#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3in1 s LEU 4 N 0.00 4.09 -0.25 -4.53 2.96 -1.26 -4.51 118.68 115.18 3in1 s LEU 4 Ca 0.00 0.72 0.01 0.00 -0.22 0.00 0.00 54.13 54.63 3in1 s LEU 4 Cb 0.00 -2.83 -0.18 0.00 0.50 0.00 0.00 46.19 43.68 3in1 s LEU 4 CO 0.00 -0.32 -0.17 0.47 -1.32 0.00 0.00 176.35 175.01 3in1 n ASP 5 N 5.46 2.00 -4.11 3.68 8.00 -0.60 -3.88 116.55 127.10 3in1 n ASP 5 Ca -0.01 -0.10 -0.23 0.00 0.71 0.00 0.00 54.79 55.16 3in1 n ASP 5 Cb 0.49 -0.46 -0.15 0.00 -0.02 0.00 0.00 41.12 40.98 3in1 n ASP 5 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3in1 s VAL 6 N -2.52 1.14 -0.19 2.53 1.01 -0.94 -1.04 120.40 120.38 3in1 s VAL 6 Ca -0.34 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.04 3in1 s VAL 6 Cb 0.09 -0.96 0.01 0.00 0.00 0.00 0.00 36.38 35.52 3in1 s VAL 6 CO 0.62 0.32 -0.15 -0.63 0.00 0.00 0.00 175.10 175.26 3in1 s ILE 7 N -0.25 2.47 -0.15 2.22 1.01 -0.65 -0.13 121.20 125.72 3in1 s ILE 7 Ca 0.04 -0.81 -0.02 0.00 0.00 0.00 0.00 60.65 59.86 3in1 s ILE 7 Cb -0.06 -2.06 -0.02 0.00 0.01 0.00 0.00 42.46 40.32 3in1 s ILE 7 CO -0.00 0.51 -0.08 0.00 0.00 0.00 0.00 174.94 175.37 3in1 s ILE 9 N 0.40 3.29 0.00 0.00 1.01 0.04 -4.39 121.20 121.54 3in1 s ILE 9 Ca -0.07 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.01 3in1 s ILE 9 Cb -0.15 -2.40 0.00 0.00 0.01 0.00 0.00 42.46 39.92 3in1 s ILE 9 CO 0.04 0.51 0.00 0.61 0.00 0.00 0.00 174.94 176.10 3in1 n GLY 10 N 3.56 -0.13 3.69 6.18 0.00 -1.26 -0.76 105.19 116.47 3in1 n GLY 10 Ca -0.18 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.34 3in1 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3in1 s ALA 11 N -2.00 3.41 -0.14 4.61 0.00 -1.26 -4.42 121.76 121.96 3in1 s ALA 11 Ca 0.00 0.12 -0.16 0.00 0.00 0.00 0.00 51.96 51.92 3in1 s ALA 11 Cb 0.00 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 3in1 s ALA 11 CO 0.00 -0.40 0.39 0.00 0.00 0.00 0.00 175.76 175.74 3in1 s ALA 12 N 1.53 3.53 0.35 0.00 0.00 -1.26 -4.43 121.76 121.47 3in1 s ALA 12 Ca 0.39 -0.32 0.04 0.00 0.00 0.00 0.00 51.96 52.08 3in1 s ALA 12 Cb -0.17 -2.53 -0.03 0.00 0.00 0.00 0.00 23.12 20.38 3in1 s ALA 12 CO 0.16 0.03 0.18 0.96 0.00 0.00 0.00 175.76 177.09 3in1 s ILE 13 N 0.59 0.32 -0.05 0.00 -5.25 -1.06 -4.72 121.20 111.02 3in1 s ILE 13 Ca 0.21 -2.00 0.05 0.00 -0.99 0.00 0.00 60.65 57.93 3in1 s ILE 13 Cb -0.14 -2.45 -0.01 0.00 2.95 0.00 0.00 42.46 42.81 3in1 s ILE 13 CO 0.07 0.00 -0.22 -0.69 -1.79 0.00 0.00 174.94 172.31 3in1 s VAL 14 N -3.44 1.80 0.09 8.37 1.01 -0.93 -0.95 120.40 126.36 3in1 s VAL 14 Ca 0.33 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.43 3in1 s VAL 14 Cb 0.03 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 3in1 s VAL 14 CO 0.19 0.51 0.01 -1.81 0.00 0.00 0.00 175.10 174.00 3in1 s ASP 15 N -0.09 5.07 -0.35 3.32 1.01 0.54 -0.53 116.67 125.64 3in1 s ASP 15 Ca -0.04 -0.17 -0.00 0.00 0.71 0.00 0.00 52.55 53.05 3in1 s ASP 15 Cb -0.13 -1.22 0.12 0.00 1.01 0.00 0.00 42.92 42.70 3in1 s ASP 15 CO 0.03 0.17 0.17 -0.63 0.21 0.00 0.00 175.17 175.12 3in1 s ILE 16 N -1.35 0.63 0.06 0.77 1.01 -0.07 -1.38 121.20 120.87 3in1 s ILE 16 Ca 0.26 -1.68 -0.30 0.00 0.00 0.00 0.00 60.65 58.93 3in1 s ILE 16 Cb -0.12 -1.46 -0.05 0.00 0.01 0.00 0.00 42.46 40.84 3in1 s ILE 16 CO 0.19 -0.84 1.08 -2.16 0.00 0.00 0.00 174.94 173.21 3in1 s PRO 17 N 1.21 4.53 -0.33 2.79 0.04 -1.26 -1.84 135.00 140.14 3in1 s PRO 17 Ca 0.14 1.61 0.04 0.00 0.04 0.00 0.00 61.00 62.83 3in1 s PRO 17 Cb -0.21 -3.38 0.10 0.00 0.04 0.00 0.00 34.50 31.05 3in1 s PRO 17 CO -0.13 -0.09 0.03 -0.51 0.04 0.00 0.00 177.00 176.35 3in1 s LEU 18 N 0.73 4.62 -0.07 -3.56 1.43 0.92 -4.77 118.68 117.96 3in1 s LEU 18 Ca 0.54 -2.06 -0.06 0.00 -1.03 0.00 0.00 54.13 51.52 3in1 s LEU 18 Cb -0.26 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.36 3in1 s LEU 18 CO 0.30 -0.36 0.18 -1.58 0.23 0.00 0.00 176.35 175.12 3in1 s GLN 19 N 0.93 0.20 -0.03 1.70 0.74 -1.26 -1.41 119.66 120.53 3in1 s GLN 19 Ca 0.08 0.28 -0.00 0.00 0.05 0.00 0.00 55.36 55.78 3in1 s GLN 19 Cb -0.19 0.06 -0.04 0.00 1.10 0.00 0.00 33.01 33.95 3in1 s GLN 19 CO -0.08 -0.05 0.03 -1.25 -0.55 0.00 0.00 175.29 173.39 3in1 s PRO 20 N 0.27 2.94 0.24 1.67 0.04 -1.26 -4.81 135.00 134.09 3in1 s PRO 20 Ca -0.01 -0.50 0.11 0.00 0.04 0.00 0.00 61.00 60.64 3in1 s PRO 20 Cb -0.03 -2.78 -0.05 0.00 0.04 0.00 0.00 34.50 31.69 3in1 s PRO 20 CO -0.01 0.66 -0.14 0.14 0.04 0.00 0.00 177.00 177.69 3in1 s VAL 21 N -1.05 2.84 0.46 -0.36 -7.23 0.14 -4.76 120.40 110.45 3in1 s VAL 21 Ca 0.18 -2.06 -0.23 0.00 -1.81 0.00 0.00 61.98 58.06 3in1 s VAL 21 Cb -0.12 -2.46 -0.07 0.00 0.56 0.00 0.00 36.38 34.29 3in1 s VAL 21 CO 0.08 -0.28 1.18 -0.55 -0.31 0.00 0.00 175.10 175.22 3in1 s SER 22 N -3.25 6.12 0.47 4.85 0.15 -1.26 -3.67 113.70 117.11 3in1 s SER 22 Ca 0.28 2.33 0.21 0.00 0.70 0.00 0.00 55.95 59.47 3in1 s SER 22 Cb -0.07 -2.60 1.19 0.00 -1.71 0.00 0.00 66.02 62.83 3in1 s SER 22 CO 0.15 -0.95 2.00 0.50 1.20 0.00 0.00 173.24 176.14 3in1 h LYS 23 N 2.02 0.00 -2.56 5.44 3.64 -1.99 -2.84 116.57 120.28 3in1 h LYS 23 Ca -0.49 0.00 -0.73 0.00 -1.27 0.00 0.00 60.65 58.16 3in1 h LYS 23 Cb 1.25 0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 32.74 3in1 h LYS 23 CO 0.60 0.18 0.28 0.09 -2.27 0.00 0.00 179.45 178.33 3in1 n ASN 24 N -3.91 5.59 -0.33 4.20 3.02 -1.26 -4.92 115.26 117.65 3in1 n ASN 24 Ca -0.02 -3.48 0.26 0.00 -0.03 0.00 0.00 54.58 51.30 3in1 n ASN 24 Cb 0.27 -1.02 0.50 0.00 -0.61 0.00 0.00 39.78 38.92 3in1 n ASN 24 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3in1 h ILE 25 N 3.16 0.24 -0.08 2.41 6.09 -1.89 0.46 117.51 127.89 3in1 h ILE 25 Ca 0.24 -0.09 0.00 0.00 -1.37 0.00 0.00 64.86 63.64 3in1 h ILE 25 Cb 0.58 -0.04 0.00 0.00 0.47 0.00 0.00 36.82 37.83 3in1 h ILE 25 CO 1.12 0.05 0.00 0.49 -3.07 0.00 0.00 178.15 176.74 3in1 n PHE 26 N -5.09 0.10 -0.06 2.19 3.01 -1.26 -3.79 117.46 112.56 3in1 n PHE 26 Ca 0.33 -0.05 0.01 0.00 1.01 0.00 0.00 57.45 58.75 3in1 n PHE 26 Cb 1.05 0.00 0.32 0.00 -0.01 0.00 0.00 39.48 40.84 3in1 n PHE 26 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 3in1 h ASP 27 N 0.82 0.60 -1.05 4.37 3.32 -1.31 -3.43 116.42 119.74 3in1 h ASP 27 Ca 0.00 -0.05 -0.63 0.00 0.02 0.00 0.00 57.03 56.37 3in1 h ASP 27 Cb 0.18 -0.15 -0.12 0.00 0.22 0.00 0.00 39.33 39.46 3in1 h ASP 27 CO 0.00 0.51 -0.52 0.68 -1.72 0.00 0.00 179.24 178.19 3in1 s VAL 28 N -5.41 1.69 -0.03 -1.35 -7.23 -1.25 -5.07 120.40 101.76 3in1 s VAL 28 Ca -0.09 -1.90 0.07 0.00 -1.81 0.00 0.00 61.98 58.25 3in1 s VAL 28 Cb 0.17 -2.60 -0.24 0.00 0.56 0.00 0.00 36.38 34.27 3in1 s VAL 28 CO 0.76 0.00 0.72 -0.78 -0.31 0.00 0.00 175.10 175.49 3in1 h ASP 29 N 1.46 0.11 -5.02 4.85 3.58 -1.88 -3.49 116.42 116.04 3in1 h ASP 29 Ca -0.43 -0.21 -0.11 0.00 0.42 0.00 0.00 57.03 56.70 3in1 h ASP 29 Cb 1.28 -0.04 -0.19 0.00 1.72 0.00 0.00 39.33 42.10 3in1 h ASP 29 CO 0.74 1.18 -0.28 -0.44 -2.88 0.00 0.00 179.24 177.57 3in1 s SER 30 N -6.42 -0.14 -0.35 2.28 0.01 -1.26 -5.12 113.70 102.69 3in1 s SER 30 Ca -0.07 -0.07 0.03 0.00 1.31 0.00 0.00 55.95 57.15 3in1 s SER 30 Cb 0.08 0.32 0.10 0.00 0.21 0.00 0.00 66.02 66.74 3in1 s SER 30 CO 0.82 -0.52 0.09 -0.31 0.41 0.00 0.00 173.24 173.73 3in1 s TYR 31 N -1.90 3.16 -0.85 2.43 1.51 -1.26 -5.05 117.35 115.39 3in1 s TYR 31 Ca -0.10 -2.71 -0.25 0.00 -1.01 0.00 0.00 57.07 53.00 3in1 s TYR 31 Cb -0.03 -2.60 0.04 0.00 -0.11 0.00 0.00 41.96 39.26 3in1 s TYR 31 CO 0.01 -0.91 1.33 -1.25 -1.11 0.00 0.00 175.55 173.62 3in1 s PRO 32 N 0.93 3.35 0.69 -1.71 0.04 -1.26 -4.98 135.00 132.06 3in1 s PRO 32 Ca 0.12 -0.64 -0.11 0.00 0.04 0.00 0.00 61.00 60.40 3in1 s PRO 32 Cb -0.19 -4.66 0.01 0.00 0.04 0.00 0.00 34.50 29.69 3in1 s PRO 32 CO -0.11 -2.15 1.09 -0.51 0.04 0.00 0.00 177.00 175.36 3in1 s LEU 33 N 5.32 2.95 0.36 -3.56 1.02 -1.26 -4.97 118.68 118.53 3in1 s LEU 33 Ca 0.39 1.17 0.06 0.00 0.02 0.00 0.00 54.13 55.77 3in1 s LEU 33 Cb -0.05 -4.00 0.69 0.00 0.02 0.00 0.00 46.19 42.84 3in1 s LEU 33 CO 0.04 -1.28 1.90 -0.08 0.02 0.00 0.00 176.35 176.96 3in1 h GLU 34 N -0.61 0.43 -1.51 1.70 4.81 -1.94 -3.45 114.58 114.02 3in1 h GLU 34 Ca -0.45 -0.09 0.09 0.00 -0.13 0.00 0.00 59.36 58.78 3in1 h GLU 34 Cb 1.24 -0.06 -0.26 0.00 0.63 0.00 0.00 28.75 30.30 3in1 h GLU 34 CO 0.64 0.48 0.55 0.50 -0.73 0.00 0.00 179.01 180.45 3in1 s ARG 35 N -4.93 0.48 -0.14 1.92 3.52 -1.26 -5.13 118.95 113.41 3in1 s ARG 35 Ca -0.07 0.34 -0.01 0.00 -0.13 0.00 0.00 55.73 55.86 3in1 s ARG 35 Cb 0.16 0.23 0.04 0.00 -1.56 0.00 0.00 34.95 33.81 3in1 s ARG 35 CO 0.75 -0.10 -0.05 0.42 -0.81 0.00 0.00 175.30 175.51 3in1 s ILE 36 N -0.39 0.93 0.00 4.11 1.01 -1.26 -4.92 121.20 120.68 3in1 s ILE 36 Ca 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.26 3in1 s ILE 36 Cb -0.03 -1.08 0.00 0.00 0.01 0.00 0.00 42.46 41.36 3in1 s ILE 36 CO -0.04 0.20 0.00 0.00 0.00 0.00 0.00 174.94 175.10 3in1 n ALA 37 N 4.95 0.00 0.00 9.38 0.00 -1.26 -5.15 120.51 128.43 3in1 n ALA 37 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3in1 n ALA 37 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 3in1 n ALA 37 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3in1 n THR 39 N 0.00 0.00 -2.72 0.00 -2.24 -0.48 -4.41 114.28 104.43 3in1 n THR 39 Ca 0.00 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 3in1 n THR 39 Cb 0.00 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 3in1 n THR 39 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3in1 s THR 40 N -1.54 4.28 0.16 4.28 -4.23 -1.26 -0.34 115.64 116.99 3in1 s THR 40 Ca 0.00 2.05 0.03 0.00 -1.18 0.00 0.00 61.69 62.59 3in1 s THR 40 Cb 0.00 -4.31 -0.01 0.00 1.34 0.00 0.00 72.50 69.52 3in1 s THR 40 CO 0.00 0.39 0.12 0.61 -0.54 0.00 0.00 174.62 175.19 3in1 n GLY 41 N 1.92 3.56 0.00 3.99 0.00 -0.12 -4.82 105.19 109.72 3in1 n GLY 41 Ca 0.01 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.21 3in1 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3in1 n GLY 42 N -0.06 2.18 0.18 -0.02 0.00 -1.26 -2.56 105.19 103.65 3in1 n GLY 42 Ca 0.02 -1.67 -0.08 0.00 0.00 0.00 0.00 46.02 44.30 3in1 n GLY 42 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3in1 h ASP 43 N 0.00 0.47 -0.21 1.61 3.32 -1.86 -1.47 116.42 118.27 3in1 h ASP 43 Ca 0.00 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.06 3in1 h ASP 43 Cb 0.00 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 3in1 h ASP 43 CO 0.00 0.34 0.08 0.00 -1.72 0.00 0.00 179.24 177.94 3in1 h ALA 44 N 1.15 0.23 -0.14 3.45 0.00 -1.77 -0.19 119.26 122.00 3in1 h ALA 44 Ca 0.15 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3in1 h ALA 44 Cb -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3in1 h ALA 44 CO -0.04 -0.34 0.06 0.82 0.00 0.00 0.00 179.25 179.76 3in1 h ILE 45 N 0.18 1.13 -0.29 0.00 1.08 -1.75 -1.15 117.51 116.71 3in1 h ILE 45 Ca 0.09 -0.38 0.04 0.00 -0.39 0.00 0.00 64.86 64.22 3in1 h ILE 45 Cb 0.04 1.13 -0.04 0.00 -3.07 0.00 0.00 36.82 34.88 3in1 h ILE 45 CO -0.08 0.12 0.05 0.78 -0.69 0.00 0.00 178.15 178.33 3in1 h ASN 46 N 0.09 -0.00 0.05 1.72 2.35 -1.07 -0.32 115.58 118.40 3in1 h ASN 46 Ca 0.05 0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3in1 h ASN 46 Cb 0.13 0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.57 3in1 h ASN 46 CO -0.01 0.03 -0.02 -0.33 -1.65 0.00 0.00 177.43 175.45 3in1 h GLU 47 N 0.15 -0.07 -0.91 0.81 5.08 -0.90 -0.09 114.58 118.66 3in1 h GLU 47 Ca 0.14 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.56 3in1 h GLU 47 Cb 0.15 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.36 3in1 h GLU 47 CO -0.19 0.10 0.59 0.00 -1.00 0.00 0.00 179.01 178.51 3in1 h ALA 48 N 0.72 1.49 -0.09 3.43 0.00 -1.10 0.17 119.26 123.89 3in1 h ALA 48 Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3in1 h ALA 48 Cb 0.19 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3in1 h ALA 48 CO 0.01 0.38 0.01 1.15 0.00 0.00 0.00 179.25 180.80 3in1 h THR 49 N 1.05 1.22 -0.25 0.00 2.02 -0.76 -1.73 112.91 114.46 3in1 h THR 49 Ca 0.39 -0.68 -0.14 0.00 0.77 0.00 0.00 66.41 66.75 3in1 h THR 49 Cb 0.16 1.51 -0.00 0.00 -1.74 0.00 0.00 68.15 68.08 3in1 h THR 49 CO -0.14 0.19 -0.40 0.40 0.37 0.00 0.00 175.52 175.94 3in1 h ILE 50 N -0.10 1.30 -0.89 3.11 1.08 -0.58 -2.26 117.51 119.17 3in1 h ILE 50 Ca 0.03 -1.60 0.04 0.00 -0.39 0.00 0.00 64.86 62.94 3in1 h ILE 50 Cb 0.29 1.70 -0.05 0.00 -3.07 0.00 0.00 36.82 35.69 3in1 h ILE 50 CO 0.00 0.51 0.57 0.40 -0.69 0.00 0.00 178.15 178.94 3in1 h ILE 51 N 0.45 1.13 -0.37 -0.67 2.04 -0.70 -0.73 117.51 118.66 3in1 h ILE 51 Ca 0.02 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 3in1 h ILE 51 Cb 0.99 -0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 3in1 h ILE 51 CO 0.09 0.20 0.15 0.28 0.00 0.00 0.00 178.15 178.87 3in1 h SER 52 N 1.10 0.50 0.29 1.72 0.02 -1.23 -1.99 113.55 113.97 3in1 h SER 52 Ca 0.36 -0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 61.11 3in1 h SER 52 Cb 0.04 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 3in1 h SER 52 CO -0.13 0.52 -0.21 0.03 -1.14 0.00 0.00 176.83 175.90 3in1 h ARG 53 N 0.45 0.00 0.00 3.45 3.08 -0.87 -1.77 114.38 118.71 3in1 h ARG 53 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3in1 h ARG 53 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3in1 h ARG 53 CO -0.01 0.21 0.00 1.28 -1.07 0.00 0.00 179.97 180.38 3in1 n LEU 54 N -4.06 0.00 0.00 3.04 4.77 -0.33 -4.26 117.00 116.16 3in1 n LEU 54 Ca -0.02 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 3in1 n LEU 54 Cb 0.29 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 3in1 n LEU 54 CO 0.35 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 3in1 n GLY 55 N 0.80 0.99 3.25 -0.72 0.00 -0.67 -4.99 105.19 103.86 3in1 n GLY 55 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 3in1 n GLY 55 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3in1 s HIS 56 N -2.00 2.94 0.10 1.61 3.76 -0.79 -5.02 115.29 115.89 3in1 s HIS 56 Ca 0.00 -1.19 -0.32 0.00 -0.15 0.00 0.00 55.06 53.40 3in1 s HIS 56 Cb 0.00 -2.06 -0.12 0.00 1.11 0.00 0.00 32.58 31.51 3in1 s HIS 56 CO 0.00 -0.63 1.79 -2.13 -0.85 0.00 0.00 174.74 172.92 3in1 n ARG 57 N 4.74 2.57 -4.30 1.40 0.63 -1.26 -3.34 116.66 117.10 3in1 n ARG 57 Ca -0.18 0.93 -0.19 0.00 -0.92 0.00 0.00 57.85 57.49 3in1 n ARG 57 Cb 0.50 -2.79 -0.11 0.00 0.45 0.00 0.00 32.46 30.51 3in1 n ARG 57 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3in1 s THR 58 N 2.53 1.59 -0.03 5.15 2.01 -1.26 -1.56 115.64 124.07 3in1 s THR 58 Ca 0.83 -1.95 0.04 0.00 0.31 0.00 0.00 61.69 60.92 3in1 s THR 58 Cb -0.56 -1.80 -0.00 0.00 0.01 0.00 0.00 72.50 70.15 3in1 s THR 58 CO 0.40 -0.46 -0.15 0.00 -0.69 0.00 0.00 174.62 173.71 3in1 s ALA 59 N -2.44 1.36 0.00 7.40 0.00 0.82 -0.26 121.76 128.64 3in1 s ALA 59 Ca 0.16 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.49 3in1 s ALA 59 Cb -0.03 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.65 3in1 s ALA 59 CO 0.05 0.26 0.00 -0.11 0.00 0.00 0.00 175.76 175.96 3in1 n LEU 60 N 3.06 0.00 0.00 0.00 7.94 -0.83 -0.77 117.00 126.40 3in1 n LEU 60 Ca -0.17 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.73 3in1 n LEU 60 Cb 0.54 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.49 3in1 n LEU 60 CO 0.25 -0.24 0.00 -0.24 -1.11 0.00 0.00 177.39 176.05 3in1 n SER 62 N -1.70 0.00 -3.69 1.96 2.88 -1.12 -3.68 113.62 108.26 3in1 n SER 62 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 3in1 n SER 62 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 3in1 n SER 62 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 3in1 s ARG 63 N -0.91 0.18 0.51 -1.46 3.52 -1.26 -2.62 118.95 116.92 3in1 s ARG 63 Ca 0.00 0.67 0.01 0.00 -0.13 0.00 0.00 55.73 56.28 3in1 s ARG 63 Cb 0.00 -0.06 -0.01 0.00 -1.56 0.00 0.00 34.95 33.32 3in1 s ARG 63 CO 0.00 -0.23 0.01 0.96 -0.81 0.00 0.00 175.30 175.23 3in1 s ILE 64 N 1.93 1.06 0.65 4.11 -4.36 -0.37 -4.81 121.20 119.41 3in1 s ILE 64 Ca -0.03 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 58.32 3in1 s ILE 64 Cb -0.11 -2.14 0.05 0.00 1.25 0.00 0.00 42.46 41.51 3in1 s ILE 64 CO -0.09 0.00 0.92 -0.83 0.24 0.00 0.00 174.94 175.18 3in1 s GLY 65 N -3.86 1.75 -1.27 6.27 0.00 -1.26 -0.46 107.32 108.48 3in1 s GLY 65 Ca 0.06 -1.12 -0.06 0.00 0.00 0.00 0.00 44.72 43.59 3in1 s GLY 65 CO 0.03 -0.76 2.11 1.17 0.00 0.00 0.00 173.10 175.65 3in1 n LYS 66 N -2.69 4.28 -3.04 2.90 0.00 -1.11 -4.41 118.16 114.09 3in1 n LYS 66 Ca 0.08 -3.63 -0.09 0.00 0.00 0.00 0.00 58.31 54.67 3in1 n LYS 66 Cb 0.60 -2.72 -0.04 0.00 0.00 0.00 0.00 35.03 32.87 3in1 n LYS 66 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 3in1 n ASP 67 N 2.37 -0.16 -0.20 3.14 5.68 -1.26 -4.95 116.55 121.16 3in1 n ASP 67 Ca 0.51 -2.01 -0.01 0.00 -0.50 0.00 0.00 54.79 52.77 3in1 n ASP 67 Cb 0.29 0.74 0.20 0.00 -1.14 0.00 0.00 41.12 41.22 3in1 n ASP 67 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3in1 h ALA 68 N 1.47 1.33 -0.28 2.12 0.00 -1.99 -0.19 119.26 121.72 3in1 h ALA 68 Ca -0.11 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 3in1 h ALA 68 Cb 0.56 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3in1 h ALA 68 CO 0.17 0.54 -0.40 0.00 0.00 0.00 0.00 179.25 179.56 3in1 h ALA 69 N 1.43 0.43 -0.82 0.00 0.00 -1.94 -1.80 119.26 116.56 3in1 h ALA 69 Ca 0.25 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3in1 h ALA 69 Cb 0.05 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3in1 h ALA 69 CO -0.04 0.53 0.46 0.78 0.00 0.00 0.00 179.25 180.99 3in1 h GLY 70 N 0.52 1.22 1.00 0.00 0.00 -1.67 -1.72 103.07 102.42 3in1 h GLY 70 Ca 0.03 -0.54 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 3in1 h GLY 70 CO 0.09 0.52 0.30 -1.61 0.00 0.00 0.00 176.54 175.84 3in1 h GLN 71 N 1.14 0.93 -0.87 4.80 5.75 -0.95 -1.89 115.11 124.02 3in1 h GLN 71 Ca 0.29 -0.14 0.01 0.00 -0.15 0.00 0.00 58.65 58.65 3in1 h GLN 71 Cb 0.01 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 28.35 3in1 h GLN 71 CO -0.05 0.75 0.57 0.35 -2.65 0.00 0.00 178.83 177.80 3in1 h PHE 72 N 0.89 1.10 -0.02 3.99 3.57 -0.76 -1.23 116.94 124.48 3in1 h PHE 72 Ca 0.22 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 3in1 h PHE 72 Cb 0.13 -0.37 -0.00 0.00 2.79 0.00 0.00 35.95 38.50 3in1 h PHE 72 CO 0.00 0.70 0.01 0.82 -2.23 0.00 0.00 178.31 177.61 3in1 h ILE 73 N 1.18 1.18 -1.01 1.41 2.04 -0.78 -1.06 117.51 120.47 3in1 h ILE 73 Ca 0.32 -0.52 0.03 0.00 1.00 0.00 0.00 64.86 65.68 3in1 h ILE 73 Cb -0.12 1.50 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 3in1 h ILE 73 CO -0.07 0.14 0.66 -0.07 0.00 0.00 0.00 178.15 178.82 3in1 h LEU 74 N -0.18 1.12 -0.67 1.44 3.38 -1.09 -0.09 115.31 119.22 3in1 h LEU 74 Ca 0.01 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 3in1 h LEU 74 Cb 0.22 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3in1 h LEU 74 CO -0.00 0.78 -0.29 0.44 0.09 0.00 0.00 178.44 179.46 3in1 h ASP 75 N 1.31 0.74 -0.33 -0.43 3.32 -1.11 -0.52 116.42 119.40 3in1 h ASP 75 Ca 0.39 -0.29 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 3in1 h ASP 75 Cb -0.05 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 3in1 h ASP 75 CO -0.11 0.98 0.12 -0.74 -1.72 0.00 0.00 179.24 177.78 3in1 h HIS 76 N 0.62 0.51 -0.84 4.55 -0.00 -0.34 -1.49 115.15 118.16 3in1 h HIS 76 Ca 0.08 -0.04 -0.03 0.00 -0.00 0.00 0.00 60.37 60.38 3in1 h HIS 76 Cb 0.80 -0.15 -0.04 0.00 -0.00 0.00 0.00 27.41 28.02 3in1 h HIS 76 CO 0.04 0.49 0.43 0.00 -0.00 0.00 0.00 177.93 178.88 3in1 h ARG 78 N 1.19 0.82 0.00 0.00 3.08 -0.80 0.98 114.38 119.64 3in1 h ARG 78 Ca 0.29 -0.22 -0.12 0.00 0.07 0.00 0.00 59.98 60.00 3in1 h ARG 78 Cb 0.08 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3in1 h ARG 78 CO -0.04 0.82 -0.56 -0.22 -1.07 0.00 0.00 179.97 178.90 3in1 h LYS 79 N 0.76 0.00 -0.01 0.04 3.64 -0.81 -2.88 116.57 117.31 3in1 h LYS 79 Ca 0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3in1 h LYS 79 Cb 0.45 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3in1 h LYS 79 CO 0.02 0.56 -0.15 0.39 -2.27 0.00 0.00 179.45 178.00 3in1 n GLU 80 N -3.72 1.22 -2.42 1.90 -0.58 -0.40 -4.94 120.64 111.69 3in1 n GLU 80 Ca -0.01 -0.72 -0.14 0.00 -0.42 0.00 0.00 57.16 55.87 3in1 n GLU 80 Cb 0.59 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.98 3in1 n GLU 80 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3in1 n ASN 81 N -0.26 -4.39 -4.74 1.62 3.02 -0.02 -4.82 115.26 105.67 3in1 n ASN 81 Ca 0.15 -0.07 -0.40 0.00 -0.03 0.00 0.00 54.58 54.23 3in1 n ASN 81 Cb 0.36 -3.47 -0.05 0.00 -0.61 0.00 0.00 39.78 36.01 3in1 n ASN 81 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3in1 s ILE 82 N -2.78 4.57 0.01 2.41 1.01 0.13 -4.68 121.20 121.87 3in1 s ILE 82 Ca 0.06 1.88 -0.30 0.00 0.00 0.00 0.00 60.65 62.29 3in1 s ILE 82 Cb -0.03 -4.23 -0.06 0.00 0.01 0.00 0.00 42.46 38.15 3in1 s ILE 82 CO 0.08 0.35 1.45 -0.62 0.00 0.00 0.00 174.94 176.20 3in1 s ASP 83 N -0.12 6.80 -0.17 3.58 -1.08 0.64 -4.57 116.67 121.75 3in1 s ASP 83 Ca 0.43 2.18 0.16 0.00 -0.52 0.00 0.00 52.55 54.80 3in1 s ASP 83 Cb -0.22 -2.56 0.40 0.00 -1.46 0.00 0.00 42.92 39.08 3in1 s ASP 83 CO 0.27 -0.75 1.27 2.30 0.52 0.00 0.00 175.17 178.78 3in1 n ILE 84 N 4.70 2.12 -0.05 4.11 -5.35 -1.26 -1.97 119.36 121.65 3in1 n ILE 84 Ca 0.14 -2.30 0.02 0.00 -0.27 0.00 0.00 62.75 60.33 3in1 n ILE 84 Cb 0.43 -0.25 0.34 0.00 -1.74 0.00 0.00 39.64 38.41 3in1 n ILE 84 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 3in1 h GLN 85 N 0.77 0.64 -0.53 6.28 4.15 -1.91 -2.58 115.11 121.93 3in1 h GLN 85 Ca 0.02 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.37 3in1 h GLN 85 Cb 1.21 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.77 3in1 h GLN 85 CO 0.11 0.50 0.00 0.43 -1.93 0.00 0.00 178.83 177.94 3in1 n SER 86 N -4.39 5.40 -4.21 -0.69 7.64 -1.26 -4.72 113.62 111.39 3in1 n SER 86 Ca 0.04 -2.91 -0.41 0.00 1.01 0.00 0.00 58.87 56.60 3in1 n SER 86 Cb 0.12 -0.66 -0.05 0.00 -1.01 0.00 0.00 64.21 62.62 3in1 n SER 86 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3in1 s LEU 87 N -2.71 5.94 0.52 -3.43 0.20 -0.97 -2.81 118.68 115.41 3in1 s LEU 87 Ca 0.53 -3.23 -0.13 0.00 0.69 0.00 0.00 54.13 51.99 3in1 s LEU 87 Cb 0.40 -2.03 -0.06 0.00 -0.43 0.00 0.00 46.19 44.07 3in1 s LEU 87 CO 0.16 -0.35 0.95 -0.54 -0.29 0.00 0.00 176.35 176.27 3in1 s LYS 88 N -0.64 3.80 0.02 1.98 -0.14 -1.08 -4.90 119.74 118.78 3in1 s LYS 88 Ca 0.23 0.77 0.03 0.00 -1.36 0.00 0.00 55.97 55.63 3in1 s LYS 88 Cb -0.12 -2.18 -0.04 0.00 -1.68 0.00 0.00 37.83 33.81 3in1 s LYS 88 CO -0.08 -0.30 -0.02 -0.65 -0.76 0.00 0.00 175.35 173.54 3in1 s GLN 89 N -4.36 2.68 -0.08 1.68 -0.21 -1.26 -1.24 119.66 116.87 3in1 s GLN 89 Ca 0.56 -0.68 -0.01 0.00 0.02 0.00 0.00 55.36 55.24 3in1 s GLN 89 Cb -0.10 -2.60 0.03 0.00 1.00 0.00 0.00 33.01 31.33 3in1 s GLN 89 CO 0.38 0.60 0.01 0.34 -2.12 0.00 0.00 175.29 174.50 3in1 s ASP 90 N -1.66 1.65 0.44 5.90 -1.08 0.39 -4.89 116.67 117.42 3in1 s ASP 90 Ca 0.20 -0.12 0.30 0.00 -0.52 0.00 0.00 52.55 52.41 3in1 s ASP 90 Cb -0.11 -0.44 1.34 0.00 -1.46 0.00 0.00 42.92 42.25 3in1 s ASP 90 CO 0.11 -0.20 1.91 -0.37 0.52 0.00 0.00 175.17 177.13 3in1 h VAL 91 N 6.34 0.00 0.00 1.11 -1.51 -1.92 -2.82 116.25 117.46 3in1 h VAL 91 Ca -0.19 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 64.96 3in1 h VAL 91 Cb 1.12 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 31.47 3in1 h VAL 91 CO 0.26 0.00 0.00 -1.54 -1.23 0.00 0.00 177.57 175.06 3in1 n SER 92 N -2.73 0.00 -4.20 4.19 3.41 -1.26 -4.81 113.62 108.22 3in1 n SER 92 Ca 0.01 -0.59 -0.12 0.00 -0.26 0.00 0.00 58.87 57.90 3in1 n SER 92 Cb 0.23 -0.13 -0.10 0.00 -0.26 0.00 0.00 64.21 63.95 3in1 n SER 92 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3in1 s ILE 93 N -2.26 0.64 -0.13 -1.33 -4.36 -1.08 -5.14 121.20 107.53 3in1 s ILE 93 Ca 0.38 -1.96 -0.04 0.00 -0.26 0.00 0.00 60.65 58.78 3in1 s ILE 93 Cb 0.21 -1.94 -0.03 0.00 1.25 0.00 0.00 42.46 41.94 3in1 s ILE 93 CO 0.40 -0.63 0.02 -1.81 0.24 0.00 0.00 174.94 173.16 3in1 s ASP 94 N -3.11 5.32 0.20 4.36 1.01 -1.26 -4.16 116.67 119.03 3in1 s ASP 94 Ca 0.19 0.09 -0.31 0.00 0.71 0.00 0.00 52.55 53.24 3in1 s ASP 94 Cb 0.06 -1.70 -0.10 0.00 1.01 0.00 0.00 42.92 42.19 3in1 s ASP 94 CO 0.00 0.28 1.45 -0.89 0.21 0.00 0.00 175.17 176.23 3in1 s THR 95 N -0.30 2.79 0.28 -1.27 2.01 -1.26 -0.65 115.64 117.25 3in1 s THR 95 Ca 0.07 0.62 -0.30 0.00 0.31 0.00 0.00 61.69 62.39 3in1 s THR 95 Cb -0.12 -3.40 -0.12 0.00 0.01 0.00 0.00 72.50 68.87 3in1 s THR 95 CO 0.02 0.08 1.63 -0.44 -0.69 0.00 0.00 174.62 175.22 3in1 s SER 96 N 0.67 6.35 -0.15 3.53 0.01 -1.26 -4.70 113.70 118.13 3in1 s SER 96 Ca 0.63 2.96 -0.00 0.00 1.31 0.00 0.00 55.95 60.85 3in1 s SER 96 Cb -0.41 -2.63 0.03 0.00 0.21 0.00 0.00 66.02 63.22 3in1 s SER 96 CO 0.38 -0.94 -0.09 -0.63 0.41 0.00 0.00 173.24 172.37 3in1 s ILE 97 N 0.18 1.30 -0.31 1.44 1.01 -1.26 -2.20 121.20 121.36 3in1 s ILE 97 Ca 0.65 -0.61 -0.11 0.00 0.00 0.00 0.00 60.65 60.59 3in1 s ILE 97 Cb -0.49 -1.35 -0.02 0.00 0.01 0.00 0.00 42.46 40.62 3in1 s ILE 97 CO 0.46 0.28 0.18 0.20 0.00 0.00 0.00 174.94 176.06 3in1 s ASN 98 N 1.57 5.76 -0.28 3.58 0.01 0.30 -4.21 114.94 121.68 3in1 s ASN 98 Ca 0.02 -0.39 -0.16 0.00 -0.71 0.00 0.00 52.86 51.63 3in1 s ASN 98 Cb -0.14 -2.06 -0.03 0.00 0.41 0.00 0.00 41.25 39.43 3in1 s ASN 98 CO -0.09 -0.17 0.41 -0.69 -1.51 0.00 0.00 177.10 175.05 3in1 s VAL 99 N 1.67 5.14 -0.28 1.60 1.01 -0.66 -0.89 120.40 127.99 3in1 s VAL 99 Ca 0.06 0.59 -0.06 0.00 0.00 0.00 0.00 61.98 62.57 3in1 s VAL 99 Cb -0.17 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.46 3in1 s VAL 99 CO 0.08 0.10 0.06 -0.83 0.00 0.00 0.00 175.10 174.51 3in1 s GLY 100 N 1.63 1.76 -0.01 4.51 0.00 -0.76 -1.29 107.32 113.15 3in1 s GLY 100 Ca 0.16 -1.38 -0.09 0.00 0.00 0.00 0.00 44.72 43.42 3in1 s GLY 100 CO 0.10 0.60 0.28 1.08 0.00 0.00 0.00 173.10 175.17 3in1 s LEU 101 N 1.51 4.39 -0.02 0.66 1.02 -0.57 -0.06 118.68 125.61 3in1 s LEU 101 Ca 0.03 0.64 -0.01 0.00 0.02 0.00 0.00 54.13 54.82 3in1 s LEU 101 Cb -0.17 -2.56 0.02 0.00 0.02 0.00 0.00 46.19 43.50 3in1 s LEU 101 CO 0.02 0.29 0.05 -0.69 0.02 0.00 0.00 176.35 176.04 3in1 s VAL 102 N -1.21 -0.03 0.31 -1.59 1.01 -0.50 -2.12 120.40 116.28 3in1 s VAL 102 Ca 0.25 0.09 -0.07 0.00 0.00 0.00 0.00 61.98 62.25 3in1 s VAL 102 Cb -0.14 -0.09 -0.06 0.00 0.00 0.00 0.00 36.38 36.10 3in1 s VAL 102 CO 0.13 0.04 0.61 0.42 0.00 0.00 0.00 175.10 176.30 3in1 s THR 103 N 0.51 4.94 0.00 3.92 -4.23 -0.36 0.28 115.64 120.70 3in1 s THR 103 Ca -0.04 0.27 -0.01 0.00 -1.18 0.00 0.00 61.69 60.73 3in1 s THR 103 Cb -0.06 -3.72 -0.06 0.00 1.34 0.00 0.00 72.50 70.00 3in1 s THR 103 CO -0.02 -0.34 1.44 1.21 -0.54 0.00 0.00 174.62 176.38 3in1 n GLU 104 N -0.92 0.69 0.00 3.99 2.13 -1.24 -1.06 120.64 124.24 3in1 n GLU 104 Ca -0.00 -0.24 0.00 0.00 0.66 0.00 0.00 57.16 57.58 3in1 n GLU 104 Cb 0.54 -1.51 0.00 0.00 0.27 0.00 0.00 31.44 30.74 3in1 n GLU 104 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 3in1 n ASP 105 N 2.29 0.00 0.00 4.31 2.03 -1.26 -5.05 116.55 118.87 3in1 n ASP 105 Ca 0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.41 3in1 n ASP 105 Cb 0.33 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 3in1 n ASP 105 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3in1 n GLY 106 N 0.00 1.54 3.58 0.27 0.00 -0.22 -5.11 105.19 105.25 3in1 n GLY 106 Ca 0.00 -0.18 -0.48 0.00 0.00 0.00 0.00 46.02 45.36 3in1 n GLY 106 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3in1 n GLU 107 N 0.00 1.24 -4.18 1.61 1.02 -1.26 -4.67 120.64 114.40 3in1 n GLU 107 Ca 0.00 0.44 -0.18 0.00 -0.02 0.00 0.00 57.16 57.40 3in1 n GLU 107 Cb 0.00 -1.92 -0.12 0.00 -0.02 0.00 0.00 31.44 29.38 3in1 n GLU 107 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3in1 s ARG 108 N -0.61 0.85 0.07 3.49 0.52 -1.26 -1.22 118.95 120.78 3in1 s ARG 108 Ca 0.70 -1.01 -0.19 0.00 -0.52 0.00 0.00 55.73 54.71 3in1 s ARG 108 Cb -0.81 -0.81 0.04 0.00 0.52 0.00 0.00 34.95 33.89 3in1 s ARG 108 CO 0.53 0.17 0.46 -0.08 0.02 0.00 0.00 175.30 176.41 3in1 s THR 109 N -1.48 0.05 -0.04 0.02 -1.32 -0.90 -5.01 115.64 106.96 3in1 s THR 109 Ca -0.00 -0.38 0.02 0.00 -1.21 0.00 0.00 61.69 60.12 3in1 s THR 109 Cb -0.09 -1.01 0.01 0.00 -1.51 0.00 0.00 72.50 69.90 3in1 s THR 109 CO 0.02 -0.21 -0.08 -0.36 -2.21 0.00 0.00 174.62 171.78 3in1 s PHE 110 N -2.85 0.95 -0.21 9.09 0.08 -1.26 -1.51 117.98 122.27 3in1 s PHE 110 Ca -0.03 -0.26 -0.06 0.00 0.12 0.00 0.00 56.93 56.70 3in1 s PHE 110 Cb -0.00 -0.72 -0.02 0.00 -0.57 0.00 0.00 43.02 41.71 3in1 s PHE 110 CO -0.05 -0.14 0.02 0.08 -0.10 0.00 0.00 175.22 175.02 3in1 s VAL 111 N 0.44 4.03 0.35 -0.44 1.01 -0.41 -4.99 120.40 120.39 3in1 s VAL 111 Ca -0.07 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 61.68 3in1 s VAL 111 Cb -0.11 -2.84 -0.07 0.00 0.00 0.00 0.00 36.38 33.36 3in1 s VAL 111 CO 0.01 0.41 0.04 0.42 0.00 0.00 0.00 175.10 175.97 3in1 s THR 112 N 1.16 1.44 -0.58 3.92 -4.23 -1.26 -1.65 115.64 114.45 3in1 s THR 112 Ca 0.03 -2.01 -0.13 0.00 -1.18 0.00 0.00 61.69 58.40 3in1 s THR 112 Cb -0.14 -2.84 0.15 0.00 1.34 0.00 0.00 72.50 71.00 3in1 s THR 112 CO 0.02 -0.01 0.51 0.21 -0.54 0.00 0.00 174.62 174.80 3in1 s ASN 113 N -3.55 6.12 0.65 3.99 3.84 -1.26 -4.93 114.94 119.80 3in1 s ASN 113 Ca 0.36 -2.05 0.29 0.00 0.21 0.00 0.00 52.86 51.66 3in1 s ASN 113 Cb 0.09 -2.14 1.55 0.00 -0.55 0.00 0.00 41.25 40.20 3in1 s ASN 113 CO 0.16 -0.74 1.87 -0.09 -2.79 0.00 0.00 177.10 175.51 3in1 h ARG 114 N 8.47 0.00 -0.26 0.43 9.65 -1.99 0.08 114.38 130.76 3in1 h ARG 114 Ca -0.18 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.70 3in1 h ARG 114 Cb 1.07 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.65 3in1 h ARG 114 CO 0.92 0.00 0.00 0.09 2.80 0.00 0.00 179.97 183.78 3in1 n ASN 115 N -2.83 2.92 -4.55 -3.80 3.02 -1.26 -4.87 115.26 103.88 3in1 n ASN 115 Ca -0.02 -2.24 -0.28 0.00 -0.03 0.00 0.00 54.58 52.01 3in1 n ASN 115 Cb 0.39 -0.26 0.23 0.00 -0.61 0.00 0.00 39.78 39.53 3in1 n ASN 115 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3in1 s GLY 116 N -1.25 1.54 0.54 7.41 0.00 0.01 -4.72 107.32 110.85 3in1 s GLY 116 Ca 0.23 -0.25 0.28 0.00 0.00 0.00 0.00 44.72 44.98 3in1 s GLY 116 CO 0.11 0.44 1.95 1.48 0.00 0.00 0.00 173.10 177.08 3in1 h SER 117 N -2.41 0.00 -0.98 1.64 4.64 -1.16 -1.61 113.55 113.68 3in1 h SER 117 Ca -0.60 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 60.82 3in1 h SER 117 Cb 1.34 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.35 3in1 h SER 117 CO 0.53 0.00 0.61 0.25 -0.87 0.00 0.00 176.83 177.36 3in1 h LEU 118 N 0.00 0.93 -0.22 5.97 6.46 -1.87 -0.99 115.31 125.59 3in1 h LEU 118 Ca 0.32 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 58.12 3in1 h LEU 118 Cb 1.32 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 41.10 3in1 h LEU 118 CO -0.00 0.53 0.00 -0.50 -0.62 0.00 0.00 178.44 177.84 3in1 h TRP 119 N 1.02 0.00 0.00 1.25 4.06 -1.62 -3.29 115.95 117.37 3in1 h TRP 119 Ca 0.46 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 61.37 3in1 h TRP 119 Cb 0.37 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.53 3in1 h TRP 119 CO -0.01 0.00 -0.78 0.87 -3.56 0.00 0.00 178.44 174.96 3in1 h LYS 120 N 0.00 0.00 -6.56 0.49 1.79 -1.19 -3.42 116.57 107.67 3in1 h LYS 120 Ca 0.00 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.88 3in1 h LYS 120 Cb 0.87 0.00 0.09 0.00 -1.58 0.00 0.00 32.23 31.61 3in1 h LYS 120 CO 0.00 0.12 0.44 -0.11 -1.08 0.00 0.00 179.45 178.83 3in1 n LEU 121 N -2.89 2.72 -3.98 2.94 7.94 -0.91 -4.98 117.00 117.84 3in1 n LEU 121 Ca -0.01 1.16 -0.11 0.00 -1.11 0.00 0.00 56.01 55.95 3in1 n LEU 121 Cb 0.63 -1.38 -0.03 0.00 0.53 0.00 0.00 43.42 43.17 3in1 n LEU 121 CO 0.39 -0.79 0.28 0.54 -1.11 0.00 0.00 177.39 176.70 3in1 s ASN 122 N -0.06 0.33 0.66 1.96 2.20 -1.26 -4.30 114.94 114.47 3in1 s ASN 122 Ca 0.64 -1.19 0.34 0.00 -0.94 0.00 0.00 52.86 51.71 3in1 s ASN 122 Cb -0.67 0.70 1.86 0.00 -2.00 0.00 0.00 41.25 41.14 3in1 s ASN 122 CO 0.55 -1.37 2.05 -0.29 -2.94 0.00 0.00 177.10 175.11 3in1 h ILE 123 N 2.11 0.02 0.00 0.54 2.10 -1.94 -0.69 117.51 119.65 3in1 h ILE 123 Ca -0.28 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.66 3in1 h ILE 123 Cb 1.25 0.76 0.00 0.00 -1.09 0.00 0.00 36.82 37.74 3in1 h ILE 123 CO 0.37 0.00 0.00 0.44 -1.08 0.00 0.00 178.15 177.88 3in1 h ASP 124 N 0.00 0.00 -0.18 2.19 3.32 -1.97 -2.22 116.42 117.55 3in1 h ASP 124 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3in1 h ASP 124 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3in1 h ASP 124 CO -0.00 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.99 3in1 n ASP 125 N -2.96 1.76 -4.63 6.45 8.00 -0.27 -4.80 116.55 120.10 3in1 n ASP 125 Ca 0.00 -1.73 -0.37 0.00 0.71 0.00 0.00 54.79 53.40 3in1 n ASP 125 Cb 0.27 -0.12 -0.10 0.00 -0.02 0.00 0.00 41.12 41.16 3in1 n ASP 125 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3in1 s VAL 126 N -1.77 5.31 -0.70 2.53 1.01 -0.84 -4.46 120.40 121.48 3in1 s VAL 126 Ca 0.32 0.28 -0.14 0.00 0.00 0.00 0.00 61.98 62.45 3in1 s VAL 126 Cb 0.17 -3.56 0.18 0.00 0.00 0.00 0.00 36.38 33.18 3in1 s VAL 126 CO 0.26 0.28 0.63 -0.62 0.00 0.00 0.00 175.10 175.66 3in1 s ASP 127 N 1.33 6.42 0.51 3.32 -1.08 -1.26 -4.93 116.67 120.98 3in1 s ASP 127 Ca 0.10 -2.35 0.16 0.00 -0.52 0.00 0.00 52.55 49.93 3in1 s ASP 127 Cb -0.15 -2.18 1.23 0.00 -1.46 0.00 0.00 42.92 40.37 3in1 s ASP 127 CO 0.07 -0.66 2.13 -0.26 0.52 0.00 0.00 175.17 176.97 3in1 h PHE 128 N 8.15 0.05 -0.60 -5.34 0.04 -1.96 -2.50 116.94 114.78 3in1 h PHE 128 Ca -0.06 0.00 0.12 0.00 2.80 0.00 0.00 57.97 60.84 3in1 h PHE 128 Cb 1.06 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 39.15 3in1 h PHE 128 CO 0.89 0.03 0.41 0.00 -0.60 0.00 0.00 178.31 179.05 3in1 h ALA 129 N 1.96 2.18 0.00 2.45 0.00 -2.01 -0.28 119.26 123.56 3in1 h ALA 129 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3in1 h ALA 129 Cb 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3in1 h ALA 129 CO -0.00 -0.33 0.00 0.54 0.00 0.00 0.00 179.25 179.46 3in1 n ARG 130 N -4.45 0.27 -0.29 0.00 1.74 -0.94 -4.06 116.66 108.93 3in1 n ARG 130 Ca 0.11 0.23 0.21 0.00 -0.77 0.00 0.00 57.85 57.62 3in1 n ARG 130 Cb 0.47 -1.82 0.50 0.00 -1.02 0.00 0.00 32.46 30.60 3in1 n ARG 130 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 3in1 h PHE 131 N 0.00 0.61 0.00 -1.55 -1.00 -1.16 0.51 116.94 114.35 3in1 h PHE 131 Ca 0.00 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.80 3in1 h PHE 131 Cb 0.73 -0.18 0.00 0.00 3.61 0.00 0.00 35.95 40.11 3in1 h PHE 131 CO 0.00 0.12 0.00 -1.13 -1.61 0.00 0.00 178.31 175.69 3in1 n SER 132 N -4.56 0.00 0.11 2.17 3.41 -1.26 -2.97 113.62 110.52 3in1 n SER 132 Ca 0.22 -0.56 0.12 0.00 -0.26 0.00 0.00 58.87 58.39 3in1 n SER 132 Cb 0.78 -0.06 0.06 0.00 -0.26 0.00 0.00 64.21 64.72 3in1 n SER 132 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3in1 h GLN 133 N 0.00 0.00 -5.95 4.33 4.20 -1.17 -3.48 115.11 113.04 3in1 h GLN 133 Ca 0.00 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 58.10 3in1 h GLN 133 Cb 0.04 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 27.69 3in1 h GLN 133 CO 0.00 0.00 -0.67 0.00 -0.67 0.00 0.00 178.83 177.49 3in1 s ALA 134 N -3.31 3.00 -0.12 3.87 0.00 -1.16 -4.07 121.76 119.98 3in1 s ALA 134 Ca 0.02 -2.08 0.20 0.00 0.00 0.00 0.00 51.96 50.10 3in1 s ALA 134 Cb 0.10 -0.09 -0.24 0.00 0.00 0.00 0.00 23.12 22.88 3in1 s ALA 134 CO 0.76 0.08 0.45 1.63 0.00 0.00 0.00 175.76 178.68 3in1 n LYS 135 N -0.82 0.66 -4.00 0.00 5.02 -0.53 -4.96 118.16 113.52 3in1 n LYS 135 Ca -0.05 -0.02 -0.15 0.00 -2.02 0.00 0.00 58.31 56.07 3in1 n LYS 135 Cb 0.63 -1.60 -0.15 0.00 -0.02 0.00 0.00 35.03 33.89 3in1 n LYS 135 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3in1 s LEU 136 N -5.17 1.72 -0.18 -0.35 0.20 -0.21 -1.24 118.68 113.45 3in1 s LEU 136 Ca -0.07 -0.05 -0.06 0.00 0.69 0.00 0.00 54.13 54.64 3in1 s LEU 136 Cb 0.10 -0.18 -0.03 0.00 -0.43 0.00 0.00 46.19 45.65 3in1 s LEU 136 CO 0.85 -0.01 0.02 -0.22 -0.29 0.00 0.00 176.35 176.71 3in1 s LEU 137 N 0.30 3.55 -0.22 -0.68 2.96 0.46 -1.64 118.68 123.42 3in1 s LEU 137 Ca -0.03 -0.03 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 3in1 s LEU 137 Cb -0.05 -1.89 0.04 0.00 0.50 0.00 0.00 46.19 44.79 3in1 s LEU 137 CO -0.01 0.15 -0.15 -0.55 -1.32 0.00 0.00 176.35 174.47 3in1 s SER 138 N 0.51 3.80 -0.75 3.68 0.15 0.04 -0.30 113.70 120.83 3in1 s SER 138 Ca 0.01 -1.04 -0.19 0.00 0.70 0.00 0.00 55.95 55.42 3in1 s SER 138 Cb -0.13 -1.49 0.11 0.00 -1.71 0.00 0.00 66.02 62.80 3in1 s SER 138 CO 0.02 -0.11 0.93 -0.22 1.20 0.00 0.00 173.24 175.06 3in1 s LEU 139 N 1.21 5.12 -1.09 3.45 2.96 0.21 -0.78 118.68 129.75 3in1 s LEU 139 Ca -0.02 -1.65 -0.24 0.00 -0.22 0.00 0.00 54.13 52.00 3in1 s LEU 139 Cb -0.17 -2.36 -0.15 0.00 0.50 0.00 0.00 46.19 44.02 3in1 s LEU 139 CO -0.09 -1.14 1.97 0.00 -1.32 0.00 0.00 176.35 175.78 3in1 n ALA 140 N 6.57 1.42 -0.90 5.97 0.00 0.06 -2.91 120.51 130.72 3in1 n ALA 140 Ca 0.06 -2.80 0.00 0.00 0.00 0.00 0.00 53.44 50.70 3in1 n ALA 140 Cb 0.46 -3.46 0.00 0.00 0.00 0.00 0.00 19.45 16.45 3in1 n ALA 140 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3in1 n SER 141 N 15.40 -1.21 -4.75 0.00 7.64 -1.23 -4.42 113.62 125.04 3in1 n SER 141 Ca 0.44 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.91 3in1 n SER 141 Cb 0.46 -0.60 -0.03 0.00 -1.01 0.00 0.00 64.21 63.03 3in1 n SER 141 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3in1 s ILE 142 N 0.00 2.98 0.00 0.44 1.01 0.04 -2.34 121.20 123.32 3in1 s ILE 142 Ca 0.00 0.89 0.00 0.00 0.00 0.00 0.00 60.65 61.54 3in1 s ILE 142 Cb 0.00 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 38.90 3in1 s ILE 142 CO 0.00 0.18 0.00 0.49 0.00 0.00 0.00 174.94 175.61 3in1 n PHE 143 N 1.68 0.00 0.14 3.97 3.72 -1.26 -2.59 117.46 123.12 3in1 n PHE 143 Ca 0.03 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.30 3in1 n PHE 143 Cb 0.42 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.90 3in1 n PHE 143 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 3in1 h ASN 144 N 0.00 -0.50 -3.42 4.37 -1.24 -1.81 -3.33 115.58 109.65 3in1 h ASN 144 Ca 0.00 0.05 -0.73 0.00 0.71 0.00 0.00 56.30 56.33 3in1 h ASN 144 Cb 0.00 0.17 -0.30 0.00 0.73 0.00 0.00 38.32 38.92 3in1 h ASN 144 CO 0.00 -0.28 -0.36 -0.44 -1.29 0.00 0.00 177.43 175.06 3in1 s SER 145 N -4.85 5.72 0.35 1.15 0.01 -1.26 -4.87 113.70 109.95 3in1 s SER 145 Ca -0.15 -2.07 0.15 0.00 1.31 0.00 0.00 55.95 55.19 3in1 s SER 145 Cb 0.07 -2.00 1.14 0.00 0.21 0.00 0.00 66.02 65.43 3in1 s SER 145 CO 0.65 -0.65 1.62 -0.65 0.41 0.00 0.00 173.24 174.62 3in1 h PRO 146 N 8.25 0.14 0.00 12.44 0.11 -1.85 0.49 132.00 151.58 3in1 h PRO 146 Ca -0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.94 3in1 h PRO 146 Cb 1.06 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3in1 h PRO 146 CO 0.83 0.09 0.00 -0.07 -0.21 0.00 0.00 178.00 178.65 3in1 h LEU 147 N 0.14 0.00 -5.75 2.35 3.38 -1.82 -3.03 115.31 110.59 3in1 h LEU 147 Ca 0.76 0.00 -0.73 0.00 0.09 0.00 0.00 57.88 57.99 3in1 h LEU 147 Cb 1.83 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.48 3in1 h LEU 147 CO -0.71 0.00 2.56 0.18 0.09 0.00 0.00 178.44 180.56 3in1 n LEU 148 N -2.87 7.79 0.00 1.67 4.77 0.16 -4.69 117.00 123.84 3in1 n LEU 148 Ca -0.01 -4.73 -0.18 0.00 -0.03 0.00 0.00 56.01 51.06 3in1 n LEU 148 Cb 0.15 -1.43 0.13 0.00 -2.33 0.00 0.00 43.42 39.94 3in1 n LEU 148 CO 0.20 1.87 0.50 -0.90 -1.33 0.00 0.00 177.39 177.74 3in1 n ASP 149 N 2.65 -0.25 -0.20 -1.43 5.68 -1.15 -4.61 116.55 117.24 3in1 n ASP 149 Ca 0.59 -1.22 -0.00 0.00 -0.50 0.00 0.00 54.79 53.66 3in1 n ASP 149 Cb 0.28 -0.61 0.07 0.00 -1.14 0.00 0.00 41.12 39.72 3in1 n ASP 149 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3in1 h GLY 150 N -1.19 0.50 1.01 6.12 0.00 -1.92 0.24 103.07 107.83 3in1 h GLY 150 Ca -0.26 0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 3in1 h GLY 150 CO 0.18 -0.23 0.34 0.50 0.00 0.00 0.00 176.54 177.33 3in1 h LYS 151 N 0.03 1.00 -0.09 4.80 1.57 -1.93 0.10 116.57 122.05 3in1 h LYS 151 Ca 0.30 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 3in1 h LYS 151 Cb 0.47 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 3in1 h LYS 151 CO -0.60 0.78 0.03 0.00 -0.57 0.00 0.00 179.45 179.09 3in1 h ALA 152 N 1.16 0.12 -0.77 3.86 0.00 -1.66 -2.33 119.26 119.64 3in1 h ALA 152 Ca 0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3in1 h ALA 152 Cb 0.11 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3in1 h ALA 152 CO -0.03 -0.28 0.42 -0.07 0.00 0.00 0.00 179.25 179.29 3in1 h LEU 153 N -0.03 0.96 -0.97 0.00 3.38 -0.73 0.15 115.31 118.06 3in1 h LEU 153 Ca 0.03 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3in1 h LEU 153 Cb 0.19 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 3in1 h LEU 153 CO -0.00 0.77 0.62 0.74 0.09 0.00 0.00 178.44 180.66 3in1 h THR 154 N 1.08 1.26 -0.14 0.22 2.02 -0.64 0.31 112.91 117.02 3in1 h THR 154 Ca 0.27 -0.50 -0.10 0.00 0.77 0.00 0.00 66.41 66.86 3in1 h THR 154 Cb 0.02 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.28 3in1 h THR 154 CO -0.04 0.25 -0.30 -0.08 0.37 0.00 0.00 175.52 175.72 3in1 h GLU 155 N 1.32 0.45 0.02 6.66 4.57 -0.77 0.26 114.58 127.10 3in1 h GLU 155 Ca 0.35 -0.30 0.02 0.00 -1.18 0.00 0.00 59.36 58.25 3in1 h GLU 155 Cb -0.12 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 3in1 h GLU 155 CO -0.07 0.90 -0.11 0.82 -1.18 0.00 0.00 179.01 179.37 3in1 h ILE 156 N 0.05 0.74 -0.30 2.32 2.04 -0.40 -0.94 117.51 121.01 3in1 h ILE 156 Ca 0.00 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 3in1 h ILE 156 Cb 0.90 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 3in1 h ILE 156 CO 0.07 0.00 -0.03 -0.26 0.00 0.00 0.00 178.15 177.93 3in1 h PHE 157 N -0.20 0.49 -0.59 1.37 0.04 -0.39 -1.45 116.94 116.20 3in1 h PHE 157 Ca 0.03 -0.05 -0.06 0.00 2.80 0.00 0.00 57.97 60.69 3in1 h PHE 157 Cb 0.23 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.22 3in1 h PHE 157 CO -0.16 0.51 0.13 1.15 -0.60 0.00 0.00 178.31 179.33 3in1 h THR 158 N 0.45 1.25 -0.18 -1.55 2.02 -0.48 -0.44 112.91 113.98 3in1 h THR 158 Ca 0.10 -0.94 -0.09 0.00 0.77 0.00 0.00 66.41 66.25 3in1 h THR 158 Cb 0.34 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 3in1 h THR 158 CO 0.01 0.35 -0.29 1.56 0.37 0.00 0.00 175.52 177.52 3in1 h GLN 159 N 0.87 0.35 -0.32 6.66 1.08 -0.66 -2.76 115.11 120.33 3in1 h GLN 159 Ca 0.18 -0.13 -0.11 0.00 -1.45 0.00 0.00 58.65 57.13 3in1 h GLN 159 Cb 0.38 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 3in1 h GLN 159 CO 0.01 0.61 -0.25 0.00 -0.95 0.00 0.00 178.83 178.25 3in1 h ALA 160 N 1.39 0.46 0.00 3.87 0.00 -0.89 -3.15 119.26 120.95 3in1 h ALA 160 Ca 0.04 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 3in1 h ALA 160 Cb 0.67 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3in1 h ALA 160 CO 0.05 0.45 -0.20 0.87 0.00 0.00 0.00 179.25 180.42 3in1 h LYS 161 N 0.50 0.00 -6.75 0.00 1.79 -0.94 -3.20 116.57 107.97 3in1 h LYS 161 Ca 0.06 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 58.04 3in1 h LYS 161 Cb 0.81 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.43 3in1 h LYS 161 CO 0.07 0.20 0.24 0.00 -1.08 0.00 0.00 179.45 178.88 3in1 s ALA 162 N -4.12 3.29 0.00 3.86 0.00 -1.06 -1.87 121.76 121.87 3in1 s ALA 162 Ca -0.02 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.30 3in1 s ALA 162 Cb 0.13 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 20.22 3in1 s ALA 162 CO 0.63 0.24 0.00 0.54 0.00 0.00 0.00 175.76 177.17 3in1 n ARG 163 N 0.60 0.00 -2.17 0.00 3.00 -1.26 -4.81 116.66 112.02 3in1 n ARG 163 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 3in1 n ARG 163 Cb 0.51 -0.83 0.00 0.00 0.00 0.00 0.00 32.46 32.13 3in1 n ARG 163 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 3in1 n GLN 164 N -2.00 -3.31 -5.00 5.56 3.00 -0.78 -4.93 117.38 109.92 3in1 n GLN 164 Ca 0.00 2.38 -0.27 0.00 -0.01 0.00 0.00 57.00 59.10 3in1 n GLN 164 Cb 0.00 -3.11 -0.16 0.00 0.00 0.00 0.00 30.24 26.97 3in1 n GLN 164 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 3in1 s ILE 166 N -0.37 1.63 -0.19 5.09 1.01 -0.37 -5.00 121.20 122.99 3in1 s ILE 166 Ca 0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 60.65 59.76 3in1 s ILE 166 Cb 0.00 -1.37 -0.01 0.00 0.01 0.00 0.00 42.46 41.09 3in1 s ILE 166 CO 0.00 0.46 -0.06 -0.63 0.00 0.00 0.00 174.94 174.71 3in1 s ILE 167 N -0.29 3.40 0.04 2.92 1.01 -1.26 -0.40 121.20 126.62 3in1 s ILE 167 Ca 0.03 -0.50 0.08 0.00 0.00 0.00 0.00 60.65 60.26 3in1 s ILE 167 Cb -0.10 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.83 3in1 s ILE 167 CO 0.01 0.45 -0.24 0.00 0.00 0.00 0.00 174.94 175.16 3in1 s ALA 169 N -0.78 -1.06 0.00 0.00 0.00 -0.71 -0.62 121.76 118.59 3in1 s ALA 169 Ca 0.10 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.23 3in1 s ALA 169 Cb -0.09 -0.65 0.00 0.00 0.00 0.00 0.00 23.12 22.38 3in1 s ALA 169 CO 0.02 -0.21 0.00 -3.47 0.00 0.00 0.00 175.76 172.10 3in1 n ASP 170 N 2.72 0.86 -3.51 0.00 -0.08 -1.15 -1.01 116.55 114.39 3in1 n ASP 170 Ca -0.14 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.05 3in1 n ASP 170 Cb 0.57 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 44.02 3in1 n ASP 170 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 3in1 s ILE 172 N 1.63 0.00 0.24 5.18 -4.36 -1.07 -0.78 121.20 122.04 3in1 s ILE 172 Ca 0.00 -1.14 -0.30 0.00 -0.26 0.00 0.00 60.65 58.95 3in1 s ILE 172 Cb 0.00 -2.40 -0.09 0.00 1.25 0.00 0.00 42.46 41.22 3in1 s ILE 172 CO 0.00 0.00 1.31 -0.54 0.24 0.00 0.00 174.94 175.95 3in1 s LYS 173 N -3.31 4.38 0.37 0.37 1.02 -1.26 -4.82 119.74 116.50 3in1 s LYS 173 Ca 0.17 2.10 -0.26 0.00 0.02 0.00 0.00 55.97 58.00 3in1 s LYS 173 Cb -0.04 -3.16 -0.12 0.00 -0.52 0.00 0.00 37.83 33.99 3in1 s LYS 173 CO 0.10 -0.23 1.12 -2.30 -0.92 0.00 0.00 175.35 173.12 3in1 n PRO 174 N 2.13 1.63 -0.05 -1.68 -0.02 -1.26 -4.88 135.00 130.88 3in1 n PRO 174 Ca 0.04 0.58 -0.10 0.00 -2.02 0.00 0.00 63.50 62.01 3in1 n PRO 174 Cb 0.42 -2.12 -0.15 0.00 -0.02 0.00 0.00 33.50 31.64 3in1 n PRO 174 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3in1 n ARG 175 N 0.36 0.65 -1.85 -0.52 1.74 -1.26 -4.52 116.66 111.26 3in1 n ARG 175 Ca 0.08 0.20 -0.27 0.00 -0.77 0.00 0.00 57.85 57.08 3in1 n ARG 175 Cb 0.37 -1.70 0.04 0.00 -1.02 0.00 0.00 32.46 30.14 3in1 n ARG 175 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3in1 n LEU 176 N -2.97 5.67 -0.39 0.55 4.77 -1.26 -4.94 117.00 118.43 3in1 n LEU 176 Ca -0.23 -4.64 -0.05 0.00 -0.03 0.00 0.00 56.01 51.06 3in1 n LEU 176 Cb 1.08 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 41.64 3in1 n LEU 176 CO 0.44 1.94 -0.05 0.59 -1.33 0.00 0.00 177.39 178.98 3in1 n ASN 177 N -0.76 -4.95 -4.69 -1.43 3.02 -1.26 -4.99 115.26 100.20 3in1 n ASN 177 Ca 0.49 0.13 -0.32 0.00 -0.03 0.00 0.00 54.58 54.85 3in1 n ASN 177 Cb 0.88 -2.89 0.14 0.00 -0.61 0.00 0.00 39.78 37.30 3in1 n ASN 177 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3in1 s GLU 178 N -2.02 1.38 0.40 3.52 8.01 -1.26 -5.04 118.70 123.68 3in1 s GLU 178 Ca 0.00 1.57 0.04 0.00 0.01 0.00 0.00 54.97 56.59 3in1 s GLU 178 Cb 0.00 -1.77 -0.05 0.00 -4.31 0.00 0.00 34.13 28.01 3in1 s GLU 178 CO 0.00 -2.37 0.06 0.95 0.01 0.00 0.00 175.26 173.90 3in1 s THR 179 N -2.52 1.19 0.48 3.63 -4.23 -1.26 -4.84 115.64 108.10 3in1 s THR 179 Ca 0.68 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.37 3in1 s THR 179 Cb -0.24 -2.59 0.35 0.00 1.34 0.00 0.00 72.50 71.36 3in1 s THR 179 CO 0.55 0.00 2.00 0.25 -0.54 0.00 0.00 174.62 176.88 3in1 h LEU 180 N 1.81 0.20 -0.61 4.79 5.85 -1.97 -0.78 115.31 124.61 3in1 h LEU 180 Ca -0.41 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.41 3in1 h LEU 180 Cb 1.27 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 42.19 3in1 h LEU 180 CO 0.70 0.12 0.24 0.44 -0.34 0.00 0.00 178.44 179.60 3in1 h ASP 181 N 0.22 0.26 0.07 1.25 3.45 -1.95 -1.13 116.42 118.59 3in1 h ASP 181 Ca 0.24 0.07 0.00 0.00 0.43 0.00 0.00 57.03 57.78 3in1 h ASP 181 Cb 0.67 0.04 0.00 0.00 -0.56 0.00 0.00 39.33 39.48 3in1 h ASP 181 CO -0.05 0.16 0.00 0.44 -1.57 0.00 0.00 179.24 178.22 3in1 h ASP 182 N 0.44 0.00 0.00 6.45 3.32 -1.53 -3.01 116.42 122.09 3in1 h ASP 182 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 3in1 h ASP 182 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3in1 h ASP 182 CO -0.29 0.00 0.00 2.30 -1.72 0.00 0.00 179.24 179.53 3in1 n ILE 183 N -2.36 0.32 -0.31 0.35 -5.35 -0.79 -3.63 119.36 107.59 3in1 n ILE 183 Ca -0.01 -0.39 -0.01 0.00 -0.27 0.00 0.00 62.75 62.07 3in1 n ILE 183 Cb 0.06 1.00 0.11 0.00 -1.74 0.00 0.00 39.64 39.07 3in1 n ILE 183 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3in1 h GLU 185 N 1.03 0.85 -0.70 0.00 4.81 -1.87 -2.73 114.58 115.96 3in1 h GLU 185 Ca 0.34 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 3in1 h GLU 185 Cb 0.05 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 3in1 h GLU 185 CO -0.13 0.88 0.29 0.00 -0.73 0.00 0.00 179.01 179.31 3in1 h ALA 186 N 0.94 1.18 0.00 2.92 0.00 -1.65 -2.52 119.26 120.13 3in1 h ALA 186 Ca 0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3in1 h ALA 186 Cb 0.48 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3in1 h ALA 186 CO 0.02 0.60 -0.10 -0.07 0.00 0.00 0.00 179.25 179.70 3in1 h LEU 187 N 1.02 0.00 -1.15 0.00 3.38 -0.55 -2.71 115.31 115.29 3in1 h LEU 187 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3in1 h LEU 187 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3in1 h LEU 187 CO -0.02 0.10 0.00 -1.54 0.09 0.00 0.00 178.44 177.07 3in1 n SER 188 N -3.99 0.56 0.00 -0.43 3.41 -0.95 -1.23 113.62 111.00 3in1 n SER 188 Ca -0.02 0.72 0.11 0.00 -0.26 0.00 0.00 58.87 59.42 3in1 n SER 188 Cb 0.19 -0.81 0.07 0.00 -0.26 0.00 0.00 64.21 63.40 3in1 n SER 188 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3in1 n TYR 189 N -2.21 0.02 -2.62 7.33 4.01 -1.02 -4.59 117.16 118.07 3in1 n TYR 189 Ca -0.00 0.01 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 3in1 n TYR 189 Cb 0.09 -0.16 -0.03 0.00 -0.31 0.00 0.00 39.34 38.93 3in1 n TYR 189 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3in1 s VAL 190 N -3.02 4.59 -0.10 -0.72 1.01 -0.37 -4.73 120.40 117.07 3in1 s VAL 190 Ca 0.09 1.87 -0.15 0.00 0.00 0.00 0.00 61.98 63.79 3in1 s VAL 190 Cb 0.17 -4.20 -0.27 0.00 0.00 0.00 0.00 36.38 32.08 3in1 s VAL 190 CO 0.78 0.15 0.55 0.44 0.00 0.00 0.00 175.10 177.03 3in1 h ASP 191 N 6.76 0.38 -3.25 3.32 3.32 -1.50 -1.25 116.42 124.21 3in1 h ASP 191 Ca -0.41 -0.86 -0.47 0.00 0.02 0.00 0.00 57.03 55.31 3in1 h ASP 191 Cb 1.22 -0.13 -0.38 0.00 0.22 0.00 0.00 39.33 40.26 3in1 h ASP 191 CO 0.77 1.63 -0.77 -0.31 -1.72 0.00 0.00 179.24 178.83 3in1 s TYR 192 N -2.48 0.88 -0.12 4.55 2.02 -0.81 -0.79 117.35 120.60 3in1 s TYR 192 Ca -0.20 -0.41 -0.02 0.00 -0.37 0.00 0.00 57.07 56.06 3in1 s TYR 192 Cb 0.04 -0.92 -0.03 0.00 -0.40 0.00 0.00 41.96 40.65 3in1 s TYR 192 CO 0.77 -0.42 -0.03 -1.17 -1.57 0.00 0.00 175.55 173.12 3in1 s LEU 193 N 1.90 3.31 -0.72 -1.29 2.96 -0.57 -1.74 118.68 122.53 3in1 s LEU 193 Ca 0.04 -0.05 0.04 0.00 -0.22 0.00 0.00 54.13 53.94 3in1 s LEU 193 Cb -0.13 -1.77 0.26 0.00 0.50 0.00 0.00 46.19 45.04 3in1 s LEU 193 CO -0.06 0.25 0.88 0.49 -1.32 0.00 0.00 176.35 176.59 3in1 n PHE 194 N 2.96 3.42 -1.38 5.38 3.72 -0.18 -0.46 117.46 130.91 3in1 n PHE 194 Ca -0.18 -3.88 -0.31 0.00 -0.05 0.00 0.00 57.45 53.03 3in1 n PHE 194 Cb 0.53 -0.68 0.08 0.00 -0.94 0.00 0.00 39.48 38.46 3in1 n PHE 194 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 3in1 s PRO 195 N -2.53 2.47 -0.13 -1.08 0.02 -1.20 -4.71 135.00 127.84 3in1 s PRO 195 Ca 0.38 1.06 -0.10 0.00 0.02 0.00 0.00 61.00 62.37 3in1 s PRO 195 Cb 0.13 -1.93 -0.05 0.00 0.02 0.00 0.00 34.50 32.67 3in1 s PRO 195 CO 0.01 -1.46 0.19 1.21 -0.33 0.00 0.00 177.00 176.62 3in1 s ASN 196 N -3.56 6.41 0.14 2.53 2.47 -1.26 -1.39 114.94 120.28 3in1 s ASN 196 Ca 0.60 0.48 -0.29 0.00 0.42 0.00 0.00 52.86 54.07 3in1 s ASN 196 Cb -0.16 -2.11 -0.04 0.00 -1.45 0.00 0.00 41.25 37.49 3in1 s ASN 196 CO 0.56 0.30 1.57 0.15 -3.72 0.00 0.00 177.10 175.96 3in1 h PHE 197 N 5.58 -1.28 -0.69 0.43 3.57 -1.68 0.13 116.94 122.99 3in1 h PHE 197 Ca -0.49 0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.09 3in1 h PHE 197 Cb 1.20 0.60 -0.04 0.00 2.79 0.00 0.00 35.95 40.50 3in1 h PHE 197 CO 0.69 -0.47 0.44 0.00 -2.23 0.00 0.00 178.31 176.74 3in1 h ALA 198 N 0.21 0.90 -0.19 2.41 0.00 -1.96 0.50 119.26 121.13 3in1 h ALA 198 Ca 0.10 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 3in1 h ALA 198 Cb 0.61 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3in1 h ALA 198 CO -0.49 0.22 -0.57 0.93 0.00 0.00 0.00 179.25 179.34 3in1 h GLU 199 N 0.86 0.61 -0.42 0.00 5.08 -1.91 -1.99 114.58 116.81 3in1 h GLU 199 Ca 0.27 -0.40 -0.09 0.00 -1.00 0.00 0.00 59.36 58.14 3in1 h GLU 199 Cb -0.00 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3in1 h GLU 199 CO -0.10 1.01 -0.12 0.00 -1.00 0.00 0.00 179.01 178.80 3in1 h ALA 200 N 0.90 1.00 -0.32 3.43 0.00 -0.39 -0.05 119.26 123.83 3in1 h ALA 200 Ca 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 3in1 h ALA 200 Cb 1.13 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3in1 h ALA 200 CO 0.11 0.60 0.12 -0.22 0.00 0.00 0.00 179.25 179.86 3in1 h LYS 201 N 0.68 0.48 -0.30 0.00 3.64 -0.74 -0.09 116.57 120.25 3in1 h LYS 201 Ca 0.11 -0.09 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 3in1 h LYS 201 Cb 0.60 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 3in1 h LYS 201 CO 0.04 0.49 -0.10 1.25 -2.27 0.00 0.00 179.45 178.86 3in1 h LEU 202 N 0.36 0.47 0.04 5.20 5.85 -1.09 -0.39 115.31 125.76 3in1 h LEU 202 Ca 0.11 -0.12 -0.26 0.00 0.84 0.00 0.00 57.88 58.45 3in1 h LEU 202 Cb 0.20 -0.13 0.02 0.00 0.37 0.00 0.00 40.66 41.12 3in1 h LEU 202 CO -0.01 0.62 -1.03 0.25 -0.34 0.00 0.00 178.44 177.93 3in1 h LEU 203 N 0.46 0.84 0.00 2.25 5.85 -0.65 -3.33 115.31 120.73 3in1 h LEU 203 Ca 0.09 -0.77 -0.02 0.00 0.84 0.00 0.00 57.88 58.02 3in1 h LEU 203 Cb 0.46 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 3in1 h LEU 203 CO 0.03 1.51 -1.01 0.71 -0.34 0.00 0.00 178.44 179.33 3in1 h THR 204 N 0.26 0.05 0.00 1.05 1.35 -1.02 -3.41 112.91 111.20 3in1 h THR 204 Ca -0.14 -1.11 0.00 0.00 -0.55 0.00 0.00 66.41 64.61 3in1 h THR 204 Cb 1.70 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.69 3in1 h THR 204 CO 0.20 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 176.11 3in1 n GLY 205 N 1.20 0.56 3.98 5.82 0.00 -0.16 -5.02 105.19 111.57 3in1 n GLY 205 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 3in1 n GLY 205 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3in1 s LYS 206 N -0.21 3.22 -0.01 1.61 -0.14 -1.24 -5.05 119.74 117.93 3in1 s LYS 206 Ca 0.00 -0.84 0.06 0.00 -1.36 0.00 0.00 55.97 53.83 3in1 s LYS 206 Cb 0.00 -2.80 -0.09 0.00 -1.68 0.00 0.00 37.83 33.27 3in1 s LYS 206 CO 0.00 0.12 0.13 0.39 -0.76 0.00 0.00 175.35 175.23 3in1 n GLU 207 N -1.65 0.36 -4.11 1.68 1.02 -1.26 -4.66 120.64 112.01 3in1 n GLU 207 Ca -0.03 -0.05 -0.26 0.00 -0.02 0.00 0.00 57.16 56.80 3in1 n GLU 207 Cb 0.58 -1.12 -0.06 0.00 -0.02 0.00 0.00 31.44 30.82 3in1 n GLU 207 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3in1 s THR 208 N -2.36 4.31 0.20 2.62 -4.23 -1.26 -4.99 115.64 109.93 3in1 s THR 208 Ca -0.02 -1.17 -0.10 0.00 -1.18 0.00 0.00 61.69 59.22 3in1 s THR 208 Cb 0.04 -3.20 0.13 0.00 1.34 0.00 0.00 72.50 70.81 3in1 s THR 208 CO 0.23 -0.11 1.76 -0.07 -0.54 0.00 0.00 174.62 175.89 3in1 h LEU 209 N 2.46 0.30 -0.34 4.79 3.38 -1.98 0.10 115.31 124.02 3in1 h LEU 209 Ca -0.47 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 3in1 h LEU 209 Cb 1.20 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 3in1 h LEU 209 CO 0.62 0.19 0.19 0.44 0.09 0.00 0.00 178.44 179.97 3in1 h ASP 210 N 0.47 0.43 -0.55 -0.43 5.19 -1.98 -0.10 116.42 119.44 3in1 h ASP 210 Ca 0.29 -0.09 -0.10 0.00 -0.62 0.00 0.00 57.03 56.51 3in1 h ASP 210 Cb 0.30 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.68 3in1 h ASP 210 CO -0.26 0.40 -0.05 -0.08 -3.12 0.00 0.00 179.24 176.13 3in1 h GLU 211 N 0.43 1.03 -0.25 3.56 4.81 -1.84 0.14 114.58 122.45 3in1 h GLU 211 Ca 0.12 -0.34 -0.03 0.00 -0.13 0.00 0.00 59.36 58.97 3in1 h GLU 211 Cb 0.06 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 3in1 h GLU 211 CO -0.02 1.03 0.02 0.82 -0.73 0.00 0.00 179.01 180.14 3in1 h ILE 212 N 0.93 1.24 -0.50 2.32 2.04 -0.67 -2.80 117.51 120.06 3in1 h ILE 212 Ca 0.16 -0.83 -0.03 0.00 1.00 0.00 0.00 64.86 65.16 3in1 h ILE 212 Cb 0.60 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 3in1 h ILE 212 CO 0.04 0.26 0.19 0.00 0.00 0.00 0.00 178.15 178.64 3in1 h ALA 213 N 0.84 1.39 -0.25 1.87 0.00 -0.82 -2.49 119.26 119.79 3in1 h ALA 213 Ca 0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3in1 h ALA 213 Cb 0.37 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3in1 h ALA 213 CO 0.01 0.46 0.04 -0.44 0.00 0.00 0.00 179.25 179.32 3in1 h ASP 214 N 0.72 0.33 -0.72 0.00 3.32 -0.71 -1.65 116.42 117.70 3in1 h ASP 214 Ca 0.17 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 3in1 h ASP 214 Cb 0.16 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 3in1 h ASP 214 CO -0.01 0.35 0.37 0.00 -1.72 0.00 0.00 179.24 178.23 3in1 h PHE 216 N 1.00 0.95 -0.44 0.00 0.04 -1.50 -3.05 116.94 113.93 3in1 h PHE 216 Ca 0.25 -0.40 -0.04 0.00 2.80 0.00 0.00 57.97 60.57 3in1 h PHE 216 Cb 0.08 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.06 3in1 h PHE 216 CO 0.00 1.22 0.09 -0.07 -0.60 0.00 0.00 178.31 178.95 3in1 h LEU 217 N 0.41 0.62 -1.74 1.54 3.38 -1.15 -1.56 115.31 116.81 3in1 h LEU 217 Ca -0.04 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 3in1 h LEU 217 Cb 1.27 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 3in1 h LEU 217 CO 0.13 0.63 -0.16 0.00 0.09 0.00 0.00 178.44 179.14 3in1 h ALA 218 N 1.45 1.61 0.00 1.53 0.00 -0.84 -0.17 119.26 122.85 3in1 h ALA 218 Ca 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3in1 h ALA 218 Cb 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3in1 h ALA 218 CO -0.00 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.45 3in1 n GLY 220 N 1.22 0.73 3.77 0.00 0.00 -0.08 -2.73 105.19 108.10 3in1 n GLY 220 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3in1 n GLY 220 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3in1 s VAL 221 N -2.00 2.33 -0.08 1.61 1.01 -1.11 -4.58 120.40 117.59 3in1 s VAL 221 Ca 0.00 0.32 -0.26 0.00 0.00 0.00 0.00 61.98 62.03 3in1 s VAL 221 Cb 0.00 -3.20 -0.24 0.00 0.00 0.00 0.00 36.38 32.94 3in1 s VAL 221 CO 0.00 0.07 0.97 0.11 0.00 0.00 0.00 175.10 176.24 3in1 h LYS 222 N 3.77 0.09 -4.10 2.72 1.79 -1.32 -3.41 116.57 116.10 3in1 h LYS 222 Ca -0.49 -0.11 -0.40 0.00 -2.18 0.00 0.00 60.65 57.48 3in1 h LYS 222 Cb 1.23 0.03 -0.33 0.00 -1.58 0.00 0.00 32.23 31.58 3in1 h LYS 222 CO 0.69 0.90 -0.77 0.99 -1.08 0.00 0.00 179.45 180.18 3in1 s THR 223 N -2.95 0.53 -0.16 -0.16 2.01 0.03 -4.25 115.64 110.69 3in1 s THR 223 Ca -0.17 -0.15 -0.03 0.00 0.31 0.00 0.00 61.69 61.66 3in1 s THR 223 Cb -0.00 -0.54 -0.02 0.00 0.01 0.00 0.00 72.50 71.95 3in1 s THR 223 CO 0.72 0.21 -0.06 -0.69 -0.69 0.00 0.00 174.62 174.10 3in1 s VAL 224 N 0.72 3.55 -0.40 3.82 1.01 -0.20 -1.51 120.40 127.39 3in1 s VAL 224 Ca -0.10 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.45 3in1 s VAL 224 Cb -0.13 -2.55 0.11 0.00 0.00 0.00 0.00 36.38 33.81 3in1 s VAL 224 CO 0.00 0.49 0.13 -0.69 0.00 0.00 0.00 175.10 175.03 3in1 s VAL 225 N 0.60 2.12 -0.15 2.92 1.01 0.39 -0.88 120.40 126.41 3in1 s VAL 225 Ca -0.04 -2.54 -0.23 0.00 0.00 0.00 0.00 61.98 59.18 3in1 s VAL 225 Cb -0.15 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 3in1 s VAL 225 CO 0.03 -0.69 0.69 -0.63 0.00 0.00 0.00 175.10 174.50 3in1 s ILE 226 N 0.59 5.00 -0.13 2.22 1.01 0.87 -3.24 121.20 127.52 3in1 s ILE 226 Ca 0.13 1.36 -0.26 0.00 0.00 0.00 0.00 60.65 61.88 3in1 s ILE 226 Cb -0.21 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.23 3in1 s ILE 226 CO -0.07 0.14 0.87 -0.54 0.00 0.00 0.00 174.94 175.34 3in1 s LYS 227 N 1.57 4.36 -0.31 2.79 1.02 -0.48 -0.16 119.74 128.53 3in1 s LYS 227 Ca 0.34 1.11 0.07 0.00 0.02 0.00 0.00 55.97 57.51 3in1 s LYS 227 Cb -0.16 -3.55 0.46 0.00 -0.52 0.00 0.00 37.83 34.06 3in1 s LYS 227 CO 0.13 -0.26 1.34 0.25 -0.92 0.00 0.00 175.35 175.89 3in1 n THR 228 N 4.54 2.58 0.00 2.17 -2.24 -0.55 -1.71 114.28 119.07 3in1 n THR 228 Ca 0.05 -3.57 0.00 0.00 -2.27 0.00 0.00 64.05 58.25 3in1 n THR 228 Cb 0.49 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 3in1 n THR 228 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3in1 n GLY 229 N -0.91 2.56 0.38 3.38 0.00 -1.24 -1.08 105.19 108.29 3in1 n GLY 229 Ca 0.38 0.34 0.20 0.00 0.00 0.00 0.00 46.02 46.94 3in1 n GLY 229 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3in1 h LYS 230 N 0.00 0.00 -0.26 1.61 1.63 -2.00 0.16 116.57 117.71 3in1 h LYS 230 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3in1 h LYS 230 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 3in1 h LYS 230 CO 0.00 0.00 0.00 -0.25 -3.45 0.00 0.00 179.45 175.75 3in1 n ASP 231 N -3.79 2.07 0.00 4.20 8.00 -0.24 -4.31 116.55 122.48 3in1 n ASP 231 Ca 0.07 -1.83 0.00 0.00 0.71 0.00 0.00 54.79 53.74 3in1 n ASP 231 Cb 0.59 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 3in1 n ASP 231 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3in1 n GLY 232 N 1.19 1.48 3.32 0.44 0.00 0.04 -3.66 105.19 107.99 3in1 n GLY 232 Ca 0.16 -0.70 -0.11 0.00 0.00 0.00 0.00 46.02 45.37 3in1 n GLY 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3in1 s PHE 234 N -3.48 2.72 -0.03 0.00 5.36 0.78 -1.51 117.98 121.82 3in1 s PHE 234 Ca 0.01 -1.20 0.06 0.00 -0.96 0.00 0.00 56.93 54.83 3in1 s PHE 234 Cb 0.01 -1.85 -0.02 0.00 -0.34 0.00 0.00 43.02 40.82 3in1 s PHE 234 CO -0.10 -0.55 -0.19 0.42 -1.46 0.00 0.00 175.22 173.35 3in1 s ILE 235 N 0.81 2.67 -0.07 3.12 1.01 -1.26 -0.09 121.20 127.39 3in1 s ILE 235 Ca -0.06 -0.93 -0.03 0.00 0.00 0.00 0.00 60.65 59.62 3in1 s ILE 235 Cb -0.15 -2.02 0.04 0.00 0.01 0.00 0.00 42.46 40.33 3in1 s ILE 235 CO -0.01 0.55 0.15 -0.75 0.00 0.00 0.00 174.94 174.88 3in1 s LYS 236 N -0.80 0.11 -0.10 2.79 2.20 -0.06 -4.31 119.74 119.58 3in1 s LYS 236 Ca 0.11 0.36 -0.04 0.00 -0.36 0.00 0.00 55.97 56.05 3in1 s LYS 236 Cb -0.10 -0.14 0.05 0.00 -1.51 0.00 0.00 37.83 36.12 3in1 s LYS 236 CO 0.01 -0.15 0.19 0.50 -0.36 0.00 0.00 175.35 175.54 3in1 s ARG 237 N 1.05 0.06 7.80 4.03 3.52 -1.26 -1.03 118.95 133.12 3in1 s ARG 237 Ca -0.08 0.61 0.00 0.00 -0.13 0.00 0.00 55.73 56.13 3in1 s ARG 237 Cb -0.10 -0.21 0.00 0.00 -1.56 0.00 0.00 34.95 33.08 3in1 s ARG 237 CO -0.05 -0.30 0.00 0.41 -0.81 0.00 0.00 175.30 174.55 3in1 n GLY 238 N 5.30 3.29 3.00 8.12 0.00 -1.26 -4.73 105.19 118.91 3in1 n GLY 238 Ca -0.05 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 3in1 n GLY 238 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3in1 n ASP 239 N 5.20 5.70 0.00 1.61 8.00 -1.26 -5.11 116.55 130.68 3in1 n ASP 239 Ca 0.00 -3.22 0.00 0.00 0.71 0.00 0.00 54.79 52.28 3in1 n ASP 239 Cb 0.00 -1.39 0.00 0.00 -0.02 0.00 0.00 41.12 39.71 3in1 n ASP 239 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3in1 n THR 241 N 2.53 0.00 -3.75 -3.53 -2.24 -1.26 -5.13 114.28 100.90 3in1 n THR 241 Ca 0.33 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.98 3in1 n THR 241 Cb 0.36 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.46 3in1 n THR 241 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3in1 s LYS 243 N -1.35 0.25 -0.26 -0.78 1.02 -1.26 -5.00 119.74 112.36 3in1 s LYS 243 Ca 0.00 0.48 0.02 0.00 0.02 0.00 0.00 55.97 56.49 3in1 s LYS 243 Cb 0.00 -0.02 0.07 0.00 -0.52 0.00 0.00 37.83 37.36 3in1 s LYS 243 CO 0.00 -0.12 -0.06 0.08 -0.92 0.00 0.00 175.35 174.33 3in1 s VAL 244 N 0.87 1.86 0.48 3.17 1.01 -0.57 -5.02 120.40 122.20 3in1 s VAL 244 Ca -0.06 -1.54 -0.23 0.00 0.00 0.00 0.00 61.98 60.16 3in1 s VAL 244 Cb -0.07 -2.10 -0.08 0.00 0.00 0.00 0.00 36.38 34.13 3in1 s VAL 244 CO -0.06 -0.15 1.11 -2.65 0.00 0.00 0.00 175.10 173.35 3in1 n PRO 245 N 4.53 1.43 -1.21 2.72 -0.02 -1.26 -1.80 135.00 139.39 3in1 n PRO 245 Ca -0.11 0.52 -0.29 0.00 -2.02 0.00 0.00 63.50 61.60 3in1 n PRO 245 Cb 0.43 -2.23 0.16 0.00 -0.02 0.00 0.00 33.50 31.83 3in1 n PRO 245 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3in1 s ALA 246 N -1.32 1.28 0.27 3.55 0.00 -1.24 -4.74 121.76 119.56 3in1 s ALA 246 Ca 0.67 -0.23 -0.30 0.00 0.00 0.00 0.00 51.96 52.09 3in1 s ALA 246 Cb -0.49 -3.15 -0.11 0.00 0.00 0.00 0.00 23.12 19.38 3in1 s ALA 246 CO 0.54 -2.57 1.57 0.08 0.00 0.00 0.00 175.76 175.37 3in1 s VAL 247 N -2.97 2.22 0.44 0.00 1.01 -1.26 -4.90 120.40 114.94 3in1 s VAL 247 Ca 0.64 0.18 -0.19 0.00 0.00 0.00 0.00 61.98 62.61 3in1 s VAL 247 Cb -0.18 -3.11 -0.10 0.00 0.00 0.00 0.00 36.38 32.99 3in1 s VAL 247 CO 0.57 0.03 0.93 0.00 0.00 0.00 0.00 175.10 176.63 3in1 s ALA 248 N 0.16 3.08 0.00 5.51 0.00 -1.03 -4.20 121.76 125.28 3in1 s ALA 248 Ca 0.64 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.91 3in1 s ALA 248 Cb -0.47 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 19.56 3in1 s ALA 248 CO 0.45 0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.68 3in1 n GLY 249 N -0.83 2.97 3.73 0.00 0.00 -1.26 -4.88 105.19 104.93 3in1 n GLY 249 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3in1 n GLY 249 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3in1 s ILE 250 N -1.59 2.39 -0.30 -0.61 1.01 -1.26 -5.00 121.20 115.84 3in1 s ILE 250 Ca 0.00 0.30 -0.06 0.00 0.00 0.00 0.00 60.65 60.89 3in1 s ILE 250 Cb 0.00 -3.19 0.02 0.00 0.01 0.00 0.00 42.46 39.30 3in1 s ILE 250 CO 0.00 0.03 0.07 0.42 0.00 0.00 0.00 174.94 175.46 3in1 s THR 251 N 0.67 3.76 0.03 2.92 -4.23 -1.26 -5.09 115.64 112.44 3in1 s THR 251 Ca 0.67 -0.89 -0.30 0.00 -1.18 0.00 0.00 61.69 59.99 3in1 s THR 251 Cb -0.45 -3.00 -0.04 0.00 1.34 0.00 0.00 72.50 70.34 3in1 s THR 251 CO 0.37 0.00 1.06 0.00 -0.54 0.00 0.00 174.62 175.52 3in1 s ALA 252 N 1.44 3.25 -0.04 3.99 0.00 -1.26 -4.72 121.76 124.42 3in1 s ALA 252 Ca 0.01 0.66 -0.16 0.00 0.00 0.00 0.00 51.96 52.47 3in1 s ALA 252 Cb -0.18 -3.38 -0.10 0.00 0.00 0.00 0.00 23.12 19.47 3in1 s ALA 252 CO 0.02 -0.29 0.66 0.82 0.00 0.00 0.00 175.76 176.96 3in1 h ILE 253 N 4.63 0.26 -2.29 0.00 2.04 -0.70 -3.47 117.51 117.98 3in1 h ILE 253 Ca -0.41 -0.79 -0.07 0.00 1.00 0.00 0.00 64.86 64.59 3in1 h ILE 253 Cb 1.22 0.43 -0.21 0.00 -0.74 0.00 0.00 36.82 37.51 3in1 h ILE 253 CO 0.77 0.07 0.01 1.51 0.00 0.00 0.00 178.15 180.50 3in1 s ASP 254 N -5.13 -0.60 -0.24 1.72 -4.77 -1.21 -5.06 116.67 101.38 3in1 s ASP 254 Ca -0.09 1.04 0.10 0.00 -3.30 0.00 0.00 52.55 50.30 3in1 s ASP 254 Cb 0.01 1.04 0.68 0.00 -1.09 0.00 0.00 42.92 43.55 3in1 s ASP 254 CO 0.30 -0.30 1.61 0.35 0.70 0.00 0.00 175.17 177.83 3in1 n THR 255 N 2.31 2.47 -1.81 2.11 -2.24 -1.26 -4.42 114.28 111.44 3in1 n THR 255 Ca -0.15 -1.28 -0.42 0.00 -2.27 0.00 0.00 64.05 59.93 3in1 n THR 255 Cb 0.56 -0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 68.40 3in1 n THR 255 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3in1 s ILE 256 N -2.57 2.60 0.00 2.28 -1.09 -1.26 -1.32 121.20 119.84 3in1 s ILE 256 Ca 0.47 0.22 0.00 0.00 -2.23 0.00 0.00 60.65 59.11 3in1 s ILE 256 Cb 0.37 -3.14 0.00 0.00 -1.58 0.00 0.00 42.46 38.10 3in1 s ILE 256 CO 0.13 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.45 3in1 n GLY 257 N 4.05 0.70 0.27 6.18 0.00 -1.26 -4.00 105.19 111.14 3in1 n GLY 257 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 3in1 n GLY 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3in1 h ALA 258 N 0.00 0.97 -0.85 4.61 0.00 -1.54 -1.14 119.26 121.32 3in1 h ALA 258 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3in1 h ALA 258 Cb 0.05 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3in1 h ALA 258 CO 0.00 0.09 0.50 0.78 0.00 0.00 0.00 179.25 180.62 3in1 h GLY 259 N 0.74 1.24 1.11 0.00 0.00 -1.91 0.35 103.07 104.60 3in1 h GLY 259 Ca 0.32 -0.53 -0.09 0.00 0.00 0.00 0.00 47.33 47.04 3in1 h GLY 259 CO -0.19 0.51 0.07 -0.55 0.00 0.00 0.00 176.54 176.38 3in1 h ASP 260 N 1.18 1.04 -0.53 0.19 3.32 -1.68 -0.77 116.42 119.17 3in1 h ASP 260 Ca 0.30 -0.27 -0.12 0.00 0.02 0.00 0.00 57.03 56.97 3in1 h ASP 260 Cb -0.03 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 3in1 h ASP 260 CO -0.05 1.06 -0.15 0.78 -1.72 0.00 0.00 179.24 179.15 3in1 h ASN 261 N 1.00 1.04 0.50 6.45 2.35 -0.78 -1.38 115.58 124.77 3in1 h ASN 261 Ca 0.19 -0.37 -0.02 0.00 -0.55 0.00 0.00 56.30 55.55 3in1 h ASN 261 Cb 0.48 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 3in1 h ASN 261 CO 0.02 1.17 -0.32 0.15 -1.65 0.00 0.00 177.43 176.80 3in1 h PHE 262 N 0.90 -0.86 -0.79 1.19 3.57 -0.62 -0.78 116.94 119.56 3in1 h PHE 262 Ca 0.13 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.72 3in1 h PHE 262 Cb 0.73 0.31 -0.07 0.00 2.79 0.00 0.00 35.95 39.71 3in1 h PHE 262 CO 0.05 -0.49 0.43 0.00 -2.23 0.00 0.00 178.31 176.07 3in1 h ALA 263 N -0.37 1.11 0.04 2.41 0.00 -1.09 -0.38 119.26 121.00 3in1 h ALA 263 Ca -0.06 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3in1 h ALA 263 Cb 0.65 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3in1 h ALA 263 CO 0.05 0.05 -0.02 0.77 0.00 0.00 0.00 179.25 180.10 3in1 h SER 264 N 0.73 -0.05 -0.91 0.00 0.02 -0.96 -0.16 113.55 112.23 3in1 h SER 264 Ca 0.38 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.34 3in1 h SER 264 Cb 0.37 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.87 3in1 h SER 264 CO -0.25 -0.03 0.60 1.23 -1.14 0.00 0.00 176.83 177.23 3in1 h GLY 265 N -0.06 1.27 0.82 -3.77 0.00 -0.59 -1.13 103.07 99.63 3in1 h GLY 265 Ca -0.01 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 3in1 h GLY 265 CO 0.01 0.47 0.03 -2.75 0.00 0.00 0.00 176.54 174.30 3in1 h PHE 266 N 1.23 0.18 -0.97 5.60 3.57 -0.69 -2.24 116.94 123.61 3in1 h PHE 266 Ca 0.33 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.83 3in1 h PHE 266 Cb -0.14 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.50 3in1 h PHE 266 CO 0.00 0.33 0.64 0.82 -2.23 0.00 0.00 178.31 177.87 3in1 h ILE 267 N -0.02 1.23 -0.30 1.41 2.04 -0.71 -0.44 117.51 120.72 3in1 h ILE 267 Ca 0.03 -0.45 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 3in1 h ILE 267 Cb 0.24 -0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.12 3in1 h ILE 267 CO -0.00 0.24 0.17 0.00 0.00 0.00 0.00 178.15 178.56 3in1 h ALA 268 N 1.40 0.39 -0.75 1.87 0.00 -1.05 -1.28 119.26 119.84 3in1 h ALA 268 Ca 0.36 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 3in1 h ALA 268 Cb -0.12 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3in1 h ALA 268 CO -0.08 -0.10 0.27 0.00 0.00 0.00 0.00 179.25 179.34 3in1 h ALA 269 N 1.05 1.06 -0.09 0.00 0.00 -0.93 -2.31 119.26 118.05 3in1 h ALA 269 Ca 0.11 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3in1 h ALA 269 Cb 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3in1 h ALA 269 CO -0.02 0.65 -0.01 1.25 0.00 0.00 0.00 179.25 181.12 3in1 h LEU 270 N 1.10 -0.05 -1.86 0.00 5.85 -0.75 -2.00 115.31 117.60 3in1 h LEU 270 Ca 0.25 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 3in1 h LEU 270 Cb 0.25 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 3in1 h LEU 270 CO -0.01 -0.01 -0.13 -0.07 -0.34 0.00 0.00 178.44 177.87 3in1 h LEU 271 N 0.02 0.00 -0.91 2.25 3.38 -1.04 -1.39 115.31 117.63 3in1 h LEU 271 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3in1 h LEU 271 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3in1 h LEU 271 CO -0.08 0.13 0.00 -0.62 0.09 0.00 0.00 178.44 177.97 3in1 n GLU 272 N -3.72 1.60 -1.35 1.13 1.02 -0.81 -4.94 120.64 113.57 3in1 n GLU 272 Ca -0.02 -0.90 -0.06 0.00 -0.02 0.00 0.00 57.16 56.16 3in1 n GLU 272 Cb 0.24 -1.38 -0.02 0.00 -0.02 0.00 0.00 31.44 30.26 3in1 n GLU 272 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3in1 n GLY 273 N 1.07 0.72 3.81 0.62 0.00 -0.52 -5.04 105.19 105.86 3in1 n GLY 273 Ca 0.16 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 3in1 n GLY 273 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3in1 s LYS 274 N -2.85 3.07 0.79 1.61 1.02 -0.85 -5.03 119.74 117.50 3in1 s LYS 274 Ca 0.00 1.05 -0.11 0.00 0.02 0.00 0.00 55.97 56.92 3in1 s LYS 274 Cb 0.00 -2.00 0.06 0.00 -0.52 0.00 0.00 37.83 35.37 3in1 s LYS 274 CO 0.00 -1.00 1.10 0.54 -0.92 0.00 0.00 175.35 175.07 3in1 s ASN 275 N -3.42 4.60 0.30 2.83 2.20 -1.26 -4.72 114.94 115.47 3in1 s ASN 275 Ca 0.60 1.27 0.06 0.00 -0.94 0.00 0.00 52.86 53.84 3in1 s ASN 275 Cb -0.15 -2.00 0.74 0.00 -2.00 0.00 0.00 41.25 37.84 3in1 s ASN 275 CO 0.48 -1.90 1.76 0.25 -2.94 0.00 0.00 177.10 174.76 3in1 h LEU 276 N -1.04 0.71 -0.36 3.54 5.85 -1.99 0.32 115.31 122.34 3in1 h LEU 276 Ca -0.47 0.11 -0.12 0.00 0.84 0.00 0.00 57.88 58.24 3in1 h LEU 276 Cb 1.27 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 3in1 h LEU 276 CO 0.60 0.22 -0.26 -0.09 -0.34 0.00 0.00 178.44 178.58 3in1 h ARG 277 N 0.70 0.80 -0.58 1.25 2.43 -1.99 -1.93 114.38 115.05 3in1 h ARG 277 Ca 0.58 -0.39 -0.04 0.00 -0.81 0.00 0.00 59.98 59.32 3in1 h ARG 277 Cb 0.94 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.46 3in1 h ARG 277 CO -0.41 1.02 0.20 0.93 -1.51 0.00 0.00 179.97 180.20 3in1 h GLU 278 N 0.59 0.87 -0.60 0.20 5.08 -1.63 -0.77 114.58 118.32 3in1 h GLU 278 Ca 0.07 -0.15 -0.09 0.00 -1.00 0.00 0.00 59.36 58.19 3in1 h GLU 278 Cb 0.82 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 3in1 h GLU 278 CO 0.07 0.73 0.02 0.00 -1.00 0.00 0.00 179.01 178.84 3in1 h ALA 280 N 1.06 0.62 -0.66 0.00 0.00 -0.69 -1.23 119.26 118.36 3in1 h ALA 280 Ca 0.18 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3in1 h ALA 280 Cb 0.52 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3in1 h ALA 280 CO 0.03 0.29 0.15 0.00 0.00 0.00 0.00 179.25 179.72 3in1 h ARG 281 N 0.63 1.06 -0.77 0.00 3.08 -0.94 0.12 114.38 117.55 3in1 h ARG 281 Ca 0.15 -0.26 -0.05 0.00 0.07 0.00 0.00 59.98 59.89 3in1 h ARG 281 Cb 0.31 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 3in1 h ARG 281 CO -0.00 0.95 0.27 0.35 -1.07 0.00 0.00 179.97 180.47 3in1 h PHE 282 N 0.98 1.22 -0.42 3.04 3.57 -1.04 -0.30 116.94 123.99 3in1 h PHE 282 Ca 0.21 -0.11 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 3in1 h PHE 282 Cb 0.37 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3in1 h PHE 282 CO 0.03 0.94 -0.02 0.00 -2.23 0.00 0.00 178.31 177.02 3in1 h ALA 283 N 1.14 0.56 -0.69 2.41 0.00 -0.80 -1.26 119.26 120.62 3in1 h ALA 283 Ca 0.25 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3in1 h ALA 283 Cb 0.27 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3in1 h ALA 283 CO -0.01 0.37 0.22 -0.91 0.00 0.00 0.00 179.25 178.92 3in1 h ASN 284 N 0.58 0.99 -0.48 0.00 2.35 -0.46 -1.18 115.58 117.38 3in1 h ASN 284 Ca 0.11 -0.17 -0.09 0.00 -0.55 0.00 0.00 56.30 55.60 3in1 h ASN 284 Cb 0.52 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 3in1 h ASN 284 CO 0.03 0.92 -0.06 0.00 -1.65 0.00 0.00 177.43 176.67 3in1 h ALA 285 N 1.21 0.66 -0.08 -0.83 0.00 -0.90 0.96 119.26 120.28 3in1 h ALA 285 Ca 0.23 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3in1 h ALA 285 Cb 0.28 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3in1 h ALA 285 CO -0.01 0.51 0.02 1.15 0.00 0.00 0.00 179.25 180.92 3in1 h THR 286 N 0.74 1.19 -0.75 0.00 2.02 -1.04 -2.33 112.91 112.74 3in1 h THR 286 Ca 0.13 -0.57 -0.03 0.00 0.77 0.00 0.00 66.41 66.71 3in1 h THR 286 Cb 0.59 1.42 -0.03 0.00 -1.74 0.00 0.00 68.15 68.39 3in1 h THR 286 CO 0.04 0.16 0.34 0.00 0.37 0.00 0.00 175.52 176.43 3in1 h ALA 287 N 0.81 1.19 -0.42 6.16 0.00 -1.17 -2.62 119.26 123.22 3in1 h ALA 287 Ca 0.02 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3in1 h ALA 287 Cb 0.24 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3in1 h ALA 287 CO -0.00 0.61 0.27 0.00 0.00 0.00 0.00 179.25 180.13 3in1 h ALA 288 N 1.30 0.53 -0.74 0.00 0.00 -0.64 -2.21 119.26 117.51 3in1 h ALA 288 Ca 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3in1 h ALA 288 Cb 0.14 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3in1 h ALA 288 CO -0.03 -0.03 0.47 0.82 0.00 0.00 0.00 179.25 180.48 3in1 h ILE 289 N 0.55 1.20 0.00 0.00 2.04 -1.13 -2.85 117.51 117.31 3in1 h ILE 289 Ca 0.15 -0.39 -0.10 0.00 1.00 0.00 0.00 64.86 65.52 3in1 h ILE 289 Cb -0.05 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.14 3in1 h ILE 289 CO -0.04 0.20 -0.49 0.77 0.00 0.00 0.00 178.15 178.59 3in1 h SER 290 N 1.00 0.00 1.13 1.72 4.64 -1.05 -2.85 113.55 118.15 3in1 h SER 290 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3in1 h SER 290 Cb -0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3in1 h SER 290 CO -0.05 0.49 0.00 1.33 -0.87 0.00 0.00 176.83 177.72 3in1 n VAL 291 N -3.84 0.32 1.39 0.95 0.24 -0.95 -2.92 118.33 113.52 3in1 n VAL 291 Ca -0.01 -0.08 0.14 0.00 -2.04 0.00 0.00 64.34 62.35 3in1 n VAL 291 Cb 0.52 -0.59 0.63 0.00 -1.47 0.00 0.00 33.84 32.93 3in1 n VAL 291 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3in1 n LEU 292 N -1.82 0.38 -4.31 1.34 4.77 -1.07 0.03 117.00 116.31 3in1 n LEU 292 Ca 0.06 0.07 -0.17 0.00 -0.03 0.00 0.00 56.01 55.94 3in1 n LEU 292 Cb 0.36 -0.21 -0.10 0.00 -2.33 0.00 0.00 43.42 41.14 3in1 n LEU 292 CO 0.27 0.07 -0.43 -0.44 -1.33 0.00 0.00 177.39 175.53 3in1 s SER 293 N -2.52 2.27 0.04 -1.43 0.01 -1.15 -4.77 113.70 106.16 3in1 s SER 293 Ca 0.28 -1.01 -0.24 0.00 1.31 0.00 0.00 55.95 56.29 3in1 s SER 293 Cb 0.20 -0.09 -0.06 0.00 0.21 0.00 0.00 66.02 66.29 3in1 s SER 293 CO 0.48 -0.23 0.71 -0.69 0.41 0.00 0.00 173.24 173.92 3in1 s VAL 294 N -3.10 4.74 0.00 3.43 1.01 -1.26 -4.50 120.40 120.72 3in1 s VAL 294 Ca 0.20 1.51 0.00 0.00 0.00 0.00 0.00 61.98 63.69 3in1 s VAL 294 Cb 0.00 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.33 3in1 s VAL 294 CO 0.04 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.16 3in1 n GLY 295 N 2.30 2.29 0.11 4.51 0.00 -1.26 -4.51 105.19 108.63 3in1 n GLY 295 Ca -0.04 -1.79 -0.12 0.00 0.00 0.00 0.00 46.02 44.06 3in1 n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3in1 h ALA 296 N 0.00 0.19 -0.40 4.61 0.00 -1.91 -3.33 119.26 118.42 3in1 h ALA 296 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3in1 h ALA 296 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3in1 h ALA 296 CO 0.00 -0.05 0.00 0.25 0.00 0.00 0.00 179.25 179.45 3in1 n THR 297 N -4.70 2.21 0.15 0.00 -2.24 -1.26 -4.67 114.28 103.77 3in1 n THR 297 Ca -0.06 -1.58 -0.11 0.00 -2.27 0.00 0.00 64.05 60.04 3in1 n THR 297 Cb 0.26 -0.13 -0.07 0.00 -2.10 0.00 0.00 70.33 68.30 3in1 n THR 297 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3in1 h THR 298 N 2.69 0.46 0.35 4.28 2.02 -1.79 -3.39 112.91 117.54 3in1 h THR 298 Ca 0.00 -0.76 -0.00 0.00 0.77 0.00 0.00 66.41 66.42 3in1 h THR 298 Cb 1.51 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 68.62 3in1 h THR 298 CO 0.27 0.10 -0.45 1.23 0.37 0.00 0.00 175.52 177.04 3in1 h GLY 299 N -0.96 -1.05 -7.59 2.16 0.00 -1.81 -3.35 103.07 90.47 3in1 h GLY 299 Ca -0.04 0.53 -0.51 0.00 0.00 0.00 0.00 47.33 47.30 3in1 h GLY 299 CO 0.07 -0.32 1.61 0.14 0.00 0.00 0.00 176.54 178.04 3in1 s VAL 300 N -5.91 3.84 0.10 4.60 1.01 -1.26 -4.73 120.40 118.05 3in1 s VAL 300 Ca -0.17 -1.32 -0.10 0.00 0.00 0.00 0.00 61.98 60.39 3in1 s VAL 300 Cb 0.06 -4.87 -0.21 0.00 0.00 0.00 0.00 36.38 31.37 3in1 s VAL 300 CO 0.62 -1.55 1.25 0.11 0.00 0.00 0.00 175.10 175.52 3in1 h LYS 301 N 8.86 0.60 0.00 2.72 1.57 -1.84 -3.48 116.57 125.01 3in1 h LYS 301 Ca 0.31 -0.63 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 3in1 h LYS 301 Cb 0.92 0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.40 3in1 h LYS 301 CO 1.35 1.24 0.00 0.27 -0.57 0.00 0.00 179.45 181.74 3in1 n ASN 302 N -3.82 0.00 0.00 0.86 0.23 -1.26 -4.98 115.26 106.29 3in1 n ASN 302 Ca -0.09 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.96 3in1 n ASN 302 Cb 0.85 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.55 3in1 n ASN 302 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 3in1 n ARG 303 N 0.00 0.00 -0.33 -3.83 0.63 -1.26 -4.25 116.66 107.62 3in1 n ARG 303 Ca 0.00 0.00 0.15 0.00 -0.92 0.00 0.00 57.85 57.08 3in1 n ARG 303 Cb 0.00 -0.43 0.34 0.00 0.45 0.00 0.00 32.46 32.82 3in1 n ARG 303 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 3in1 h LYS 304 N 0.00 0.52 -0.72 -0.14 1.63 -1.98 0.85 116.57 116.73 3in1 h LYS 304 Ca 0.00 -0.03 0.08 0.00 -0.85 0.00 0.00 60.65 59.85 3in1 h LYS 304 Cb 0.00 -0.12 -0.07 0.00 -0.60 0.00 0.00 32.23 31.45 3in1 h LYS 304 CO 0.00 0.34 0.38 -0.07 -3.45 0.00 0.00 179.45 176.65 3in1 h LEU 305 N 0.54 0.53 -0.16 5.20 -0.00 -1.98 0.05 115.31 119.48 3in1 h LEU 305 Ca 0.60 0.05 -0.05 0.00 -0.00 0.00 0.00 57.88 58.47 3in1 h LEU 305 Cb 1.11 -0.05 -0.00 0.00 -0.00 0.00 0.00 40.66 41.72 3in1 h LEU 305 CO -0.48 0.31 -0.12 0.58 -0.00 0.00 0.00 178.44 178.74 3in1 h VAL 306 N 0.66 1.33 0.00 1.22 2.07 -1.21 -2.60 116.25 117.73 3in1 h VAL 306 Ca 0.34 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 3in1 h VAL 306 Cb 0.30 1.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 3in1 h VAL 306 CO -0.24 0.36 -0.06 -0.33 0.02 0.00 0.00 177.57 177.32 3in1 h GLU 307 N 0.01 0.00 -0.11 1.57 5.08 -0.94 -1.11 114.58 119.08 3in1 h GLU 307 Ca 0.03 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.16 3in1 h GLU 307 Cb 0.62 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.88 3in1 h GLU 307 CO 0.03 0.06 -0.84 1.96 -1.00 0.00 0.00 179.01 179.23 3in1 h GLN 308 N 0.00 0.74 -0.12 2.33 4.20 -0.92 -2.83 115.11 118.51 3in1 h GLN 308 Ca -0.00 -0.64 -0.04 0.00 0.06 0.00 0.00 58.65 58.02 3in1 h GLN 308 Cb 0.12 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 3in1 h GLN 308 CO 0.01 1.25 -0.13 1.25 -0.67 0.00 0.00 178.83 180.54 3in1 h LEU 309 N 0.48 0.17 -1.37 1.46 6.46 -0.92 -2.17 115.31 119.42 3in1 h LEU 309 Ca -0.07 -0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 57.61 3in1 h LEU 309 Cb 1.47 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 41.34 3in1 h LEU 309 CO 0.17 0.32 -0.15 -0.07 -0.62 0.00 0.00 178.44 178.10 3in1 h LEU 310 N 0.18 0.23 -0.16 2.25 4.07 -1.00 0.25 115.31 121.12 3in1 h LEU 310 Ca 0.04 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.95 3in1 h LEU 310 Cb 0.34 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.02 3in1 h LEU 310 CO 0.02 0.40 0.00 -1.84 -1.08 0.00 0.00 178.44 175.94 3in1 n GLU 311 N -4.26 0.13 -0.43 1.13 0.28 -0.83 -3.27 120.64 113.40 3in1 n GLU 311 Ca -0.01 0.21 0.07 0.00 -0.16 0.00 0.00 57.16 57.28 3in1 n GLU 311 Cb 0.28 -1.69 0.14 0.00 1.43 0.00 0.00 31.44 31.61 3in1 n GLU 311 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3in1 n GLU 312 N -1.93 1.18 -0.45 3.44 1.02 -0.24 -4.85 120.64 118.81 3in1 n GLU 312 Ca 0.05 -2.67 0.41 0.00 -0.02 0.00 0.00 57.16 54.93 3in1 n GLU 312 Cb 0.31 -1.33 0.77 0.00 -0.02 0.00 0.00 31.44 31.17 3in1 n GLU 312 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 3in1 h TYR 313 N 0.47 0.00 -0.01 -0.32 3.20 -1.01 -3.46 116.97 115.84 3in1 h TYR 313 Ca -0.02 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.85 3in1 h TYR 313 Cb 1.11 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.38 3in1 h TYR 313 CO 0.32 0.00 0.00 0.39 -1.64 0.00 0.00 178.16 177.23