#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9p n PRO 11 N 0.00 0.08 -3.74 0.00 -0.04 -1.26 -4.68 135.00 125.36 3i9p n PRO 11 Ca 0.00 0.09 -0.22 0.00 -0.04 0.00 0.00 63.50 63.33 3i9p n PRO 11 Cb 0.00 -1.60 -0.18 0.00 -0.04 0.00 0.00 33.50 31.68 3i9p n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3i9p s LEU 12 N -3.49 0.47 0.01 1.53 2.96 -1.26 0.56 118.68 119.46 3i9p s LEU 12 Ca 0.12 -0.05 0.02 0.00 -0.22 0.00 0.00 54.13 54.01 3i9p s LEU 12 Cb 0.16 -0.36 -0.01 0.00 0.50 0.00 0.00 46.19 46.48 3i9p s LEU 12 CO 0.53 -0.21 -0.08 0.00 -1.32 0.00 0.00 176.35 175.27 3i9p s MET 13 N 2.03 0.59 -0.14 1.98 0.23 0.33 -4.26 119.30 120.06 3i9p s MET 13 Ca 0.05 -0.40 0.00 0.00 -1.03 0.00 0.00 55.69 54.31 3i9p s MET 13 Cb -0.12 -0.53 -0.01 0.00 -1.53 0.00 0.00 34.83 32.64 3i9p s MET 13 CO -0.05 0.14 -0.15 0.08 -2.03 0.00 0.00 175.02 173.01 3i9p s VAL 14 N -0.48 2.74 -0.10 5.16 1.01 -0.90 -0.23 120.40 127.60 3i9p s VAL 14 Ca 0.00 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.25 3i9p s VAL 14 Cb -0.05 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.19 3i9p s VAL 14 CO 0.00 0.52 -0.20 -0.75 0.00 0.00 0.00 175.10 174.67 3i9p s LYS 15 N 0.61 2.60 -0.08 2.72 2.20 0.44 0.10 119.74 128.33 3i9p s LYS 15 Ca -0.09 -0.72 0.03 0.00 -0.36 0.00 0.00 55.97 54.83 3i9p s LYS 15 Cb -0.16 -2.03 0.01 0.00 -1.51 0.00 0.00 37.83 34.14 3i9p s LYS 15 CO 0.03 0.10 -0.17 0.08 -0.36 0.00 0.00 175.35 175.02 3i9p s VAL 16 N 0.53 1.54 0.13 4.02 1.01 0.14 -0.41 120.40 127.37 3i9p s VAL 16 Ca -0.15 -0.72 0.09 0.00 0.00 0.00 0.00 61.98 61.20 3i9p s VAL 16 Cb -0.17 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 3i9p s VAL 16 CO 0.06 0.45 -0.19 -0.76 0.00 0.00 0.00 175.10 174.65 3i9p s LEU 17 N 0.54 2.64 -0.37 3.92 1.43 0.25 -0.37 118.68 126.72 3i9p s LEU 17 Ca -0.16 -0.61 -0.10 0.00 -1.03 0.00 0.00 54.13 52.23 3i9p s LEU 17 Cb -0.17 -1.47 0.03 0.00 0.03 0.00 0.00 46.19 44.61 3i9p s LEU 17 CO 0.06 0.17 0.18 -0.62 0.23 0.00 0.00 176.35 176.37 3i9p s ASP 18 N -2.20 5.63 0.00 2.29 -1.08 0.14 -0.26 116.67 121.19 3i9p s ASP 18 Ca 0.18 -1.03 0.23 0.00 -0.52 0.00 0.00 52.55 51.41 3i9p s ASP 18 Cb -0.10 -1.99 1.03 0.00 -1.46 0.00 0.00 42.92 40.40 3i9p s ASP 18 CO 0.10 -0.37 1.75 0.00 0.52 0.00 0.00 175.17 177.17 3i9p n ALA 19 N 4.95 2.09 0.06 3.66 0.00 0.87 -0.54 120.51 131.60 3i9p n ALA 19 Ca -0.12 -0.09 -0.23 0.00 0.00 0.00 0.00 53.44 53.01 3i9p n ALA 19 Cb 0.46 -1.38 -0.15 0.00 0.00 0.00 0.00 19.45 18.38 3i9p n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i9p h VAL 20 N 0.00 1.01 -0.01 0.00 2.07 -1.94 -3.39 116.25 113.99 3i9p h VAL 20 Ca 0.00 -2.49 0.00 0.00 0.82 0.00 0.00 66.70 65.03 3i9p h VAL 20 Cb 0.37 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 3i9p h VAL 20 CO 0.00 0.80 -0.26 0.54 0.02 0.00 0.00 177.57 178.67 3i9p n ARG 21 N -3.73 1.60 -3.50 1.57 1.74 -1.18 -4.98 116.66 108.18 3i9p n ARG 21 Ca -0.24 -0.97 -0.19 0.00 -0.77 0.00 0.00 57.85 55.68 3i9p n ARG 21 Cb 1.01 -1.29 0.08 0.00 -1.02 0.00 0.00 32.46 31.24 3i9p n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i9p n GLY 22 N 1.11 -0.38 3.14 -0.13 0.00 0.30 -4.97 105.19 104.26 3i9p n GLY 22 Ca 0.07 0.13 -0.08 0.00 0.00 0.00 0.00 46.02 46.14 3i9p n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i9p s SER 23 N -4.20 0.28 0.50 1.61 1.04 -0.98 -4.99 113.70 106.97 3i9p s SER 23 Ca 0.09 -0.78 -0.23 0.00 0.48 0.00 0.00 55.95 55.52 3i9p s SER 23 Cb -0.04 0.26 -0.07 0.00 0.10 0.00 0.00 66.02 66.27 3i9p s SER 23 CO 0.74 -0.64 1.23 -0.81 0.98 0.00 0.00 173.24 174.74 3i9p n PRO 24 N 0.14 1.62 -2.97 4.02 -0.04 -1.26 0.26 135.00 136.77 3i9p n PRO 24 Ca -0.15 0.59 -0.43 0.00 -0.04 0.00 0.00 63.50 63.47 3i9p n PRO 24 Cb 0.61 -2.39 -0.05 0.00 -0.04 0.00 0.00 33.50 31.63 3i9p n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i9p s ALA 25 N -1.29 3.26 0.18 0.55 0.00 0.50 -4.52 121.76 120.44 3i9p s ALA 25 Ca 0.68 -1.31 -0.02 0.00 0.00 0.00 0.00 51.96 51.31 3i9p s ALA 25 Cb -0.46 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.07 3i9p s ALA 25 CO 0.53 -2.13 0.38 0.96 0.00 0.00 0.00 175.76 175.49 3i9p s ILE 26 N 3.37 5.20 -1.40 0.00 -4.36 -1.26 -4.28 121.20 118.47 3i9p s ILE 26 Ca 0.26 -0.24 -0.06 0.00 -0.26 0.00 0.00 60.65 60.35 3i9p s ILE 26 Cb -0.14 -3.69 0.03 0.00 1.25 0.00 0.00 42.46 39.91 3i9p s ILE 26 CO 0.18 -0.09 0.47 0.59 0.24 0.00 0.00 174.94 176.33 3i9p n ASN 27 N -0.38 -4.85 -4.66 4.36 3.02 0.28 -4.90 115.26 108.11 3i9p n ASN 27 Ca -0.04 -0.27 -0.41 0.00 -0.03 0.00 0.00 54.58 53.82 3i9p n ASN 27 Cb 0.53 -3.97 -0.04 0.00 -0.61 0.00 0.00 39.78 35.68 3i9p n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i9p s VAL 28 N -3.01 4.87 0.24 2.41 1.01 -1.26 -4.71 120.40 119.96 3i9p s VAL 28 Ca 0.30 1.61 -0.30 0.00 0.00 0.00 0.00 61.98 63.60 3i9p s VAL 28 Cb -0.15 -4.13 -0.09 0.00 0.00 0.00 0.00 36.38 32.01 3i9p s VAL 28 CO 0.37 0.00 1.19 0.00 0.00 0.00 0.00 175.10 176.67 3i9p s ALA 29 N 2.33 3.44 -0.07 5.51 0.00 -1.26 -1.09 121.76 130.62 3i9p s ALA 29 Ca 0.37 1.00 -0.01 0.00 0.00 0.00 0.00 51.96 53.32 3i9p s ALA 29 Cb -0.16 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.58 3i9p s ALA 29 CO 0.11 -0.36 -0.02 0.08 0.00 0.00 0.00 175.76 175.57 3i9p s VAL 30 N -0.59 0.48 -0.14 0.00 1.01 0.14 0.06 120.40 121.37 3i9p s VAL 30 Ca 0.50 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.49 3i9p s VAL 30 Cb -0.34 -0.59 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 3i9p s VAL 30 CO 0.41 0.26 -0.15 -1.00 0.00 0.00 0.00 175.10 174.61 3i9p s HIS 31 N 1.63 2.76 -0.14 5.22 3.76 0.94 -0.87 115.29 128.61 3i9p s HIS 31 Ca 0.00 -0.86 -0.03 0.00 -0.15 0.00 0.00 55.06 54.02 3i9p s HIS 31 Cb -0.13 -1.85 -0.03 0.00 1.11 0.00 0.00 32.58 31.69 3i9p s HIS 31 CO -0.04 -0.35 -0.04 0.08 -0.85 0.00 0.00 174.74 173.54 3i9p s VAL 32 N 0.55 3.88 0.12 -0.90 1.01 0.36 0.93 120.40 126.35 3i9p s VAL 32 Ca -0.10 -0.37 0.09 0.00 0.00 0.00 0.00 61.98 61.60 3i9p s VAL 32 Cb -0.16 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 3i9p s VAL 32 CO 0.04 0.52 -0.21 -0.36 0.00 0.00 0.00 175.10 175.09 3i9p s PHE 33 N 0.10 1.86 -0.07 5.22 0.08 0.20 0.27 117.98 125.64 3i9p s PHE 33 Ca -0.01 -0.43 0.05 0.00 0.12 0.00 0.00 56.93 56.67 3i9p s PHE 33 Cb -0.14 -0.99 -0.00 0.00 -0.57 0.00 0.00 43.02 41.32 3i9p s PHE 33 CO 0.03 0.26 -0.23 0.50 -0.10 0.00 0.00 175.22 175.68 3i9p s ARG 34 N -2.17 2.54 0.00 0.44 3.52 0.57 0.17 118.95 124.02 3i9p s ARG 34 Ca 0.10 -0.82 -0.30 0.00 -0.13 0.00 0.00 55.73 54.58 3i9p s ARG 34 Cb -0.09 -2.06 -0.06 0.00 -1.56 0.00 0.00 34.95 31.18 3i9p s ARG 34 CO 0.05 0.27 1.45 0.21 -0.81 0.00 0.00 175.30 176.47 3i9p s LYS 35 N 0.09 4.26 0.89 5.12 2.20 0.93 -0.26 119.74 132.97 3i9p s LYS 35 Ca -0.10 2.02 -0.11 0.00 -0.36 0.00 0.00 55.97 57.43 3i9p s LYS 35 Cb -0.15 -3.60 0.18 0.00 -1.51 0.00 0.00 37.83 32.75 3i9p s LYS 35 CO 0.05 -0.62 1.22 0.00 -0.36 0.00 0.00 175.35 175.64 3i9p s ALA 36 N 2.55 2.74 0.23 3.13 0.00 0.16 -4.63 121.76 125.94 3i9p s ALA 36 Ca 0.65 -1.42 -0.13 0.00 0.00 0.00 0.00 51.96 51.06 3i9p s ALA 36 Cb -0.32 -2.49 0.29 0.00 0.00 0.00 0.00 23.12 20.59 3i9p s ALA 36 CO 0.27 -2.14 1.45 0.00 0.00 0.00 0.00 175.76 175.34 3i9p n ALA 37 N -3.47 -0.01 0.00 0.00 0.00 -1.26 0.14 120.51 115.92 3i9p n ALA 37 Ca 0.16 0.96 0.00 0.00 0.00 0.00 0.00 53.44 54.56 3i9p n ALA 37 Cb 0.60 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.57 3i9p n ALA 37 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i9p n ASP 38 N -5.42 0.00 0.00 0.00 2.03 -1.26 -5.04 116.55 106.86 3i9p n ASP 38 Ca 0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.42 3i9p n ASP 38 Cb 0.40 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.80 3i9p n ASP 38 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3i9p n ASP 39 N 0.61 0.00 -4.85 1.67 9.92 0.12 -5.02 116.55 119.00 3i9p n ASP 39 Ca 0.00 0.00 -0.32 0.00 -0.53 0.00 0.00 54.79 53.94 3i9p n ASP 39 Cb 0.00 -0.53 -0.06 0.00 -0.64 0.00 0.00 41.12 39.89 3i9p n ASP 39 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3i9p s THR 40 N -2.86 4.65 -0.38 -3.53 -4.23 -1.26 -4.73 115.64 103.30 3i9p s THR 40 Ca 0.00 0.99 -0.28 0.00 -1.18 0.00 0.00 61.69 61.22 3i9p s THR 40 Cb 0.00 -3.62 0.02 0.00 1.34 0.00 0.00 72.50 70.24 3i9p s THR 40 CO 0.00 -0.25 1.06 0.26 -0.54 0.00 0.00 174.62 175.15 3i9p s TRP 41 N -2.07 3.02 0.02 3.99 0.52 -1.26 0.39 118.94 123.55 3i9p s TRP 41 Ca 0.55 0.94 -0.20 0.00 0.02 0.00 0.00 56.10 57.41 3i9p s TRP 41 Cb -0.10 -3.94 -0.06 0.00 -1.15 0.00 0.00 33.47 28.22 3i9p s TRP 41 CO 0.19 -0.95 0.58 -1.21 0.02 0.00 0.00 176.95 175.57 3i9p s GLU 42 N 3.89 4.27 -0.04 4.98 2.02 0.64 -4.88 118.70 129.58 3i9p s GLU 42 Ca 0.45 0.72 -0.31 0.00 0.02 0.00 0.00 54.97 55.85 3i9p s GLU 42 Cb -0.10 -3.31 -0.09 0.00 0.10 0.00 0.00 34.13 30.73 3i9p s GLU 42 CO 0.22 0.46 2.00 -2.30 0.02 0.00 0.00 175.26 175.66 3i9p n PRO 43 N 2.39 2.52 -0.12 0.39 -0.02 -1.26 -0.31 135.00 138.59 3i9p n PRO 43 Ca -0.08 0.89 -0.21 0.00 -2.02 0.00 0.00 63.50 62.08 3i9p n PRO 43 Cb 0.51 -2.95 -0.10 0.00 -0.02 0.00 0.00 33.50 30.94 3i9p n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3i9p n PHE 44 N 8.07 0.00 -3.60 6.00 7.35 0.14 -4.84 117.46 130.58 3i9p n PHE 44 Ca 0.23 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.88 3i9p n PHE 44 Cb 0.38 -0.89 -0.02 0.00 0.35 0.00 0.00 39.48 39.30 3i9p n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3i9p s ALA 45 N -2.46 -2.07 0.23 3.13 0.00 -0.65 -4.99 121.76 114.95 3i9p s ALA 45 Ca -0.33 1.30 -0.22 0.00 0.00 0.00 0.00 51.96 52.71 3i9p s ALA 45 Cb 0.10 0.06 0.04 0.00 0.00 0.00 0.00 23.12 23.33 3i9p s ALA 45 CO 0.49 -0.72 0.72 -1.54 0.00 0.00 0.00 175.76 174.71 3i9p s SER 46 N -2.41 -0.34 0.00 0.00 1.04 -1.26 0.13 113.70 110.87 3i9p s SER 46 Ca 0.10 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.12 3i9p s SER 46 Cb 0.00 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.78 3i9p s SER 46 CO -0.05 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 173.60 3i9p n GLY 47 N -0.43 -1.23 3.10 7.32 0.00 -0.05 -4.97 105.19 108.93 3i9p n GLY 47 Ca -0.08 -0.92 -0.22 0.00 0.00 0.00 0.00 46.02 44.81 3i9p n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i9p s LYS 48 N -0.99 1.07 0.49 1.61 2.36 -1.26 0.28 119.74 123.30 3i9p s LYS 48 Ca 0.00 -0.48 -0.22 0.00 -2.55 0.00 0.00 55.97 52.71 3i9p s LYS 48 Cb 0.00 -1.03 -0.06 0.00 -1.05 0.00 0.00 37.83 35.68 3i9p s LYS 48 CO 0.00 0.28 1.24 0.95 1.55 0.00 0.00 175.35 179.37 3i9p s THR 49 N -0.33 2.72 0.00 3.43 -4.23 -0.25 -4.69 115.64 112.29 3i9p s THR 49 Ca 0.05 0.54 0.00 0.00 -1.18 0.00 0.00 61.69 61.10 3i9p s THR 49 Cb -0.05 -3.27 0.00 0.00 1.34 0.00 0.00 72.50 70.52 3i9p s THR 49 CO -0.00 -0.01 0.00 -1.54 -0.54 0.00 0.00 174.62 172.53 3i9p n SER 50 N -0.70 0.00 0.11 3.99 3.41 0.80 -0.56 113.62 120.66 3i9p n SER 50 Ca 0.08 -0.93 0.18 0.00 -0.26 0.00 0.00 58.87 57.94 3i9p n SER 50 Cb 0.47 0.00 0.73 0.00 -0.26 0.00 0.00 64.21 65.15 3i9p n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3i9p h GLU 51 N 0.00 0.00 -0.05 4.33 3.07 -1.94 -0.02 114.58 119.96 3i9p h GLU 51 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3i9p h GLU 51 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3i9p h GLU 51 CO 0.00 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 176.48 3i9p n SER 52 N -4.17 1.97 -0.01 1.42 3.41 -1.26 -4.75 113.62 110.23 3i9p n SER 52 Ca 0.05 -1.67 -0.00 0.00 -0.26 0.00 0.00 58.87 57.00 3i9p n SER 52 Cb 0.45 -0.02 -0.00 0.00 -0.26 0.00 0.00 64.21 64.38 3i9p n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i9p n GLY 53 N 1.23 0.47 3.71 5.00 0.00 -0.02 -4.72 105.19 110.86 3i9p n GLY 53 Ca 0.17 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 3i9p n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i9p s GLU 54 N -0.25 2.75 -0.23 1.61 2.02 -1.26 0.27 118.70 123.61 3i9p s GLU 54 Ca 0.00 -0.69 0.01 0.00 0.02 0.00 0.00 54.97 54.31 3i9p s GLU 54 Cb 0.00 -2.65 0.06 0.00 0.10 0.00 0.00 34.13 31.63 3i9p s GLU 54 CO 0.00 0.59 -0.07 -1.17 0.02 0.00 0.00 175.26 174.62 3i9p s LEU 55 N -1.98 2.72 0.25 1.80 2.96 0.12 -0.14 118.68 124.41 3i9p s LEU 55 Ca 0.24 -1.18 0.09 0.00 -0.22 0.00 0.00 54.13 53.06 3i9p s LEU 55 Cb -0.12 -1.27 -0.04 0.00 0.50 0.00 0.00 46.19 45.26 3i9p s LEU 55 CO 0.15 -0.21 0.02 -1.00 -1.32 0.00 0.00 176.35 174.00 3i9p s HIS 56 N 1.33 2.77 -0.19 5.38 3.76 -1.26 -2.13 115.29 124.95 3i9p s HIS 56 Ca -0.06 -0.20 0.00 0.00 -0.15 0.00 0.00 55.06 54.65 3i9p s HIS 56 Cb -0.19 -1.24 0.00 0.00 1.11 0.00 0.00 32.58 32.26 3i9p s HIS 56 CO -0.06 0.60 0.00 0.41 -0.85 0.00 0.00 174.74 174.83 3i9p n GLY 57 N -0.84 0.48 0.23 -2.22 0.00 -1.26 -4.89 105.19 96.69 3i9p n GLY 57 Ca -0.07 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.98 3i9p n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i9p h LEU 58 N 0.00 0.28 0.00 0.99 3.38 -1.85 -3.47 115.31 114.64 3i9p h LEU 58 Ca -0.04 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 3i9p h LEU 58 Cb 0.26 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3i9p h LEU 58 CO 0.05 0.50 0.04 1.07 0.09 0.00 0.00 178.44 180.20 3i9p n THR 59 N -4.19 0.00 -4.36 0.22 5.66 -1.26 -4.78 114.28 105.56 3i9p n THR 59 Ca -0.01 -0.79 -0.18 0.00 -3.05 0.00 0.00 64.05 60.02 3i9p n THR 59 Cb 0.34 0.60 -0.10 0.00 -1.55 0.00 0.00 70.33 69.61 3i9p n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3i9p s THR 60 N -2.57 1.00 0.31 1.09 -4.23 -1.26 -4.38 115.64 105.61 3i9p s THR 60 Ca 0.13 -2.02 0.03 0.00 -1.18 0.00 0.00 61.69 58.65 3i9p s THR 60 Cb -0.02 -2.51 0.29 0.00 1.34 0.00 0.00 72.50 71.61 3i9p s THR 60 CO 0.09 -0.19 1.88 -0.33 -0.54 0.00 0.00 174.62 175.53 3i9p h GLU 61 N 2.36 0.89 -0.54 3.99 5.08 -1.98 0.12 114.58 124.50 3i9p h GLU 61 Ca -0.39 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 57.81 3i9p h GLU 61 Cb 1.23 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 3i9p h GLU 61 CO 0.65 0.59 -0.09 0.93 -1.00 0.00 0.00 179.01 180.09 3i9p h GLU 62 N 0.92 1.02 0.09 2.33 4.39 -2.04 -3.33 114.58 117.96 3i9p h GLU 62 Ca 0.44 -0.37 -0.32 0.00 0.34 0.00 0.00 59.36 59.45 3i9p h GLU 62 Cb 0.44 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 3i9p h GLU 62 CO -0.20 1.06 -1.72 1.49 -1.16 0.00 0.00 179.01 178.48 3i9p h GLU 63 N 0.90 0.19 -4.78 2.33 4.81 -1.85 -3.40 114.58 112.78 3i9p h GLU 63 Ca 0.14 -0.33 -0.69 0.00 -0.13 0.00 0.00 59.36 58.36 3i9p h GLU 63 Cb 0.66 0.12 -0.05 0.00 0.63 0.00 0.00 28.75 30.11 3i9p h GLU 63 CO 0.05 0.99 2.70 0.34 -0.73 0.00 0.00 179.01 182.36 3i9p n PHE 64 N -3.36 3.92 -2.16 0.92 7.35 0.36 -4.94 117.46 119.56 3i9p n PHE 64 Ca -0.21 -2.86 -0.27 0.00 -0.76 0.00 0.00 57.45 53.35 3i9p n PHE 64 Cb 1.05 -2.57 0.11 0.00 0.35 0.00 0.00 39.48 38.42 3i9p n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3i9p s VAL 65 N 3.82 2.15 0.40 -2.13 -7.23 -1.26 -4.91 120.40 111.24 3i9p s VAL 65 Ca 0.51 -0.22 -0.23 0.00 -1.81 0.00 0.00 61.98 60.22 3i9p s VAL 65 Cb 0.10 -2.92 -0.12 0.00 0.56 0.00 0.00 36.38 33.99 3i9p s VAL 65 CO -0.01 0.00 0.70 -0.62 -0.31 0.00 0.00 175.10 174.85 3i9p n GLU 66 N -3.18 0.79 0.00 4.82 1.02 -1.26 -4.82 120.64 118.01 3i9p n GLU 66 Ca 0.11 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 3i9p n GLU 66 Cb 0.60 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 3i9p n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i9p n GLY 67 N 1.60 -0.48 3.58 0.62 0.00 -1.09 -4.98 105.19 104.44 3i9p n GLY 67 Ca 0.11 -1.11 -0.37 0.00 0.00 0.00 0.00 46.02 44.65 3i9p n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i9p s ILE 68 N -2.00 4.97 0.08 -0.61 1.01 -1.26 -0.48 121.20 122.92 3i9p s ILE 68 Ca 0.00 0.05 0.07 0.00 0.00 0.00 0.00 60.65 60.77 3i9p s ILE 68 Cb 0.00 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 39.11 3i9p s ILE 68 CO 0.00 0.33 -0.13 -0.31 0.00 0.00 0.00 174.94 174.83 3i9p s TYR 69 N 1.33 2.68 -0.12 3.97 2.02 0.17 -0.05 117.35 127.34 3i9p s TYR 69 Ca 0.06 -0.18 0.01 0.00 -0.37 0.00 0.00 57.07 56.59 3i9p s TYR 69 Cb -0.15 -1.44 0.02 0.00 -0.40 0.00 0.00 41.96 39.99 3i9p s TYR 69 CO 0.06 0.38 -0.16 0.21 -1.57 0.00 0.00 175.55 174.47 3i9p s LYS 70 N -1.95 2.33 -0.35 -0.62 2.20 0.13 -0.69 119.74 120.78 3i9p s LYS 70 Ca 0.19 -0.59 -0.07 0.00 -0.36 0.00 0.00 55.97 55.14 3i9p s LYS 70 Cb -0.11 -2.01 0.05 0.00 -1.51 0.00 0.00 37.83 34.25 3i9p s LYS 70 CO 0.11 -0.11 0.13 0.08 -0.36 0.00 0.00 175.35 175.19 3i9p s VAL 71 N 1.12 3.82 -0.26 4.02 1.01 0.12 0.62 120.40 130.85 3i9p s VAL 71 Ca -0.03 -1.20 -0.12 0.00 0.00 0.00 0.00 61.98 60.63 3i9p s VAL 71 Cb -0.14 -3.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 3i9p s VAL 71 CO -0.04 -0.24 0.21 -1.61 0.00 0.00 0.00 175.10 173.42 3i9p s GLU 72 N 1.39 4.01 -0.24 2.72 2.02 0.26 -0.15 118.70 128.71 3i9p s GLU 72 Ca -0.01 -0.24 -0.08 0.00 0.02 0.00 0.00 54.97 54.67 3i9p s GLU 72 Cb -0.20 -3.61 -0.03 0.00 0.10 0.00 0.00 34.13 30.38 3i9p s GLU 72 CO 0.02 -0.11 0.08 0.42 0.02 0.00 0.00 175.26 175.69 3i9p s ILE 73 N 1.55 4.44 -1.15 -1.63 1.01 0.26 -0.04 121.20 125.64 3i9p s ILE 73 Ca 0.09 -0.13 -0.17 0.00 0.00 0.00 0.00 60.65 60.43 3i9p s ILE 73 Cb -0.15 -3.07 -0.05 0.00 0.01 0.00 0.00 42.46 39.20 3i9p s ILE 73 CO 0.09 0.35 2.10 -0.67 0.00 0.00 0.00 174.94 176.81 3i9p n ASP 74 N 4.75 3.35 0.04 3.58 2.03 0.11 -0.83 116.55 129.58 3i9p n ASP 74 Ca -0.16 -2.76 -0.04 0.00 0.52 0.00 0.00 54.79 52.35 3i9p n ASP 74 Cb 0.52 -1.41 0.18 0.00 -0.72 0.00 0.00 41.12 39.69 3i9p n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 3i9p h THR 75 N 4.19 1.29 0.08 5.18 1.35 -1.85 -3.05 112.91 120.10 3i9p h THR 75 Ca 0.51 -1.46 0.01 0.00 -0.55 0.00 0.00 66.41 64.92 3i9p h THR 75 Cb 0.64 1.55 -0.01 0.00 -1.73 0.00 0.00 68.15 68.59 3i9p h THR 75 CO 1.92 0.45 -0.11 0.50 -0.25 0.00 0.00 175.52 178.03 3i9p h LYS 76 N 0.34 -0.22 -0.83 4.72 3.64 -1.73 -0.68 116.57 121.81 3i9p h LYS 76 Ca 0.04 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.47 3i9p h LYS 76 Cb 0.79 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.62 3i9p h LYS 76 CO 0.06 -0.15 0.55 0.77 -2.27 0.00 0.00 179.45 178.41 3i9p h SER 77 N -0.23 0.88 0.32 4.20 0.02 -1.84 0.12 113.55 117.02 3i9p h SER 77 Ca 0.01 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3i9p h SER 77 Cb 0.23 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 3i9p h SER 77 CO -0.05 0.60 -0.29 0.22 -1.14 0.00 0.00 176.83 176.16 3i9p h TYR 78 N 1.02 -0.79 -0.48 3.45 3.20 -1.32 -1.05 116.97 121.00 3i9p h TYR 78 Ca 0.33 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.16 3i9p h TYR 78 Cb 0.05 0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 3i9p h TYR 78 CO -0.00 -0.43 0.12 -1.49 -1.64 0.00 0.00 178.16 174.72 3i9p h TRP 79 N -0.64 0.80 -0.31 -3.82 4.06 -0.63 -2.88 115.95 112.53 3i9p h TRP 79 Ca -0.02 -0.09 0.05 0.00 2.06 0.00 0.00 58.89 60.89 3i9p h TRP 79 Cb 0.57 -0.23 -0.05 0.00 -1.00 0.00 0.00 29.16 28.46 3i9p h TRP 79 CO -0.17 0.72 0.01 0.87 -3.56 0.00 0.00 178.44 176.31 3i9p h LYS 80 N 0.65 0.11 0.00 0.49 1.79 -0.37 -0.16 116.57 119.08 3i9p h LYS 80 Ca 0.15 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 3i9p h LYS 80 Cb 0.32 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 3i9p h LYS 80 CO 0.00 0.07 0.00 0.00 -1.08 0.00 0.00 179.45 178.44 3i9p h ALA 81 N 1.26 1.00 -0.62 3.86 0.00 -0.98 0.38 119.26 124.17 3i9p h ALA 81 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3i9p h ALA 81 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3i9p h ALA 81 CO -0.24 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.29 3i9p n LEU 82 N -2.34 3.77 0.00 0.00 4.77 -0.25 -4.95 117.00 118.00 3i9p n LEU 82 Ca -0.01 -2.06 0.00 0.00 -0.03 0.00 0.00 56.01 53.91 3i9p n LEU 82 Cb 0.08 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 3i9p n LEU 82 CO 0.13 0.90 0.00 0.61 -1.33 0.00 0.00 177.39 177.70 3i9p n GLY 83 N 1.27 0.76 3.66 -0.72 0.00 0.13 -5.03 105.19 105.26 3i9p n GLY 83 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 3i9p n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i9p s ILE 84 N -2.70 4.71 -0.73 -0.61 1.01 -0.24 -4.96 121.20 117.68 3i9p s ILE 84 Ca 0.00 -0.07 -0.18 0.00 0.00 0.00 0.00 60.65 60.40 3i9p s ILE 84 Cb 0.00 -3.09 0.13 0.00 0.01 0.00 0.00 42.46 39.51 3i9p s ILE 84 CO 0.00 0.51 0.84 -0.44 0.00 0.00 0.00 174.94 175.85 3i9p s SER 85 N 0.00 6.41 0.89 3.58 0.01 -1.26 -2.33 113.70 121.00 3i9p s SER 85 Ca 0.05 -1.80 -0.13 0.00 1.31 0.00 0.00 55.95 55.39 3i9p s SER 85 Cb -0.12 -2.32 0.13 0.00 0.21 0.00 0.00 66.02 63.92 3i9p s SER 85 CO 0.01 -1.02 1.16 -2.16 0.41 0.00 0.00 173.24 171.63 3i9p s PRO 86 N 2.31 1.28 -0.09 12.44 0.04 -1.26 -5.00 135.00 144.72 3i9p s PRO 86 Ca 0.19 0.20 -0.24 0.00 0.04 0.00 0.00 61.00 61.19 3i9p s PRO 86 Cb -0.16 -1.86 -0.20 0.00 0.04 0.00 0.00 34.50 32.32 3i9p s PRO 86 CO -0.00 -2.08 0.83 0.35 0.04 0.00 0.00 177.00 176.13 3i9p h PHE 87 N -1.41 -0.05 -3.95 0.56 3.57 -1.02 -3.47 116.94 111.17 3i9p h PHE 87 Ca -0.49 -0.00 -0.46 0.00 3.53 0.00 0.00 57.97 60.55 3i9p h PHE 87 Cb 1.33 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 40.06 3i9p h PHE 87 CO 0.16 0.62 0.28 -1.01 -2.23 0.00 0.00 178.31 176.14 3i9p s HIS 88 N -2.88 3.39 0.19 0.41 0.09 -1.26 -4.97 115.29 110.26 3i9p s HIS 88 Ca -0.15 1.54 0.04 0.00 -0.00 0.00 0.00 55.06 56.49 3i9p s HIS 88 Cb -0.01 -2.79 0.08 0.00 -0.00 0.00 0.00 32.58 29.87 3i9p s HIS 88 CO 0.58 -0.00 1.44 0.93 -0.00 0.00 0.00 174.74 177.68 3i9p h GLU 89 N 2.22 0.18 -2.11 1.40 4.39 -1.97 -3.37 114.58 115.33 3i9p h GLU 89 Ca -0.48 -0.18 0.22 0.00 0.34 0.00 0.00 59.36 59.26 3i9p h GLU 89 Cb 1.18 0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 29.79 3i9p h GLU 89 CO 0.63 0.88 0.58 -3.38 -1.16 0.00 0.00 179.01 176.55 3i9p s HIS 90 N -3.36 -0.10 -0.22 4.33 -3.43 -1.26 -3.45 115.29 107.79 3i9p s HIS 90 Ca -0.03 -0.16 -0.06 0.00 -0.80 0.00 0.00 55.06 54.02 3i9p s HIS 90 Cb 0.11 0.62 -0.02 0.00 -1.43 0.00 0.00 32.58 31.85 3i9p s HIS 90 CO 0.81 -0.69 0.02 0.00 -2.00 0.00 0.00 174.74 172.89 3i9p s ALA 91 N -3.03 3.04 -0.11 -1.38 0.00 -0.01 -4.87 121.76 115.41 3i9p s ALA 91 Ca 0.13 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 51.03 3i9p s ALA 91 Cb 0.00 -1.89 0.01 0.00 0.00 0.00 0.00 23.12 21.24 3i9p s ALA 91 CO 0.01 -0.35 -0.19 -1.83 0.00 0.00 0.00 175.76 173.40 3i9p s GLU 92 N 1.35 2.61 -0.20 0.00 -1.05 -1.26 0.90 118.70 121.06 3i9p s GLU 92 Ca 0.05 -0.72 -0.03 0.00 -0.15 0.00 0.00 54.97 54.12 3i9p s GLU 92 Cb -0.15 -2.08 -0.01 0.00 -0.44 0.00 0.00 34.13 31.46 3i9p s GLU 92 CO 0.01 0.05 -0.07 0.08 0.95 0.00 0.00 175.26 176.28 3i9p s VAL 93 N 0.67 3.20 -0.13 1.83 1.01 0.79 -4.94 120.40 122.82 3i9p s VAL 93 Ca -0.12 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.32 3i9p s VAL 93 Cb -0.16 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.79 3i9p s VAL 93 CO 0.03 0.45 -0.22 -0.69 0.00 0.00 0.00 175.10 174.67 3i9p s VAL 94 N 1.26 2.09 0.04 2.92 1.01 -1.26 0.15 120.40 126.62 3i9p s VAL 94 Ca 0.03 -0.98 -0.19 0.00 0.00 0.00 0.00 61.98 60.84 3i9p s VAL 94 Cb -0.14 -1.82 0.04 0.00 0.00 0.00 0.00 36.38 34.45 3i9p s VAL 94 CO -0.03 0.55 0.43 0.72 0.00 0.00 0.00 175.10 176.78 3i9p s PHE 95 N 0.68 -0.30 -0.06 5.22 -0.71 0.13 -4.96 117.98 117.98 3i9p s PHE 95 Ca -0.10 0.29 -0.29 0.00 -1.04 0.00 0.00 56.93 55.79 3i9p s PHE 95 Cb -0.16 0.24 -0.02 0.00 -1.21 0.00 0.00 43.02 41.87 3i9p s PHE 95 CO 0.01 -0.58 0.96 0.99 -1.34 0.00 0.00 175.22 175.26 3i9p s THR 96 N -2.40 4.85 0.01 -4.49 2.01 -1.26 0.44 115.64 114.80 3i9p s THR 96 Ca -0.06 1.98 0.04 0.00 0.31 0.00 0.00 61.69 63.96 3i9p s THR 96 Cb -0.01 -4.28 -0.03 0.00 0.01 0.00 0.00 72.50 68.18 3i9p s THR 96 CO -0.02 0.10 -0.08 0.00 -0.69 0.00 0.00 174.62 173.93 3i9p s ALA 97 N 1.46 2.96 -1.58 7.40 0.00 0.37 -4.74 121.76 127.63 3i9p s ALA 97 Ca 0.49 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 51.40 3i9p s ALA 97 Cb -0.19 -1.07 0.00 0.00 0.00 0.00 0.00 23.12 21.85 3i9p s ALA 97 CO 0.22 0.61 0.00 0.09 0.00 0.00 0.00 175.76 176.68 3i9p n ASN 98 N 1.53 -4.86 0.24 0.00 3.02 -1.26 -2.65 115.26 111.28 3i9p n ASN 98 Ca -0.15 0.27 0.08 0.00 -0.03 0.00 0.00 54.58 54.74 3i9p n ASN 98 Cb 0.52 -3.83 0.60 0.00 -0.61 0.00 0.00 39.78 36.47 3i9p n ASN 98 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 3i9p h ASP 99 N 0.00 0.00 -0.09 6.41 1.82 -1.92 -2.43 116.42 120.21 3i9p h ASP 99 Ca -0.34 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.23 3i9p h ASP 99 Cb 1.11 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 41.07 3i9p h ASP 99 CO 0.47 0.15 -0.54 -1.54 -1.61 0.00 0.00 179.24 176.17 3i9p n SER 100 N -4.10 2.09 0.00 2.28 3.41 -1.26 -5.08 113.62 110.96 3i9p n SER 100 Ca -0.02 -3.89 0.00 0.00 -0.26 0.00 0.00 58.87 54.70 3i9p n SER 100 Cb 0.23 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 3i9p n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i9p n GLY 101 N -1.07 2.98 3.75 5.00 0.00 -0.91 -5.04 105.19 109.90 3i9p n GLY 101 Ca 0.22 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 3i9p n GLY 101 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i9p n PRO 102 N -0.69 2.70 -4.37 1.61 -0.04 -1.26 -4.21 135.00 128.74 3i9p n PRO 102 Ca 0.00 0.96 -0.19 0.00 -0.04 0.00 0.00 63.50 64.23 3i9p n PRO 102 Cb 0.00 -2.74 -0.10 0.00 -0.04 0.00 0.00 33.50 30.62 3i9p n PRO 102 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3i9p s ARG 103 N -0.63 1.44 -0.18 0.54 1.81 -1.26 -4.87 118.95 115.80 3i9p s ARG 103 Ca 0.63 -1.75 -0.11 0.00 -1.72 0.00 0.00 55.73 52.78 3i9p s ARG 103 Cb -0.49 -0.70 -0.05 0.00 -0.45 0.00 0.00 34.95 33.26 3i9p s ARG 103 CO 0.50 -0.12 0.19 1.03 -0.68 0.00 0.00 175.30 176.21 3i9p s ARG 104 N -3.87 4.15 -0.19 3.54 0.52 0.21 -4.79 118.95 118.53 3i9p s ARG 104 Ca 0.31 -0.10 -0.02 0.00 -0.52 0.00 0.00 55.73 55.40 3i9p s ARG 104 Cb 0.06 -3.40 -0.00 0.00 0.52 0.00 0.00 34.95 32.13 3i9p s ARG 104 CO 0.11 0.32 -0.10 0.71 0.02 0.00 0.00 175.30 176.36 3i9p s TYR 105 N 0.28 2.88 -0.25 -0.53 2.02 0.19 -1.13 117.35 120.81 3i9p s TYR 105 Ca 0.11 -1.04 -0.08 0.00 -0.37 0.00 0.00 57.07 55.70 3i9p s TYR 105 Cb -0.12 -2.00 -0.03 0.00 -0.40 0.00 0.00 41.96 39.42 3i9p s TYR 105 CO 0.00 -0.53 0.08 0.99 -1.57 0.00 0.00 175.55 174.52 3i9p s THR 106 N 1.15 4.39 -0.46 -0.71 2.01 0.40 -0.52 115.64 121.90 3i9p s THR 106 Ca 0.01 -0.15 -0.15 0.00 0.31 0.00 0.00 61.69 61.71 3i9p s THR 106 Cb -0.14 -3.06 0.06 0.00 0.01 0.00 0.00 72.50 69.37 3i9p s THR 106 CO -0.03 0.33 0.38 -0.63 -0.69 0.00 0.00 174.62 173.98 3i9p s ILE 107 N 1.61 5.24 -0.16 1.82 -1.09 0.69 -0.49 121.20 128.81 3i9p s ILE 107 Ca 0.06 -0.98 -0.12 0.00 -2.23 0.00 0.00 60.65 57.38 3i9p s ILE 107 Cb -0.15 -4.09 -0.05 0.00 -1.58 0.00 0.00 42.46 36.59 3i9p s ILE 107 CO 0.04 -0.53 0.24 0.00 -1.23 0.00 0.00 174.94 173.46 3i9p s ALA 108 N 1.66 3.64 -0.06 9.38 0.00 0.10 -0.42 121.76 136.07 3i9p s ALA 108 Ca 0.04 -0.53 0.06 0.00 0.00 0.00 0.00 51.96 51.54 3i9p s ALA 108 Cb -0.23 -2.30 -0.01 0.00 0.00 0.00 0.00 23.12 20.58 3i9p s ALA 108 CO 0.07 0.17 -0.25 0.00 0.00 0.00 0.00 175.76 175.75 3i9p s ALA 109 N 0.26 2.16 -0.20 0.00 0.00 0.45 -0.22 121.76 124.22 3i9p s ALA 109 Ca 0.14 -1.04 -0.02 0.00 0.00 0.00 0.00 51.96 51.04 3i9p s ALA 109 Cb -0.12 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.31 3i9p s ALA 109 CO 0.03 0.41 -0.10 -1.17 0.00 0.00 0.00 175.76 174.92 3i9p s LEU 110 N -0.12 2.62 -0.14 0.00 2.96 0.21 -0.58 118.68 123.63 3i9p s LEU 110 Ca -0.05 -0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 53.35 3i9p s LEU 110 Cb -0.14 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 3i9p s LEU 110 CO 0.04 0.00 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.30 3i9p s LEU 111 N 1.32 3.39 0.13 -0.68 1.43 0.64 -1.58 118.68 123.34 3i9p s LEU 111 Ca 0.04 -0.03 0.05 0.00 -1.03 0.00 0.00 54.13 53.16 3i9p s LEU 111 Cb -0.14 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 3i9p s LEU 111 CO -0.06 0.23 -0.11 -0.44 0.23 0.00 0.00 176.35 176.20 3i9p s SER 112 N -0.02 1.81 0.42 2.29 0.01 0.21 -0.09 113.70 118.33 3i9p s SER 112 Ca 0.02 -0.93 0.12 0.00 1.31 0.00 0.00 55.95 56.48 3i9p s SER 112 Cb -0.13 -0.03 0.99 0.00 0.21 0.00 0.00 66.02 67.06 3i9p s SER 112 CO 0.02 -0.27 1.98 -0.65 0.41 0.00 0.00 173.24 174.73 3i9p h PRO 113 N 3.09 0.44 -0.12 12.44 0.11 -1.98 -2.55 132.00 143.43 3i9p h PRO 113 Ca -0.37 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3i9p h PRO 113 Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3i9p h PRO 113 CO 0.58 0.29 0.00 0.66 -0.21 0.00 0.00 178.00 179.33 3i9p n TYR 114 N -4.47 0.31 -3.60 0.65 4.01 -1.26 -0.32 117.16 112.47 3i9p n TYR 114 Ca 0.10 -0.75 -0.15 0.00 -0.16 0.00 0.00 57.90 56.94 3i9p n TYR 114 Cb 0.34 -0.14 -0.07 0.00 -0.31 0.00 0.00 39.34 39.16 3i9p n TYR 114 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3i9p s SER 115 N -1.81 -0.72 0.03 7.72 0.15 -0.96 -4.93 113.70 113.18 3i9p s SER 115 Ca 0.24 1.26 -0.01 0.00 0.70 0.00 0.00 55.95 58.14 3i9p s SER 115 Cb 0.19 1.22 -0.02 0.00 -1.71 0.00 0.00 66.02 65.70 3i9p s SER 115 CO 0.06 -0.34 -0.02 -0.72 1.20 0.00 0.00 173.24 173.42 3i9p s TYR 116 N -0.03 0.33 0.18 3.44 1.13 -1.26 0.66 117.35 121.80 3i9p s TYR 116 Ca -0.03 -0.69 0.10 0.00 -1.41 0.00 0.00 57.07 55.05 3i9p s TYR 116 Cb -0.04 -0.24 -0.04 0.00 -1.10 0.00 0.00 41.96 40.54 3i9p s TYR 116 CO 0.03 -0.27 -0.19 -1.54 -2.51 0.00 0.00 175.55 171.08 3i9p s SER 117 N -1.97 3.74 -0.01 -0.18 1.04 -0.62 -4.97 113.70 110.74 3i9p s SER 117 Ca -0.08 -0.75 0.03 0.00 0.48 0.00 0.00 55.95 55.63 3i9p s SER 117 Cb -0.04 -0.43 -0.01 0.00 0.10 0.00 0.00 66.02 65.65 3i9p s SER 117 CO -0.04 0.12 -0.10 0.28 0.98 0.00 0.00 173.24 174.48 3i9p s THR 118 N -1.65 0.82 -0.03 2.02 -1.32 -1.26 -0.62 115.64 113.61 3i9p s THR 118 Ca 0.22 -0.43 0.02 0.00 -1.21 0.00 0.00 61.69 60.29 3i9p s THR 118 Cb -0.08 -0.70 0.01 0.00 -1.51 0.00 0.00 72.50 70.21 3i9p s THR 118 CO 0.12 0.24 -0.10 -0.89 -2.21 0.00 0.00 174.62 171.78 3i9p s THR 119 N -0.15 0.86 -0.21 5.08 2.01 0.69 -4.97 115.64 118.95 3i9p s THR 119 Ca 0.02 -0.38 -0.08 0.00 0.31 0.00 0.00 61.69 61.56 3i9p s THR 119 Cb -0.05 -0.77 -0.04 0.00 0.01 0.00 0.00 72.50 71.65 3i9p s THR 119 CO -0.00 0.27 0.09 0.00 -0.69 0.00 0.00 174.62 174.29 3i9p s ALA 120 N 0.29 3.40 -0.29 7.40 0.00 -1.26 0.02 121.76 131.33 3i9p s ALA 120 Ca -0.05 -0.86 -0.08 0.00 0.00 0.00 0.00 51.96 50.97 3i9p s ALA 120 Cb -0.10 -2.05 -0.01 0.00 0.00 0.00 0.00 23.12 20.97 3i9p s ALA 120 CO 0.01 -0.05 0.09 0.08 0.00 0.00 0.00 175.76 175.90 3i9p s VAL 121 N 0.79 4.21 -0.17 0.00 1.01 0.35 -4.97 120.40 121.63 3i9p s VAL 121 Ca 0.05 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.55 3i9p s VAL 121 Cb -0.13 -3.11 0.01 0.00 0.00 0.00 0.00 36.38 33.15 3i9p s VAL 121 CO 0.02 0.15 -0.17 -0.69 0.00 0.00 0.00 175.10 174.41 3i9p s VAL 122 N 1.56 2.35 0.17 2.92 1.01 -1.26 -0.46 120.40 126.70 3i9p s VAL 122 Ca 0.04 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.23 3i9p s VAL 122 Cb -0.16 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 3i9p s VAL 122 CO 0.04 0.52 -0.13 0.42 0.00 0.00 0.00 175.10 175.94 3i9p s THR 123 N 1.11 1.51 -0.16 3.92 -4.23 -0.28 -4.96 115.64 112.56 3i9p s THR 123 Ca 0.00 -2.06 -0.07 0.00 -1.18 0.00 0.00 61.69 58.38 3i9p s THR 123 Cb -0.14 -1.88 -0.04 0.00 1.34 0.00 0.00 72.50 71.78 3i9p s THR 123 CO -0.07 -0.58 0.09 0.20 -0.54 0.00 0.00 174.62 173.72 3i9p s ASN 124 N -3.07 5.88 0.00 3.99 0.02 -1.26 -0.62 114.94 119.88 3i9p s ASN 124 Ca 0.18 0.22 0.00 0.00 -1.02 0.00 0.00 52.86 52.24 3i9p s ASN 124 Cb -0.01 -1.94 0.00 0.00 0.02 0.00 0.00 41.25 39.32 3i9p s ASN 124 CO 0.04 0.27 0.00 -2.65 0.02 0.00 0.00 177.10 174.78