#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c8i s LEU 16 N 0.00 4.37 0.05 0.64 2.96 -1.26 -1.61 118.68 123.83 3c8i s LEU 16 Ca 0.00 1.72 0.02 0.00 -0.22 0.00 0.00 54.13 55.65 3c8i s LEU 16 Cb 0.00 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.09 3c8i s LEU 16 CO 0.00 -0.30 -0.08 0.68 -1.32 0.00 0.00 176.35 175.33 3c8i s VAL 17 N 1.04 0.59 0.25 1.68 -7.23 -0.26 -4.93 120.40 111.53 3c8i s VAL 17 Ca 0.53 -1.22 -0.30 0.00 -1.81 0.00 0.00 61.98 59.18 3c8i s VAL 17 Cb -0.22 -0.79 -0.09 0.00 0.56 0.00 0.00 36.38 35.83 3c8i s VAL 17 CO 0.28 -0.45 1.04 -2.16 -0.31 0.00 0.00 175.10 173.51 3c8i s PRO 18 N -1.93 4.70 0.21 4.82 0.04 -1.26 -1.35 135.00 140.23 3c8i s PRO 18 Ca -0.06 1.68 0.04 0.00 0.04 0.00 0.00 61.00 62.69 3c8i s PRO 18 Cb -0.08 -3.24 -0.05 0.00 0.04 0.00 0.00 34.50 31.18 3c8i s PRO 18 CO -0.00 0.29 -0.02 0.00 0.04 0.00 0.00 177.00 177.30 3c8i s ALA 19 N -0.99 1.68 -0.18 8.56 0.00 -0.44 -1.74 121.76 128.66 3c8i s ALA 19 Ca 0.44 -1.69 -0.21 0.00 0.00 0.00 0.00 51.96 50.50 3c8i s ALA 19 Cb -0.29 0.41 0.06 0.00 0.00 0.00 0.00 23.12 23.29 3c8i s ALA 19 CO 0.37 -0.23 0.57 1.41 0.00 0.00 0.00 175.76 177.89 3c8i s MET 20 N -3.85 0.73 -0.04 0.00 0.00 0.34 -0.46 119.30 116.02 3c8i s MET 20 Ca 0.25 0.65 -0.30 0.00 0.00 0.00 0.00 55.69 56.30 3c8i s MET 20 Cb 0.05 0.35 -0.06 0.00 0.00 0.00 0.00 34.83 35.17 3c8i s MET 20 CO 0.06 -0.12 1.68 0.42 0.00 0.00 0.00 175.02 177.06 3c8i s ILE 21 N -0.03 3.53 -0.08 10.11 1.01 -0.65 -0.68 121.20 134.41 3c8i s ILE 21 Ca -0.03 0.64 0.16 0.00 0.00 0.00 0.00 60.65 61.43 3c8i s ILE 21 Cb -0.04 -3.41 -0.25 0.00 0.01 0.00 0.00 42.46 38.77 3c8i s ILE 21 CO 0.02 -0.06 0.38 0.00 0.00 0.00 0.00 174.94 175.29 3c8i n ALA 22 N 7.15 2.72 -3.55 9.38 0.00 0.77 -0.48 120.51 136.51 3c8i n ALA 22 Ca 0.17 -0.39 -0.15 0.00 0.00 0.00 0.00 53.44 53.08 3c8i n ALA 22 Cb 0.43 -0.56 -0.07 0.00 0.00 0.00 0.00 19.45 19.24 3c8i n ALA 22 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3c8i s GLU 23 N -3.08 0.81 -0.08 0.00 2.12 -1.06 -4.92 118.70 112.50 3c8i s GLU 23 Ca -0.05 0.77 0.02 0.00 0.36 0.00 0.00 54.97 56.07 3c8i s GLU 23 Cb 0.11 0.39 0.01 0.00 0.26 0.00 0.00 34.13 34.90 3c8i s GLU 23 CO 0.67 -0.14 -0.13 0.08 -0.54 0.00 0.00 175.26 175.21 3c8i s VAL 24 N 0.03 1.26 0.30 3.70 1.01 -1.26 -1.04 120.40 124.39 3c8i s VAL 24 Ca -0.02 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.47 3c8i s VAL 24 Cb -0.04 -1.15 -0.06 0.00 0.00 0.00 0.00 36.38 35.13 3c8i s VAL 24 CO 0.03 0.38 0.00 0.20 0.00 0.00 0.00 175.10 175.71 3c8i s ASN 25 N 0.73 2.53 0.19 3.32 0.01 0.31 -5.01 114.94 117.03 3c8i s ASN 25 Ca -0.13 -1.28 -0.13 0.00 -0.71 0.00 0.00 52.86 50.61 3c8i s ASN 25 Cb -0.16 -0.12 0.21 0.00 0.41 0.00 0.00 41.25 41.59 3c8i s ASN 25 CO 0.03 -0.48 1.67 -0.65 -1.51 0.00 0.00 177.10 176.16 3c8i h PRO 26 N 2.21 0.08 -0.06 -0.60 0.11 -2.04 -3.25 132.00 128.46 3c8i h PRO 26 Ca -0.40 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3c8i h PRO 26 Cb 1.24 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3c8i h PRO 26 CO 0.69 0.05 0.00 0.54 -0.21 0.00 0.00 178.00 179.07 3c8i n ARG 27 N -5.28 2.96 -3.88 1.05 5.12 -1.26 -5.04 116.66 110.33 3c8i n ARG 27 Ca 0.06 -1.61 -0.07 0.00 -1.93 0.00 0.00 57.85 54.29 3c8i n ARG 27 Cb 0.29 -1.06 -0.02 0.00 -1.16 0.00 0.00 32.46 30.51 3c8i n ARG 27 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 3c8i s ASP 28 N -1.02 -0.22 0.20 0.55 -4.77 -1.23 -4.81 116.67 105.37 3c8i s ASP 28 Ca 0.05 -0.68 -0.06 0.00 -3.30 0.00 0.00 52.55 48.56 3c8i s ASP 28 Cb 0.03 0.71 -0.02 0.00 -1.09 0.00 0.00 42.92 42.55 3c8i s ASP 28 CO 0.03 -1.33 0.25 0.00 0.70 0.00 0.00 175.17 174.82 3c8i s MET 29 N -3.87 1.26 -0.09 2.11 0.23 0.54 -0.53 119.30 118.95 3c8i s MET 29 Ca 0.13 -1.42 0.02 0.00 -1.03 0.00 0.00 55.69 53.38 3c8i s MET 29 Cb -0.05 0.34 0.01 0.00 -1.53 0.00 0.00 34.83 33.61 3c8i s MET 29 CO 0.07 -0.45 -0.14 0.08 -2.03 0.00 0.00 175.02 172.55 3c8i s VAL 30 N -4.07 1.36 -0.04 5.16 1.01 -0.21 -0.81 120.40 122.79 3c8i s VAL 30 Ca 0.29 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 3c8i s VAL 30 Cb 0.04 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 3c8i s VAL 30 CO 0.08 0.41 0.16 0.68 0.00 0.00 0.00 175.10 176.43 3c8i s VAL 31 N 0.90 5.39 -0.07 2.92 -7.23 -0.42 -0.16 120.40 121.73 3c8i s VAL 31 Ca -0.09 -0.07 0.04 0.00 -1.81 0.00 0.00 61.98 60.05 3c8i s VAL 31 Cb -0.15 -3.46 -0.02 0.00 0.56 0.00 0.00 36.38 33.31 3c8i s VAL 31 CO 0.00 0.42 -0.17 -0.32 -0.31 0.00 0.00 175.10 174.72 3c8i s MET 32 N -1.64 2.67 0.12 4.82 1.75 0.15 -1.21 119.30 125.95 3c8i s MET 32 Ca 0.23 -0.75 0.10 0.00 -1.25 0.00 0.00 55.69 54.02 3c8i s MET 32 Cb -0.12 -2.36 -0.04 0.00 2.84 0.00 0.00 34.83 35.15 3c8i s MET 32 CO 0.14 0.48 -0.25 0.00 -0.65 0.00 0.00 175.02 174.75 3c8i s ALA 33 N -0.38 2.45 -0.34 4.11 0.00 0.82 -0.50 121.76 127.92 3c8i s ALA 33 Ca 0.04 -1.42 -0.15 0.00 0.00 0.00 0.00 51.96 50.43 3c8i s ALA 33 Cb -0.12 -0.46 -0.01 0.00 0.00 0.00 0.00 23.12 22.52 3c8i s ALA 33 CO 0.02 0.55 0.35 -1.17 0.00 0.00 0.00 175.76 175.52 3c8i s LEU 34 N -1.99 4.41 0.18 0.00 2.96 -0.71 -1.32 118.68 122.21 3c8i s LEU 34 Ca 0.15 -0.21 0.07 0.00 -0.22 0.00 0.00 54.13 53.92 3c8i s LEU 34 Cb -0.10 -2.33 -0.04 0.00 0.50 0.00 0.00 46.19 44.22 3c8i s LEU 34 CO 0.07 -0.32 -0.15 0.68 -1.32 0.00 0.00 176.35 175.31 3c8i s VAL 35 N 2.00 1.65 -0.28 1.68 -7.23 -0.06 -4.29 120.40 113.86 3c8i s VAL 35 Ca 0.12 -2.08 -0.09 0.00 -1.81 0.00 0.00 61.98 58.11 3c8i s VAL 35 Cb -0.17 -1.92 -0.03 0.00 0.56 0.00 0.00 36.38 34.83 3c8i s VAL 35 CO 0.11 -0.53 0.14 0.21 -0.31 0.00 0.00 175.10 174.72 3c8i s ASN 36 N -3.07 5.56 0.00 4.85 2.47 -1.26 -0.34 114.94 123.15 3c8i s ASN 36 Ca 0.19 -0.24 0.28 0.00 0.42 0.00 0.00 52.86 53.51 3c8i s ASN 36 Cb -0.02 -2.02 1.02 0.00 -1.45 0.00 0.00 41.25 38.79 3c8i s ASN 36 CO 0.06 -0.09 1.73 0.35 -3.72 0.00 0.00 177.10 175.43 3c8i n THR 37 N 4.99 0.00 -2.20 -5.21 -2.24 -0.34 -4.86 114.28 104.43 3c8i n THR 37 Ca -0.15 -0.09 -0.41 0.00 -2.27 0.00 0.00 64.05 61.13 3c8i n THR 37 Cb 0.51 0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.84 3c8i n THR 37 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3c8i s ASN 38 N -2.47 6.88 0.19 3.42 0.01 -1.26 -0.84 114.94 120.86 3c8i s ASN 38 Ca 0.27 2.51 -0.02 0.00 -0.71 0.00 0.00 52.86 54.91 3c8i s ASN 38 Cb 0.20 -2.63 0.10 0.00 0.41 0.00 0.00 41.25 39.33 3c8i s ASN 38 CO 0.49 -0.49 1.48 0.58 -1.51 0.00 0.00 177.10 177.65 3c8i h VAL 39 N 3.39 1.34 -3.27 1.60 2.07 -1.75 -3.41 116.25 116.22 3c8i h VAL 39 Ca -0.47 -1.90 -0.61 0.00 0.82 0.00 0.00 66.70 64.54 3c8i h VAL 39 Cb 1.22 1.88 -0.12 0.00 -1.52 0.00 0.00 31.29 32.75 3c8i h VAL 39 CO 0.72 0.58 0.56 -0.62 0.02 0.00 0.00 177.57 178.83 3c8i s ASP 40 N -6.94 6.36 0.00 0.57 -1.08 -1.26 -4.92 116.67 109.40 3c8i s ASP 40 Ca -0.07 -0.29 0.22 0.00 -0.52 0.00 0.00 52.55 51.89 3c8i s ASP 40 Cb 0.11 -2.44 1.07 0.00 -1.46 0.00 0.00 42.92 40.21 3c8i s ASP 40 CO 0.84 -1.20 1.70 -0.81 0.52 0.00 0.00 175.17 176.22 3c8i n PRO 41 N 7.40 0.27 0.00 4.34 -0.04 -1.26 -2.76 135.00 142.94 3c8i n PRO 41 Ca 0.02 0.09 0.13 0.00 -0.04 0.00 0.00 63.50 63.71 3c8i n PRO 41 Cb 0.48 -1.50 0.51 0.00 -0.04 0.00 0.00 33.50 32.94 3c8i n PRO 41 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3c8i n THR 42 N -1.31 0.00 -2.08 0.52 -2.24 -1.26 -4.85 114.28 103.05 3c8i n THR 42 Ca 0.10 -0.03 -0.30 0.00 -2.27 0.00 0.00 64.05 61.54 3c8i n THR 42 Cb 0.18 -0.08 0.01 0.00 -2.10 0.00 0.00 70.33 68.34 3c8i n THR 42 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3c8i s LEU 43 N -2.74 3.34 0.35 3.22 1.43 -1.11 -5.03 118.68 118.14 3c8i s LEU 43 Ca 0.20 1.29 -0.28 0.00 -1.03 0.00 0.00 54.13 54.31 3c8i s LEU 43 Cb 0.19 -4.31 -0.12 0.00 0.03 0.00 0.00 46.19 41.98 3c8i s LEU 43 CO 0.55 -0.79 1.43 -2.65 0.23 0.00 0.00 176.35 175.12 3c8i n PRO 44 N -2.61 2.47 -1.81 1.29 -0.02 -1.26 -4.88 135.00 128.18 3c8i n PRO 44 Ca 0.05 0.87 -0.38 0.00 -2.02 0.00 0.00 63.50 62.01 3c8i n PRO 44 Cb 0.54 -2.55 0.04 0.00 -0.02 0.00 0.00 33.50 31.51 3c8i n PRO 44 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3c8i s PRO 45 N -1.72 3.21 -0.84 0.52 0.02 -1.26 -4.94 135.00 129.98 3c8i s PRO 45 Ca 0.56 2.22 -0.13 0.00 0.02 0.00 0.00 61.00 63.67 3c8i s PRO 45 Cb -0.52 -2.29 0.22 0.00 0.02 0.00 0.00 34.50 31.93 3c8i s PRO 45 CO 0.60 -1.13 0.78 0.50 -0.33 0.00 0.00 177.00 177.42 3c8i s ARG 46 N -2.87 3.60 0.31 5.54 3.52 -1.26 -5.03 118.95 122.76 3c8i s ARG 46 Ca 0.70 -2.55 -0.29 0.00 -0.13 0.00 0.00 55.73 53.47 3c8i s ARG 46 Cb -0.40 -4.40 -0.10 0.00 -1.56 0.00 0.00 34.95 28.50 3c8i s ARG 46 CO 0.48 -1.28 1.24 -1.58 -0.81 0.00 0.00 175.30 173.35 3c8i s TRP 47 N -0.00 3.22 0.08 5.12 0.23 -1.26 -1.19 118.94 125.13 3c8i s TRP 47 Ca 0.19 1.49 -0.10 0.00 -2.03 0.00 0.00 56.10 55.65 3c8i s TRP 47 Cb -0.11 -3.56 0.01 0.00 0.03 0.00 0.00 33.47 29.84 3c8i s TRP 47 CO -0.09 -1.46 0.23 0.00 0.96 0.00 0.00 176.95 176.59 3c8i s ALA 48 N -1.09 -0.37 -0.14 0.98 0.00 0.54 -0.82 121.76 120.84 3c8i s ALA 48 Ca 0.48 -0.44 -0.04 0.00 0.00 0.00 0.00 51.96 51.96 3c8i s ALA 48 Cb -0.37 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 3c8i s ALA 48 CO 0.49 -0.49 -0.03 -0.51 0.00 0.00 0.00 175.76 175.21 3c8i s LEU 49 N -2.66 3.32 -0.04 0.00 1.43 -0.04 -0.89 118.68 119.80 3c8i s LEU 49 Ca 0.02 -0.08 0.05 0.00 -1.03 0.00 0.00 54.13 53.10 3c8i s LEU 49 Cb 0.03 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 3c8i s LEU 49 CO -0.09 0.20 -0.19 0.00 0.23 0.00 0.00 176.35 176.50 3c8i s ALA 50 N 0.16 1.66 0.19 4.21 0.00 -0.44 -0.76 121.76 126.78 3c8i s ALA 50 Ca -0.01 -0.80 0.11 0.00 0.00 0.00 0.00 51.96 51.27 3c8i s ALA 50 Cb -0.14 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 3c8i s ALA 50 CO 0.03 0.34 -0.23 0.95 0.00 0.00 0.00 175.76 176.84 3c8i s THR 51 N -0.15 2.27 -0.13 0.00 -4.23 -0.87 -0.13 115.64 112.40 3c8i s THR 51 Ca -0.00 -2.03 -0.07 0.00 -1.18 0.00 0.00 61.69 58.41 3c8i s THR 51 Cb -0.11 -2.09 0.05 0.00 1.34 0.00 0.00 72.50 71.70 3c8i s THR 51 CO 0.01 -0.16 0.31 -0.60 -0.54 0.00 0.00 174.62 173.64 3c8i s ARG 52 N -2.73 0.27 -0.16 3.99 3.52 -0.35 -4.86 118.95 118.64 3c8i s ARG 52 Ca 0.20 0.66 -0.28 0.00 -0.13 0.00 0.00 55.73 56.18 3c8i s ARG 52 Cb -0.07 -0.06 -0.01 0.00 -1.56 0.00 0.00 34.95 33.25 3c8i s ARG 52 CO 0.10 -0.17 0.98 1.21 -0.81 0.00 0.00 175.30 176.60 3c8i s ASN 53 N 1.45 7.13 0.29 -2.12 3.84 -1.26 -1.31 114.94 122.96 3c8i s ASN 53 Ca -0.08 1.40 0.02 0.00 0.21 0.00 0.00 52.86 54.41 3c8i s ASN 53 Cb -0.10 -2.53 -0.04 0.00 -0.55 0.00 0.00 41.25 38.03 3c8i s ASN 53 CO -0.10 -0.51 0.14 0.27 -2.79 0.00 0.00 177.10 174.11 3c8i s ILE 54 N 2.43 0.39 -0.17 -5.21 -4.36 0.01 -4.99 121.20 109.31 3c8i s ILE 54 Ca 0.45 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.84 3c8i s ILE 54 Cb -0.17 -2.55 -0.11 0.00 1.25 0.00 0.00 42.46 40.89 3c8i s ILE 54 CO 0.13 0.00 -0.15 0.41 0.24 0.00 0.00 174.94 175.57 3c8i n THR 55 N -0.54 0.95 -3.67 8.37 -1.04 -1.26 -0.34 114.28 116.76 3c8i n THR 55 Ca 0.01 -0.36 -0.15 0.00 -2.04 0.00 0.00 64.05 61.51 3c8i n THR 55 Cb 0.65 -1.12 -0.07 0.00 -1.82 0.00 0.00 70.33 67.97 3c8i n THR 55 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3c8i s ALA 56 N -2.33 -1.15 -0.05 2.41 0.00 -1.26 -4.62 121.76 114.76 3c8i s ALA 56 Ca -0.22 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.41 3c8i s ALA 56 Cb 0.06 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.29 3c8i s ALA 56 CO 0.38 -0.32 -0.02 0.42 0.00 0.00 0.00 175.76 176.22 3c8i s ILE 57 N -1.41 0.39 0.06 0.00 1.01 -1.26 -5.02 121.20 114.97 3c8i s ILE 57 Ca -0.12 -0.01 -0.34 0.00 0.00 0.00 0.00 60.65 60.19 3c8i s ILE 57 Cb -0.03 -0.47 -0.13 0.00 0.01 0.00 0.00 42.46 41.85 3c8i s ILE 57 CO 0.05 0.21 1.71 -2.65 0.00 0.00 0.00 174.94 174.26 3c8i n PRO 58 N 4.31 2.21 0.00 2.79 -0.02 -1.26 -0.52 135.00 142.51 3c8i n PRO 58 Ca -0.22 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3c8i n PRO 58 Cb 0.50 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 3c8i n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3c8i n GLY 59 N 3.85 1.61 3.20 -1.23 0.00 -1.26 -4.82 105.19 106.55 3c8i n GLY 59 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3c8i n GLY 59 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3c8i s ILE 60 N -2.38 4.53 -0.03 -0.61 1.09 0.32 -4.93 121.20 119.19 3c8i s ILE 60 Ca 0.00 -2.66 0.02 0.00 -1.10 0.00 0.00 60.65 56.91 3c8i s ILE 60 Cb 0.00 -3.88 0.01 0.00 -1.06 0.00 0.00 42.46 37.53 3c8i s ILE 60 CO 0.00 -0.93 -0.06 -1.61 -0.10 0.00 0.00 174.94 172.24 3c8i s GLU 61 N 0.16 0.83 0.91 2.79 0.41 -1.26 -4.61 118.70 117.93 3c8i s GLU 61 Ca 0.16 -0.18 0.00 0.00 -0.41 0.00 0.00 54.97 54.54 3c8i s GLU 61 Cb -0.17 -0.80 0.00 0.00 -1.78 0.00 0.00 34.13 31.38 3c8i s GLU 61 CO -0.05 0.00 0.00 0.41 -0.49 0.00 0.00 175.26 175.13 3c8i n GLY 62 N 3.67 0.41 0.11 -1.39 0.00 -1.26 -2.53 105.19 104.20 3c8i n GLY 62 Ca -0.22 0.39 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 3c8i n GLY 62 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3c8i h ASP 63 N 0.00 0.26 0.95 1.61 3.32 -1.99 -2.39 116.42 118.17 3c8i h ASP 63 Ca 0.00 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.85 3c8i h ASP 63 Cb 0.00 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3c8i h ASP 63 CO 0.00 0.39 0.00 0.35 -1.72 0.00 0.00 179.24 178.26 3c8i n THR 64 N -4.82 0.01 -2.46 0.35 -2.24 -1.05 -4.38 114.28 99.68 3c8i n THR 64 Ca -0.04 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.31 3c8i n THR 64 Cb 0.14 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 3c8i n THR 64 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3c8i n ARG 65 N -1.47 3.20 -3.73 -0.78 0.63 -0.90 -4.72 116.66 108.89 3c8i n ARG 65 Ca 0.08 -3.28 -0.11 0.00 -0.92 0.00 0.00 57.85 53.62 3c8i n ARG 65 Cb 0.33 -3.31 -0.06 0.00 0.45 0.00 0.00 32.46 29.86 3c8i n ARG 65 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 3c8i s LYS 66 N 3.13 0.92 0.07 -0.14 -2.85 -1.26 -4.85 119.74 114.76 3c8i s LYS 66 Ca 0.49 -0.68 -0.35 0.00 -1.00 0.00 0.00 55.97 54.43 3c8i s LYS 66 Cb 0.05 0.40 -0.14 0.00 -2.06 0.00 0.00 37.83 36.08 3c8i s LYS 66 CO 0.02 -0.33 1.59 0.28 0.10 0.00 0.00 175.35 177.02 3c8i n VAL 67 N 0.11 0.13 0.00 1.79 0.31 -1.26 -2.24 118.33 117.17 3c8i n VAL 67 Ca -0.17 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 3c8i n VAL 67 Cb 0.62 -1.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.14 3c8i n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3c8i n GLY 68 N 3.45 2.34 3.73 2.92 0.00 0.37 -4.99 105.19 113.00 3c8i n GLY 68 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3c8i n GLY 68 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3c8i s THR 69 N -2.45 2.40 0.18 2.61 2.01 -0.95 -4.74 115.64 114.69 3c8i s THR 69 Ca 0.00 0.30 -0.30 0.00 0.31 0.00 0.00 61.69 62.00 3c8i s THR 69 Cb 0.00 -3.19 -0.08 0.00 0.01 0.00 0.00 72.50 69.24 3c8i s THR 69 CO 0.00 0.03 1.11 -0.13 -0.69 0.00 0.00 174.62 174.94 3c8i s ARG 70 N 0.65 4.59 -0.24 4.92 0.52 -1.26 -1.64 118.95 126.48 3c8i s ARG 70 Ca 0.68 1.72 -0.03 0.00 -0.52 0.00 0.00 55.73 57.59 3c8i s ARG 70 Cb -0.46 -3.28 0.08 0.00 0.52 0.00 0.00 34.95 31.82 3c8i s ARG 70 CO 0.36 0.06 0.08 0.42 0.02 0.00 0.00 175.30 176.24 3c8i s ILE 71 N -0.21 0.42 0.40 1.52 1.01 0.39 -4.95 121.20 119.78 3c8i s ILE 71 Ca 0.50 -0.76 -0.25 0.00 0.00 0.00 0.00 60.65 60.14 3c8i s ILE 71 Cb -0.29 -1.12 -0.08 0.00 0.01 0.00 0.00 42.46 40.97 3c8i s ILE 71 CO 0.35 -0.44 1.18 -2.16 0.00 0.00 0.00 174.94 173.87 3c8i s PRO 72 N 1.88 4.04 0.19 2.79 0.04 -1.26 -1.32 135.00 141.36 3c8i s PRO 72 Ca 0.04 1.85 -0.04 0.00 0.04 0.00 0.00 61.00 62.89 3c8i s PRO 72 Cb -0.17 -2.67 -0.03 0.00 0.04 0.00 0.00 34.50 31.67 3c8i s PRO 72 CO -0.18 -0.34 0.19 0.00 0.04 0.00 0.00 177.00 176.71 3c8i s ALA 73 N -1.41 0.75 0.05 8.56 0.00 -0.46 -1.43 121.76 127.82 3c8i s ALA 73 Ca 0.57 -1.43 0.06 0.00 0.00 0.00 0.00 51.96 51.17 3c8i s ALA 73 Cb -0.31 1.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.96 3c8i s ALA 73 CO 0.39 -0.62 -0.14 0.14 0.00 0.00 0.00 175.76 175.53 3c8i s VAL 74 N -4.10 3.11 -0.54 0.00 -7.23 -0.30 -1.10 120.40 110.23 3c8i s VAL 74 Ca 0.31 -1.15 -0.22 0.00 -1.81 0.00 0.00 61.98 59.12 3c8i s VAL 74 Cb 0.05 -2.37 0.05 0.00 0.56 0.00 0.00 36.38 34.68 3c8i s VAL 74 CO 0.08 0.28 0.80 0.00 -0.31 0.00 0.00 175.10 175.95 3c8i s ALA 75 N -1.03 3.26 -0.33 1.32 0.00 -0.64 -0.59 121.76 123.76 3c8i s ALA 75 Ca 0.17 -1.54 -0.22 0.00 0.00 0.00 0.00 51.96 50.37 3c8i s ALA 75 Cb -0.11 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.43 3c8i s ALA 75 CO 0.08 -2.27 0.73 0.08 0.00 0.00 0.00 175.76 174.39 3c8i s VAL 76 N 3.37 4.82 0.28 0.00 1.01 0.11 -4.69 120.40 125.29 3c8i s VAL 76 Ca 0.23 0.93 -0.17 0.00 0.00 0.00 0.00 61.98 62.96 3c8i s VAL 76 Cb -0.16 -4.13 -0.09 0.00 0.00 0.00 0.00 36.38 32.00 3c8i s VAL 76 CO 0.15 -0.30 0.74 0.42 0.00 0.00 0.00 175.10 176.11 3c8i s THR 77 N 2.90 4.62 0.00 3.92 -4.23 -1.26 -0.90 115.64 120.68 3c8i s THR 77 Ca 0.29 1.12 0.00 0.00 -1.18 0.00 0.00 61.69 61.92 3c8i s THR 77 Cb -0.14 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 69.97 3c8i s THR 77 CO 0.14 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.82 3c8i n GLY 78 N 0.13 1.78 3.75 3.99 0.00 -0.05 -4.96 105.19 109.83 3c8i n GLY 78 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3c8i n GLY 78 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3c8i s GLN 79 N 3.04 4.30 0.04 1.61 0.74 -1.26 -4.85 119.66 123.29 3c8i s GLN 79 Ca 0.00 2.24 0.09 0.00 0.05 0.00 0.00 55.36 57.74 3c8i s GLN 79 Cb 0.00 -3.13 -0.03 0.00 1.10 0.00 0.00 33.01 30.96 3c8i s GLN 79 CO 0.00 -0.36 -0.26 0.50 -0.55 0.00 0.00 175.29 174.62 3c8i s ARG 80 N -0.44 1.77 0.08 1.67 3.52 -1.26 0.30 118.95 124.60 3c8i s ARG 80 Ca 0.58 -1.09 -0.14 0.00 -0.13 0.00 0.00 55.73 54.95 3c8i s ARG 80 Cb -0.40 -1.94 0.02 0.00 -1.56 0.00 0.00 34.95 31.07 3c8i s ARG 80 CO 0.43 0.50 0.32 -1.54 -0.81 0.00 0.00 175.30 174.20 3c8i s SER 81 N -1.21 -0.11 -0.25 -2.12 1.04 -0.92 -4.91 113.70 105.22 3c8i s SER 81 Ca 0.11 -0.34 -0.00 0.00 0.48 0.00 0.00 55.95 56.20 3c8i s SER 81 Cb -0.10 0.40 0.04 0.00 0.10 0.00 0.00 66.02 66.46 3c8i s SER 81 CO 0.02 -0.73 -0.08 -0.69 0.98 0.00 0.00 173.24 172.74 3c8i s VAL 82 N -3.33 2.63 0.00 5.02 1.01 -1.26 -2.43 120.40 122.05 3c8i s VAL 82 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 60.78 3c8i s VAL 82 Cb 0.02 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 34.02 3c8i s VAL 82 CO -0.08 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.78 3c8i n GLY 83 N 4.60 1.74 0.25 4.51 0.00 -1.26 -4.94 105.19 110.09 3c8i n GLY 83 Ca -0.16 -0.03 0.16 0.00 0.00 0.00 0.00 46.02 45.99 3c8i n GLY 83 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3c8i h ASN 84 N 0.00 0.00 -5.02 1.61 -0.26 -2.05 -3.43 115.58 106.43 3c8i h ASN 84 Ca 0.00 0.00 -0.16 0.00 -0.56 0.00 0.00 56.30 55.58 3c8i h ASN 84 Cb 0.00 0.00 -0.15 0.00 -1.06 0.00 0.00 38.32 37.11 3c8i h ASN 84 CO 0.00 0.00 -0.69 0.00 -1.06 0.00 0.00 177.43 175.68 3c8i s GLN 85 N -3.57 0.67 -0.49 0.81 0.00 -1.26 -5.11 119.66 110.70 3c8i s GLN 85 Ca 0.02 -1.22 -0.15 0.00 -0.00 0.00 0.00 55.36 54.01 3c8i s GLN 85 Cb 0.09 0.06 0.09 0.00 0.00 0.00 0.00 33.01 33.25 3c8i s GLN 85 CO 0.53 -0.08 0.42 0.34 0.00 0.00 0.00 175.29 176.50 3c8i s ASP 86 N -2.87 6.13 0.05 12.60 -1.08 -1.26 -4.35 116.67 125.89 3c8i s ASP 86 Ca 0.07 -1.48 -0.04 0.00 -0.52 0.00 0.00 52.55 50.58 3c8i s ASP 86 Cb 0.06 -2.18 -0.02 0.00 -1.46 0.00 0.00 42.92 39.32 3c8i s ASP 86 CO -0.08 -0.70 0.06 -0.94 0.52 0.00 0.00 175.17 174.03 3c8i s SER 87 N 2.86 0.29 0.05 -0.34 1.04 -1.02 -2.08 113.70 114.51 3c8i s SER 87 Ca 0.04 -0.75 -0.31 0.00 0.48 0.00 0.00 55.95 55.41 3c8i s SER 87 Cb -0.26 0.24 -0.05 0.00 0.10 0.00 0.00 66.02 66.05 3c8i s SER 87 CO 0.05 -0.59 1.19 0.26 0.98 0.00 0.00 173.24 175.13 3c8i s TRP 88 N -3.41 3.43 -0.19 5.02 0.52 -0.02 -2.15 118.94 122.13 3c8i s TRP 88 Ca 0.02 1.31 0.17 0.00 0.02 0.00 0.00 56.10 57.62 3c8i s TRP 88 Cb 0.04 -3.41 0.05 0.00 -1.15 0.00 0.00 33.47 29.00 3c8i s TRP 88 CO -0.08 -1.22 1.30 -0.44 0.02 0.00 0.00 176.95 176.53 3c8i h ASP 89 N 6.85 0.00 -3.73 2.95 3.32 -0.49 -3.45 116.42 121.87 3c8i h ASP 89 Ca -0.41 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.30 3c8i h ASP 89 Cb 1.21 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.45 3c8i h ASP 89 CO 0.81 0.41 -0.76 -1.10 -1.72 0.00 0.00 179.24 176.89 3c8i s GLN 90 N -3.02 0.47 -0.06 3.56 -0.21 -1.18 -4.77 119.66 114.47 3c8i s GLN 90 Ca 0.03 -0.11 -0.02 0.00 0.02 0.00 0.00 55.36 55.27 3c8i s GLN 90 Cb 0.08 -0.50 0.04 0.00 1.00 0.00 0.00 33.01 33.62 3c8i s GLN 90 CO 0.75 0.02 0.12 0.42 -2.12 0.00 0.00 175.29 174.48 3c8i s ILE 91 N 0.32 -0.07 -0.16 1.08 1.01 -1.26 -0.87 121.20 121.25 3c8i s ILE 91 Ca -0.03 0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.84 3c8i s ILE 91 Cb -0.07 -0.20 0.01 0.00 0.01 0.00 0.00 42.46 42.20 3c8i s ILE 91 CO -0.00 0.09 -0.18 -0.55 0.00 0.00 0.00 174.94 174.29 3c8i s SER 92 N 1.29 3.36 0.26 3.58 0.15 -0.08 -4.77 113.70 117.49 3c8i s SER 92 Ca -0.07 -0.56 -0.30 0.00 0.70 0.00 0.00 55.95 55.72 3c8i s SER 92 Cb -0.12 -1.51 -0.09 0.00 -1.71 0.00 0.00 66.02 62.59 3c8i s SER 92 CO -0.05 0.06 1.10 -2.16 1.20 0.00 0.00 173.24 173.38 3c8i s PRO 93 N 0.97 4.64 -0.21 5.44 0.04 -1.26 -0.71 135.00 143.90 3c8i s PRO 93 Ca -0.03 1.78 0.01 0.00 0.04 0.00 0.00 61.00 62.80 3c8i s PRO 93 Cb -0.15 -3.21 0.03 0.00 0.04 0.00 0.00 34.50 31.21 3c8i s PRO 93 CO -0.04 0.19 -0.15 1.41 0.04 0.00 0.00 177.00 178.46 3c8i s MET 94 N -1.21 2.85 0.18 4.56 1.75 0.25 -4.92 119.30 122.76 3c8i s MET 94 Ca 0.45 -0.94 -0.33 0.00 -1.25 0.00 0.00 55.69 53.62 3c8i s MET 94 Cb -0.31 -2.73 -0.14 0.00 2.84 0.00 0.00 34.83 34.48 3c8i s MET 94 CO 0.39 -0.31 1.47 -2.30 -0.65 0.00 0.00 175.02 173.62 3c8i n PRO 95 N 4.60 1.94 -0.22 4.11 -0.02 -1.26 -1.15 135.00 143.00 3c8i n PRO 95 Ca -0.19 0.70 0.04 0.00 -2.02 0.00 0.00 63.50 62.03 3c8i n PRO 95 Cb 0.48 -2.40 0.29 0.00 -0.02 0.00 0.00 33.50 31.85 3c8i n PRO 95 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3c8i h ILE 96 N 3.33 1.09 -0.10 4.25 2.04 -1.56 -2.35 117.51 124.20 3c8i h ILE 96 Ca -0.45 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.12 3c8i h ILE 96 Cb 1.28 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 3c8i h ILE 96 CO 0.82 0.17 0.13 0.00 0.00 0.00 0.00 178.15 179.27 3c8i h ALA 97 N 1.56 1.62 -0.48 1.87 0.00 -1.79 0.90 119.26 122.94 3c8i h ALA 97 Ca 0.32 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.30 3c8i h ALA 97 Cb 0.12 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3c8i h ALA 97 CO -0.10 -0.19 0.32 -1.49 0.00 0.00 0.00 179.25 177.80 3c8i h TRP 98 N 0.00 0.36 0.03 0.00 4.06 -1.77 -3.03 115.95 115.60 3c8i h TRP 98 Ca 0.05 0.01 -0.10 0.00 2.06 0.00 0.00 58.89 60.90 3c8i h TRP 98 Cb 0.31 -0.12 -0.01 0.00 -1.00 0.00 0.00 29.16 28.35 3c8i h TRP 98 CO 0.00 0.19 -0.53 0.00 -3.56 0.00 0.00 178.44 174.54 3c8i h ALA 99 N 1.75 0.07 -2.21 1.49 0.00 -0.99 -3.48 119.26 115.89 3c8i h ALA 99 Ca 0.21 -0.75 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 3c8i h ALA 99 Cb 0.38 0.23 -0.22 0.00 0.00 0.00 0.00 17.79 18.18 3c8i h ALA 99 CO -0.05 0.29 -0.05 -0.08 0.00 0.00 0.00 179.25 179.36 3c8i s THR 100 N -2.30 -0.01 -1.94 0.00 -1.32 -0.92 -5.04 115.64 104.12 3c8i s THR 100 Ca -0.21 0.02 0.09 0.00 -1.21 0.00 0.00 61.69 60.38 3c8i s THR 100 Cb 0.00 -0.88 0.26 0.00 -1.51 0.00 0.00 72.50 70.37 3c8i s THR 100 CO 0.69 0.01 1.20 -0.81 -2.21 0.00 0.00 174.62 173.50 3c8i n PRO 101 N 3.82 1.71 -1.62 7.08 -0.04 -1.21 -3.73 135.00 140.99 3c8i n PRO 101 Ca -0.19 -1.04 -0.57 0.00 -0.04 0.00 0.00 63.50 61.67 3c8i n PRO 101 Cb 0.57 -1.25 -0.07 0.00 -0.04 0.00 0.00 33.50 32.71 3c8i n PRO 101 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3c8i n ASP 102 N 0.34 1.48 -0.00 3.54 2.03 -1.26 -4.79 116.55 117.88 3c8i n ASP 102 Ca 0.10 1.12 -0.00 0.00 0.52 0.00 0.00 54.79 56.53 3c8i n ASP 102 Cb 0.26 -1.09 0.30 0.00 -0.72 0.00 0.00 41.12 39.87 3c8i n ASP 102 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3c8i h SER 103 N 5.02 0.49 -0.60 1.67 4.64 -1.99 -1.35 113.55 121.43 3c8i h SER 103 Ca -0.48 -0.09 -0.04 0.00 -0.47 0.00 0.00 61.79 60.71 3c8i h SER 103 Cb 1.35 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 63.29 3c8i h SER 103 CO 0.82 0.56 0.21 0.28 -0.87 0.00 0.00 176.83 177.84 3c8i h SER 104 N 0.51 0.86 0.05 4.97 0.02 -1.98 -0.01 113.55 117.96 3c8i h SER 104 Ca 0.11 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 3c8i h SER 104 Cb 0.33 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3c8i h SER 104 CO 0.01 0.82 -0.02 0.58 -1.14 0.00 0.00 176.83 177.08 3c8i h VAL 105 N 0.85 1.09 -0.33 2.27 2.07 -1.75 -0.21 116.25 120.23 3c8i h VAL 105 Ca 0.20 -0.43 -0.14 0.00 0.82 0.00 0.00 66.70 67.15 3c8i h VAL 105 Cb 0.25 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3c8i h VAL 105 CO -0.01 0.11 -0.32 0.40 0.02 0.00 0.00 177.57 177.76 3c8i h ILE 106 N -0.25 1.29 -0.60 4.57 1.08 -1.20 -1.50 117.51 120.89 3c8i h ILE 106 Ca -0.01 -1.49 -0.09 0.00 -0.39 0.00 0.00 64.86 62.88 3c8i h ILE 106 Cb 0.23 1.49 -0.02 0.00 -3.07 0.00 0.00 36.82 35.44 3c8i h ILE 106 CO 0.01 0.49 0.01 0.00 -0.69 0.00 0.00 178.15 177.97 3c8i h ALA 107 N 0.74 0.87 -0.50 1.87 0.00 -1.00 -1.41 119.26 119.83 3c8i h ALA 107 Ca 0.05 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 3c8i h ALA 107 Cb 0.91 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3c8i h ALA 107 CO 0.08 0.66 -0.04 -0.09 0.00 0.00 0.00 179.25 179.86 3c8i h ARG 108 N 0.96 0.91 -0.36 0.00 2.43 -0.88 -1.99 114.38 115.46 3c8i h ARG 108 Ca 0.17 -0.31 -0.02 0.00 -0.81 0.00 0.00 59.98 59.01 3c8i h ARG 108 Cb 0.54 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 3c8i h ARG 108 CO 0.03 0.96 0.14 0.00 -1.51 0.00 0.00 179.97 179.59 3c8i h ALA 109 N 0.92 0.46 -0.71 2.80 0.00 -1.14 -0.19 119.26 121.40 3c8i h ALA 109 Ca 0.14 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3c8i h ALA 109 Cb 0.57 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 3c8i h ALA 109 CO 0.03 0.06 0.44 0.93 0.00 0.00 0.00 179.25 180.71 3c8i h GLU 110 N 0.43 0.81 0.00 0.00 5.08 -1.13 -2.73 114.58 117.04 3c8i h GLU 110 Ca 0.12 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 3c8i h GLU 110 Cb 0.18 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3c8i h GLU 110 CO -0.01 0.54 -0.17 0.66 -1.00 0.00 0.00 179.01 179.03 3c8i h SER 111 N 0.84 0.00 0.67 1.42 4.64 -0.98 -3.10 113.55 117.04 3c8i h SER 111 Ca 0.29 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.46 3c8i h SER 111 Cb 0.06 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 3c8i h SER 111 CO -0.13 0.17 -0.72 0.74 -0.87 0.00 0.00 176.83 176.02 3c8i h THR 112 N 0.00 1.50 -3.03 2.95 2.02 -0.75 -3.43 112.91 112.16 3c8i h THR 112 Ca -0.00 -2.42 -0.55 0.00 0.77 0.00 0.00 66.41 64.20 3c8i h THR 112 Cb 0.82 2.31 -0.02 0.00 -1.74 0.00 0.00 68.15 69.52 3c8i h THR 112 CO 0.02 0.70 0.76 -0.63 0.37 0.00 0.00 175.52 176.73 3c8i s ILE 113 N -3.40 4.20 0.32 3.11 1.01 -1.06 -4.97 121.20 120.40 3c8i s ILE 113 Ca -0.01 1.52 -0.27 0.00 0.00 0.00 0.00 60.65 61.88 3c8i s ILE 113 Cb 0.12 -3.98 -0.13 0.00 0.01 0.00 0.00 42.46 38.48 3c8i s ILE 113 CO 0.78 -0.03 1.03 -2.65 0.00 0.00 0.00 174.94 174.08 3c8i n PRO 114 N 5.51 1.44 0.25 2.79 -0.02 -1.26 -4.85 135.00 138.85 3c8i n PRO 114 Ca 0.12 0.51 0.08 0.00 -2.02 0.00 0.00 63.50 62.18 3c8i n PRO 114 Cb 0.46 -1.92 0.63 0.00 -0.02 0.00 0.00 33.50 32.64 3c8i n PRO 114 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3c8i h SER 115 N 1.97 0.00 -0.78 2.55 4.64 -1.93 -2.00 113.55 118.00 3c8i h SER 115 Ca -0.41 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.89 3c8i h SER 115 Cb 1.33 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.39 3c8i h SER 115 CO 0.60 0.09 0.41 -0.33 -0.87 0.00 0.00 176.83 176.73 3c8i h GLU 116 N 0.00 1.11 -0.41 4.77 3.07 -1.99 -0.15 114.58 120.98 3c8i h GLU 116 Ca -0.00 -0.13 -0.12 0.00 -0.50 0.00 0.00 59.36 58.60 3c8i h GLU 116 Cb 0.17 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 27.85 3c8i h GLU 116 CO 0.01 0.83 -0.23 1.96 -1.40 0.00 0.00 179.01 180.18 3c8i h GLN 117 N 1.11 0.88 -0.44 2.33 4.20 -1.72 -0.36 115.11 121.12 3c8i h GLN 117 Ca 0.28 -0.40 0.01 0.00 0.06 0.00 0.00 58.65 58.60 3c8i h GLN 117 Cb 0.05 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 3c8i h GLN 117 CO -0.04 1.05 0.28 -1.49 -0.67 0.00 0.00 178.83 177.95 3c8i h TRP 118 N 0.70 0.52 -0.35 2.96 4.06 -1.29 -0.71 115.95 121.85 3c8i h TRP 118 Ca 0.09 0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.05 3c8i h TRP 118 Cb 0.79 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 28.76 3c8i h TRP 118 CO 0.06 0.32 0.22 1.15 -3.56 0.00 0.00 178.44 176.63 3c8i h THR 119 N 0.56 1.11 -0.57 1.49 2.02 -0.92 -1.32 112.91 115.27 3c8i h THR 119 Ca 0.17 -0.23 0.01 0.00 0.77 0.00 0.00 66.41 67.13 3c8i h THR 119 Cb -0.03 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 3c8i h THR 119 CO -0.05 0.11 0.37 0.74 0.37 0.00 0.00 175.52 177.05 3c8i h THR 120 N 0.47 1.12 -0.05 3.16 2.02 -0.83 -1.55 112.91 117.25 3c8i h THR 120 Ca 0.13 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 3c8i h THR 120 Cb -0.02 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 66.70 3c8i h THR 120 CO -0.03 0.14 0.03 0.25 0.37 0.00 0.00 175.52 176.28 3c8i h LEU 121 N 0.74 0.06 -1.17 2.58 5.85 -0.90 -2.22 115.31 120.24 3c8i h LEU 121 Ca 0.22 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 3c8i h LEU 121 Cb -0.05 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 3c8i h LEU 121 CO -0.06 0.08 0.32 0.77 -0.34 0.00 0.00 178.44 179.21 3c8i h SER 122 N 0.03 0.80 0.66 1.25 4.64 -0.99 -1.30 113.55 118.64 3c8i h SER 122 Ca 0.02 -0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 61.21 3c8i h SER 122 Cb 0.03 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.91 3c8i h SER 122 CO -0.00 0.67 -0.24 0.11 -0.87 0.00 0.00 176.83 176.50 3c8i h LYS 123 N 0.90 0.00 -0.42 4.77 1.57 -1.12 -2.93 116.57 119.33 3c8i h LYS 123 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3c8i h LYS 123 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3c8i h LYS 123 CO -0.03 0.24 0.00 0.09 -0.57 0.00 0.00 179.45 179.18 3c8i n ASN 124 N -3.58 3.50 0.09 0.86 3.02 -0.71 -4.48 115.26 113.95 3c8i n ASN 124 Ca -0.01 -1.99 0.06 0.00 -0.03 0.00 0.00 54.58 52.62 3c8i n ASN 124 Cb 0.38 -0.27 0.51 0.00 -0.61 0.00 0.00 39.78 39.79 3c8i n ASN 124 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3c8i h LEU 125 N 4.36 0.28 0.00 3.41 5.85 -1.07 -0.06 115.31 128.09 3c8i h LEU 125 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3c8i h LEU 125 Cb 0.98 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.94 3c8i h LEU 125 CO 0.00 0.20 0.00 -0.46 -0.34 0.00 0.00 178.44 177.84 3c8i n ASN 126 N -4.50 0.00 -0.78 1.25 0.23 -1.26 -3.24 115.26 106.96 3c8i n ASN 126 Ca 0.01 -0.54 0.04 0.00 -0.53 0.00 0.00 54.58 53.56 3c8i n ASN 126 Cb 0.09 -0.04 0.15 0.00 -2.08 0.00 0.00 39.78 37.90 3c8i n ASN 126 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3c8i n LYS 127 N -1.04 2.08 -0.20 -3.83 5.02 -0.03 -4.57 118.16 115.59 3c8i n LYS 127 Ca 0.14 -1.18 0.01 0.00 -2.02 0.00 0.00 58.31 55.25 3c8i n LYS 127 Cb 0.08 -1.48 0.10 0.00 -0.02 0.00 0.00 35.03 33.71 3c8i n LYS 127 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3c8i h LEU 128 N 1.73 -0.19 -0.71 -0.35 5.85 -1.76 -1.87 115.31 118.01 3c8i h LEU 128 Ca 0.00 0.14 -0.10 0.00 0.84 0.00 0.00 57.88 58.76 3c8i h LEU 128 Cb 0.70 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 3c8i h LEU 128 CO 0.08 -0.08 -0.11 0.44 -0.34 0.00 0.00 178.44 178.44 3c8i h ASP 129 N 0.15 0.87 -0.81 1.25 3.32 -1.92 -1.55 116.42 117.74 3c8i h ASP 129 Ca 0.31 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3c8i h ASP 129 Cb 0.49 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 3c8i h ASP 129 CO -0.48 1.00 0.51 1.56 -1.72 0.00 0.00 179.24 180.11 3c8i h GLN 130 N 0.79 1.08 -0.50 3.56 4.20 -1.77 -2.39 115.11 120.08 3c8i h GLN 130 Ca 0.13 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 3c8i h GLN 130 Cb 0.62 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 3c8i h GLN 130 CO 0.04 0.73 0.18 0.28 -0.67 0.00 0.00 178.83 179.39 3c8i h VAL 131 N 1.10 1.22 0.00 -0.54 2.07 -0.81 -2.65 116.25 116.64 3c8i h VAL 131 Ca 0.29 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 67.10 3c8i h VAL 131 Cb -0.09 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3c8i h VAL 131 CO -0.06 0.27 0.00 0.54 0.02 0.00 0.00 177.57 178.34 3c8i n ARG 132 N -4.53 0.10 0.00 1.57 1.74 -0.63 -1.72 116.66 113.19 3c8i n ARG 132 Ca 0.02 0.33 0.13 0.00 -0.77 0.00 0.00 57.85 57.56 3c8i n ARG 132 Cb 0.18 -1.69 0.50 0.00 -1.02 0.00 0.00 32.46 30.42 3c8i n ARG 132 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3c8i n GLU 133 N -1.89 0.14 -2.16 5.56 1.02 -0.92 -4.88 120.64 117.51 3c8i n GLU 133 Ca 0.03 -0.04 -0.26 0.00 -0.02 0.00 0.00 57.16 56.86 3c8i n GLU 133 Cb 0.21 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.21 3c8i n GLU 133 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3c8i s THR 134 N -2.89 2.22 0.24 2.62 -4.23 -0.70 -4.99 115.64 107.91 3c8i s THR 134 Ca 0.16 -0.23 -0.01 0.00 -1.18 0.00 0.00 61.69 60.43 3c8i s THR 134 Cb 0.19 -2.99 0.04 0.00 1.34 0.00 0.00 72.50 71.08 3c8i s THR 134 CO 0.57 0.00 1.66 0.50 -0.54 0.00 0.00 174.62 176.81 3c8i h LYS 135 N -0.70 0.58 0.00 3.99 3.64 -1.87 -3.32 116.57 118.89 3c8i h LYS 135 Ca -0.44 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 58.68 3c8i h LYS 135 Cb 1.31 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.08 3c8i h LYS 135 CO 0.59 0.81 -0.34 1.19 -2.27 0.00 0.00 179.45 179.43 3c8i n PHE 136 N -4.09 0.00 -3.84 1.91 3.72 -1.26 -4.99 117.46 108.92 3c8i n PHE 136 Ca -0.01 -1.11 -0.25 0.00 -0.05 0.00 0.00 57.45 56.03 3c8i n PHE 136 Cb 0.45 -0.19 0.02 0.00 -0.94 0.00 0.00 39.48 38.82 3c8i n PHE 136 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3c8i n ASP 137 N -1.04 -2.16 -3.68 4.37 8.00 -1.25 -4.78 116.55 116.03 3c8i n ASP 137 Ca 0.15 -0.85 -0.13 0.00 0.71 0.00 0.00 54.79 54.68 3c8i n ASP 137 Cb 0.71 -3.76 -0.13 0.00 -0.02 0.00 0.00 41.12 37.93 3c8i n ASP 137 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3c8i s LEU 138 N -6.94 -0.21 -0.20 0.64 2.96 -1.26 -2.06 118.68 111.63 3c8i s LEU 138 Ca 0.23 0.64 -0.01 0.00 -0.22 0.00 0.00 54.13 54.77 3c8i s LEU 138 Cb -0.12 0.81 0.05 0.00 0.50 0.00 0.00 46.19 47.44 3c8i s LEU 138 CO 0.84 -0.22 -0.02 -0.22 -1.32 0.00 0.00 176.35 175.40 3c8i s LEU 139 N 2.19 1.79 0.29 -0.68 2.96 0.06 -4.79 118.68 120.50 3c8i s LEU 139 Ca -0.01 -0.89 -0.29 0.00 -0.22 0.00 0.00 54.13 52.71 3c8i s LEU 139 Cb -0.12 -0.89 -0.10 0.00 0.50 0.00 0.00 46.19 45.58 3c8i s LEU 139 CO -0.09 -0.24 1.23 -1.61 -1.32 0.00 0.00 176.35 174.32 3c8i s GLU 140 N 1.63 4.46 0.00 1.98 2.02 -1.26 -0.86 118.70 126.67 3c8i s GLU 140 Ca -0.02 2.04 0.30 0.00 0.02 0.00 0.00 54.97 57.30 3c8i s GLU 140 Cb -0.17 -3.14 1.39 0.00 0.10 0.00 0.00 34.13 32.32 3c8i s GLU 140 CO -0.07 -0.06 1.94 1.28 0.02 0.00 0.00 175.26 178.37