38 0.69 -0.54 -1.06 0.00 0.00 176.35 175.08 3i1r s LYS 133 N 1.75 4.04 0.23 1.48 1.02 -0.12 -4.49 119.74 123.65 3i1r s LYS 133 Ca 0.06 0.65 -0.21 0.00 0.02 0.00 0.00 55.97 56.49 3i1r s LYS 133 Cb -0.17 -2.61 0.07 0.00 -0.52 0.00 0.00 37.83 34.60 3i1r s LYS 133 CO -0.21 0.26 0.98 0.20 -0.92 0.00 0.00 175.35 175.66 3i1r s GLY 134 N -2.09 0.14 -0.23 -3.33 0.00 -1.24 -2.51 107.32 98.06 3i1r s GLY 134 Ca 0.49 -0.39 -0.01 0.00 0.00 0.00 0.00 44.72 44.81 3i1r s GLY 134 CO 0.19 1.65 -0.23 0.00 0.00 0.00 0.00 173.10 174.72 3i1r n ALA 135 N -0.65 1.49 -2.70 3.20 0.00 -1.26 -0.84 120.51 119.75 3i1r n ALA 135 Ca -0.04 -0.97 -0.42 0.00 0.00 0.00 0.00 53.44 52.00 3i1r n ALA 135 Cb 0.60 0.02 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 3i1r n ALA 135 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i1r s ASP 136 N -6.43 6.21 0.64 0.00 -1.08 -1.26 -4.57 116.67 110.19 3i1r s ASP 136 Ca -0.31 -0.84 0.34 0.00 -0.52 0.00 0.00 52.55 51.22 3i1r s ASP 136 Cb 0.09 -2.49 1.90 0.00 -1.46 0.00 0.00 42.92 40.96 3i1r s ASP 136 CO 0.51 -1.60 2.12 0.50 0.52 0.00 0.00 175.17 177.22 3i1r h LYS 137 N 9.75 0.00 -0.00 4.34 3.64 -1.90 0.37 116.57 132.77 3i1r h LYS 137 Ca -0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 3i1r h LYS 137 Cb 1.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 3i1r h LYS 137 CO 1.24 0.00 -0.15 0.94 -2.27 0.00 0.00 179.45 179.21 3i1r n GLN 138 N -3.27 0.03 -0.12 1.90 0.00 -1.26 -3.51 117.38 111.16 3i1r n GLN 138 Ca -0.01 -0.01 -0.25 0.00 -0.00 0.00 0.00 57.00 56.73 3i1r n GLN 138 Cb 0.27 -1.50 -0.08 0.00 0.00 0.00 0.00 30.24 28.92 3i1r n GLN 138 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 3i1r n VAL 139 N -1.48 1.27 -0.23 1.69 0.31 0.13 -3.22 118.33 116.80 3i1r n VAL 139 Ca 0.07 -0.33 0.19 0.00 -0.01 0.00 0.00 64.34 64.27 3i1r n VAL 139 Cb 0.33 -1.81 0.52 0.00 -0.91 0.00 0.00 33.84 31.98 3i1r n VAL 139 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 3i1r h ILE 140 N -0.82 0.68 0.46 2.52 -0.00 -1.71 0.79 117.51 119.42 3i1r h ILE 140 Ca -0.59 -0.13 -0.02 0.00 -0.00 0.00 0.00 64.86 64.12 3i1r h ILE 140 Cb 1.52 0.26 -0.01 0.00 -0.00 0.00 0.00 36.82 38.59 3i1r h ILE 140 CO -0.35 0.07 -0.37 1.23 -0.00 0.00 0.00 178.15 178.73 3i1r h GLY 141 N 0.39 -1.10 0.27 0.16 0.00 -1.72 0.96 103.07 102.02 3i1r h GLY 141 Ca 0.46 0.48 0.02 0.00 0.00 0.00 0.00 47.33 48.29 3i1r h GLY 141 CO -0.17 -0.35 -0.42 -1.61 0.00 0.00 0.00 176.54 173.99 3i1r h GLN 142 N -0.80 -0.63 -0.39 4.80 5.75 -0.37 -1.31 115.11 122.16 3i1r h GLN 142 Ca -0.06 0.04 0.08 0.00 -0.15 0.00 0.00 58.65 58.56 3i1r h GLN 142 Cb 0.67 0.14 -0.09 0.00 1.07 0.00 0.00 27.48 29.27 3i1r h GLN 142 CO 0.01 -0.42 -0.28 0.28 -2.65 0.00 0.00 178.83 175.77 3i1r h VAL 143 N -0.65 0.30 -0.31 2.39 2.07 0.43 -0.01 116.25 120.46 3i1r h VAL 143 Ca 0.02 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.58 3i1r h VAL 143 Cb 0.68 0.30 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 3i1r h VAL 143 CO -0.25 0.00 -0.36 0.00 0.02 0.00 0.00 177.57 176.98 3i1r h ALA 144 N 0.90 -0.58 -0.88 1.67 0.00 -0.01 0.41 119.26 120.76 3i1r h ALA 144 Ca 0.18 0.01 0.23 0.00 0.00 0.00 0.00 54.91 55.33 3i1r h ALA 144 Cb 0.50 1.01 -0.13 0.00 0.00 0.00 0.00 17.79 19.17 3i1r h ALA 144 CO -0.51 -0.77 0.31 0.00 0.00 0.00 0.00 179.25 178.28 3i1r h ALA 145 N -0.44 1.35 -0.18 0.00 0.00 -0.07 0.16 119.26 120.09 3i1r h ALA 145 Ca 0.05 0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.20 3i1r h ALA 145 Cb 0.37 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 3i1r h ALA 145 CO -0.41 -0.41 -0.08 -0.44 0.00 0.00 0.00 179.25 177.90 3i1r h ASP 146 N 0.29 -0.28 0.17 0.00 3.32 0.82 0.83 116.42 121.58 3i1r h ASP 146 Ca 0.55 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.63 3i1r h ASP 146 Cb 1.09 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 3i1r h ASP 146 CO -0.59 -0.11 -0.18 -0.07 -1.72 0.00 0.00 179.24 176.57 3i1r h LEU 147 N -0.06 0.03 -0.14 1.55 3.38 0.46 -2.39 115.31 118.14 3i1r h LEU 147 Ca 0.10 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 3i1r h LEU 147 Cb 0.21 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3i1r h LEU 147 CO -0.22 0.21 -0.46 -0.09 0.09 0.00 0.00 178.44 177.96 3i1r h ARG 148 N 0.03 0.56 -0.87 1.13 2.43 -0.35 -3.30 114.38 114.01 3i1r h ARG 148 Ca 0.00 -0.42 0.17 0.00 -0.81 0.00 0.00 59.98 58.92 3i1r h ARG 148 Cb 0.33 0.07 -0.16 0.00 -0.42 0.00 0.00 29.97 29.79 3i1r h ARG 148 CO 0.02 1.04 -0.25 0.00 -1.51 0.00 0.00 179.97 179.27 3i1r h ALA 149 N 0.52 0.47 -0.93 2.80 0.00 -0.32 0.28 119.26 122.08 3i1r h ALA 149 Ca -0.02 0.32 0.36 0.00 0.00 0.00 0.00 54.91 55.57 3i1r h ALA 149 Cb 1.09 0.72 -0.17 0.00 0.00 0.00 0.00 17.79 19.43 3i1r h ALA 149 CO 0.10 -0.45 0.39 0.66 0.00 0.00 0.00 179.25 179.95 3i1r n TYR 150 N -5.54 0.98 -3.15 0.00 4.02 -1.22 -3.56 117.16 108.69 3i1r n TYR 150 Ca 0.12 1.11 -0.07 0.00 -0.01 0.00 0.00 57.90 59.05 3i1r n TYR 150 Cb 0.43 -1.44 -0.03 0.00 -0.02 0.00 0.00 39.34 38.28 3i1r n TYR 150 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 3i1r s ARG 151 N -5.54 0.85 0.38 -0.72 6.06 0.07 -5.06 118.95 114.99 3i1r s ARG 151 Ca -0.09 -0.80 -0.27 0.00 -2.50 0.00 0.00 55.73 52.06 3i1r s ARG 151 Cb 0.31 -0.29 -0.10 0.00 0.06 0.00 0.00 34.95 34.93 3i1r s ARG 151 CO 0.73 -1.25 1.41 1.03 -2.50 0.00 0.00 175.30 174.72 3i1r s ARG 152 N 1.32 4.08 -0.91 5.12 0.52 -1.09 -0.40 118.95 127.58 3i1r s ARG 152 Ca 0.21 2.41 -0.16 0.00 -0.52 0.00 0.00 55.73 57.67 3i1r s ARG 152 Cb -0.05 -2.91 -0.25 0.00 0.52 0.00 0.00 34.95 32.25 3i1r s ARG 152 CO -0.06 -0.49 2.27 -2.30 0.02 0.00 0.00 175.30 174.73 3i1r n PRO 153 N 0.39 0.24 -1.68 3.54 -0.02 -1.25 -4.74 135.00 131.47 3i1r n PRO 153 Ca 0.02 -0.36 -0.43 0.00 -2.02 0.00 0.00 63.50 60.71 3i1r n PRO 153 Cb 0.41 -2.15 -0.01 0.00 -0.02 0.00 0.00 33.50 31.74 3i1r n PRO 153 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3i1r n GLU 154 N 6.93 1.97 0.00 -0.52 -0.00 -0.17 -4.79 120.64 124.06 3i1r n GLU 154 Ca 0.59 0.69 0.14 0.00 -0.00 0.00 0.00 57.16 58.58 3i1r n GLU 154 Cb 0.26 -2.25 0.84 0.00 -0.00 0.00 0.00 31.44 30.29 3i1r n GLU 154 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 3i1r n PRO 155 N 0.51 0.97 0.01 3.44 -0.04 -1.26 -0.56 135.00 138.07 3i1r n PRO 155 Ca 0.06 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.49 3i1r n PRO 155 Cb 0.36 -1.46 -0.10 0.00 -0.04 0.00 0.00 33.50 32.26 3i1r n PRO 155 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3i1r n TYR 156 N -0.96 0.93 -1.69 0.54 4.02 -1.26 -0.54 117.16 118.20 3i1r n TYR 156 Ca 0.21 0.32 0.00 0.00 -0.01 0.00 0.00 57.90 58.42 3i1r n TYR 156 Cb 0.10 -1.10 0.00 0.00 -0.02 0.00 0.00 39.34 38.31 3i1r n TYR 156 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3i1r n LYS 157 N -2.92 0.00 -0.98 -0.72 5.02 -1.22 -4.35 118.16 112.99 3i1r n LYS 157 Ca -0.13 -0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.05 3i1r n LYS 157 Cb 0.91 -0.16 0.00 0.00 -0.02 0.00 0.00 35.03 35.77 3i1r n LYS 157 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i1r n GLY 158 N 0.00 0.23 3.77 0.72 0.00 0.28 -4.95 105.19 105.24 3i1r n GLY 158 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3i1r n GLY 158 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i1r s LYS 159 N -1.09 3.68 0.00 1.61 2.20 -1.25 -4.68 119.74 120.21 3i1r s LYS 159 Ca 0.00 2.38 0.00 0.00 -0.36 0.00 0.00 55.97 57.99 3i1r s LYS 159 Cb 0.00 -2.64 0.00 0.00 -1.51 0.00 0.00 37.83 33.68 3i1r s LYS 159 CO 0.00 -0.81 0.00 0.41 -0.36 0.00 0.00 175.35 174.59 3i1r n GLY 160 N 0.59 0.67 3.73 5.54 0.00 -0.05 -1.00 105.19 114.67 3i1r n GLY 160 Ca 0.05 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.46 3i1r n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1r s VAL 161 N -0.79 4.04 0.00 1.61 1.01 0.46 -2.14 120.40 124.59 3i1r s VAL 161 Ca 0.00 1.63 0.00 0.00 0.00 0.00 0.00 61.98 63.61 3i1r s VAL 161 Cb 0.00 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.34 3i1r s VAL 161 CO 0.00 0.22 0.00 0.54 0.00 0.00 0.00 175.10 175.86 3i1r n ARG 162 N 3.00 2.05 0.00 2.72 1.74 -0.88 -4.05 116.66 121.24 3i1r n ARG 162 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 3i1r n ARG 162 Cb 0.47 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.91 3i1r n ARG 162 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3i1r n TYR 163 N 0.00 0.00 0.00 -1.55 4.01 -1.26 -3.70 117.16 114.66 3i1r n TYR 163 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3i1r n TYR 163 Cb 0.00 0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 3i1r n TYR 163 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3i1r n ALA 164 N -2.13 0.00 0.08 -0.72 0.00 -1.26 -4.03 120.51 112.46 3i1r n ALA 164 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1r n ALA 164 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i1r n ALA 164 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i1r n ASP 165 N 0.00 3.71 -4.88 0.00 8.00 -1.26 -4.91 116.55 117.21 3i1r n ASP 165 Ca 0.00 -1.99 -0.30 0.00 0.71 0.00 0.00 54.79 53.22 3i1r n ASP 165 Cb 0.00 -0.74 -0.03 0.00 -0.02 0.00 0.00 41.12 40.33 3i1r n ASP 165 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 3i1r s GLU 166 N 0.25 3.72 0.00 -1.24 4.04 -1.26 -5.00 118.70 119.21 3i1r s GLU 166 Ca 0.00 0.38 0.00 0.00 0.04 0.00 0.00 54.97 55.39 3i1r s GLU 166 Cb 0.00 -2.41 0.00 0.00 0.02 0.00 0.00 34.13 31.74 3i1r s GLU 166 CO 0.00 -0.04 0.00 1.33 -1.84 0.00 0.00 175.26 174.71 3i1r n VAL 167 N -1.44 0.00 -3.30 1.83 0.24 -1.26 -5.10 118.33 109.30 3i1r n VAL 167 Ca 0.02 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.08 3i1r n VAL 167 Cb 0.54 -1.32 0.02 0.00 -1.47 0.00 0.00 33.84 31.61 3i1r n VAL 167 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 3i1r n VAL 168 N -2.91 -4.79 -0.26 3.34 0.24 -1.26 -4.86 118.33 107.83 3i1r n VAL 168 Ca 0.00 0.39 -0.06 0.00 -2.04 0.00 0.00 64.34 62.63 3i1r n VAL 168 Cb 0.42 -4.06 0.06 0.00 -1.47 0.00 0.00 33.84 28.78 3i1r n VAL 168 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 3i1r h ARG 169 N 2.52 1.02 -3.31 7.34 3.08 -1.94 -3.48 114.38 119.61 3i1r h ARG 169 Ca -0.33 -0.12 0.08 0.00 0.07 0.00 0.00 59.98 59.68 3i1r h ARG 169 Cb 1.18 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 30.98 3i1r h ARG 169 CO 0.16 0.76 -0.85 0.25 -1.07 0.00 0.00 179.97 179.22 3i1r n THR 170 N -4.47 -1.86 -3.59 2.04 -2.24 -1.23 -5.07 114.28 97.86 3i1r n THR 170 Ca 0.06 1.05 -0.08 0.00 -2.27 0.00 0.00 64.05 62.81 3i1r n THR 170 Cb 0.09 -1.71 -0.02 0.00 -2.10 0.00 0.00 70.33 66.60 3i1r n THR 170 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3i1r s LYS 171 N -4.95 1.16 -0.06 -0.78 2.47 0.30 -4.97 119.74 112.91 3i1r s LYS 171 Ca 0.00 -0.53 -0.16 0.00 -1.56 0.00 0.00 55.97 53.73 3i1r s LYS 171 Cb 0.00 0.47 -0.05 0.00 -1.46 0.00 0.00 37.83 36.79 3i1r s LYS 171 CO 0.00 -0.52 0.41 -1.21 0.16 0.00 0.00 175.35 174.19 3i1r s GLU 172 N -3.43 4.09 1.11 4.03 0.41 -1.26 -4.60 118.70 119.05 3i1r s GLU 172 Ca 0.07 0.38 -0.18 0.00 -0.41 0.00 0.00 54.97 54.82 3i1r s GLU 172 Cb -0.02 -3.32 0.12 0.00 -1.78 0.00 0.00 34.13 29.14 3i1r s GLU 172 CO -0.05 0.46 0.06 0.00 -0.49 0.00 0.00 175.26 175.24 3i1r n ALA 173 N 2.63 -3.41 -0.49 5.21 0.00 -1.26 -4.93 120.51 118.26 3i1r n ALA 173 Ca -0.12 -1.27 -0.29 0.00 0.00 0.00 0.00 53.44 51.77 3i1r n ALA 173 Cb 0.52 -1.32 0.25 0.00 0.00 0.00 0.00 19.45 18.90 3i1r n ALA 173 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3i1r n LYS 174 N -2.00 -2.33 -2.73 0.00 -0.00 -1.26 -4.88 118.16 104.95 3i1r n LYS 174 Ca 0.02 -0.65 -0.42 0.00 -0.00 0.00 0.00 58.31 57.26 3i1r n LYS 174 Cb 0.56 -2.19 -0.03 0.00 -0.00 0.00 0.00 35.03 33.37 3i1r n LYS 174 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3i1r s LYS 175 N -4.42 3.53 0.00 -1.58 -0.14 -1.26 -5.32 119.74 110.56 3i1r s LYS 175 Ca 0.69 -1.31 0.00 0.00 -1.36 0.00 0.00 55.97 53.99 3i1r s LYS 175 Cb -0.25 -5.02 0.00 0.00 -1.68 0.00 0.00 37.83 30.88 3i1r s LYS 175 CO 0.65 -2.00 0.00 1.17 -0.76 0.00 0.00 175.35 174.41