#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rfl s PHE 5 N 0.00 0.34 0.63 7.33 0.40 -1.26 -4.30 117.98 121.12 2rfl s PHE 5 Ca 0.00 -0.04 -0.18 0.00 -0.60 0.00 0.00 56.93 56.11 2rfl s PHE 5 Cb 0.00 -0.33 -0.02 0.00 0.51 0.00 0.00 43.02 43.18 2rfl s PHE 5 CO 0.00 -0.08 1.21 -2.14 0.70 0.00 0.00 175.22 174.91 2rfl s PRO 6 N 0.52 2.76 -0.01 0.24 0.02 -1.23 -4.09 135.00 133.21 2rfl s PRO 6 Ca -0.05 1.81 0.16 0.00 0.02 0.00 0.00 61.00 62.94 2rfl s PRO 6 Cb -0.08 -1.90 -0.21 0.00 0.02 0.00 0.00 34.50 32.33 2rfl s PRO 6 CO -0.01 -1.37 0.56 0.25 -0.33 0.00 0.00 177.00 176.10 2rfl n THR 7 N -1.90 0.00 -3.94 0.99 -2.24 0.44 -4.92 114.28 102.71 2rfl n THR 7 Ca 0.14 -0.22 -0.20 0.00 -2.27 0.00 0.00 64.05 61.50 2rfl n THR 7 Cb 0.50 0.66 -0.17 0.00 -2.10 0.00 0.00 70.33 69.22 2rfl n THR 7 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2rfl s ARG 8 N -2.77 0.51 -0.22 -0.78 3.52 -1.10 -3.44 118.95 114.69 2rfl s ARG 8 Ca 0.01 0.05 -0.05 0.00 -0.13 0.00 0.00 55.73 55.62 2rfl s ARG 8 Cb 0.12 -0.72 -0.02 0.00 -1.56 0.00 0.00 34.95 32.77 2rfl s ARG 8 CO 0.67 -0.18 -0.02 0.08 -0.81 0.00 0.00 175.30 175.05 2rfl s VAL 9 N 1.31 3.65 -0.16 7.11 1.01 -0.56 -1.38 120.40 131.39 2rfl s VAL 9 Ca -0.05 -0.40 -0.06 0.00 0.00 0.00 0.00 61.98 61.46 2rfl s VAL 9 Cb -0.13 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 2rfl s VAL 9 CO -0.02 0.42 0.06 -0.31 0.00 0.00 0.00 175.10 175.24 2rfl s TYR 10 N 1.32 3.28 -0.26 5.22 1.51 0.15 -0.80 117.35 127.78 2rfl s TYR 10 Ca 0.04 0.14 0.02 0.00 -1.01 0.00 0.00 57.07 56.27 2rfl s TYR 10 Cb -0.14 -2.01 0.06 0.00 -0.11 0.00 0.00 41.96 39.75 2rfl s TYR 10 CO -0.00 0.27 -0.08 -0.51 -1.11 0.00 0.00 175.55 174.12 2rfl s LEU 11 N -0.00 3.32 -0.22 -1.29 1.43 -0.21 -1.14 118.68 120.56 2rfl s LEU 11 Ca 0.06 -1.40 -0.01 0.00 -1.03 0.00 0.00 54.13 51.75 2rfl s LEU 11 Cb -0.12 -1.46 0.02 0.00 0.03 0.00 0.00 46.19 44.66 2rfl s LEU 11 CO 0.01 -0.22 -0.10 -0.22 0.23 0.00 0.00 176.35 176.05 2rfl s LEU 12 N 1.16 2.83 0.23 1.79 2.96 -0.88 -1.27 118.68 125.51 2rfl s LEU 12 Ca -0.07 -0.74 -0.23 0.00 -0.22 0.00 0.00 54.13 52.87 2rfl s LEU 12 Cb -0.20 -1.62 -0.09 0.00 0.50 0.00 0.00 46.19 44.79 2rfl s LEU 12 CO -0.06 -0.07 0.80 -0.60 -1.32 0.00 0.00 176.35 175.10 2rfl s ARG 13 N 1.33 4.43 0.77 1.98 3.52 -0.91 -3.00 118.95 127.08 2rfl s ARG 13 Ca 0.02 1.08 -0.14 0.00 -0.13 0.00 0.00 55.73 56.56 2rfl s ARG 13 Cb -0.15 -2.97 0.06 0.00 -1.56 0.00 0.00 34.95 30.34 2rfl s ARG 13 CO -0.07 0.41 1.22 -3.38 -0.81 0.00 0.00 175.30 172.68 2rfl s HIS 14 N -1.44 1.86 1.08 5.12 -3.43 -1.15 -0.65 115.29 116.67 2rfl s HIS 14 Ca 0.43 1.63 -0.15 0.00 -0.80 0.00 0.00 55.06 56.18 2rfl s HIS 14 Cb -0.19 -3.53 0.23 0.00 -1.43 0.00 0.00 32.58 27.66 2rfl s HIS 14 CO 0.23 -2.87 1.10 0.00 -2.00 0.00 0.00 174.74 171.20 2rfl s ALA 15 N -2.00 0.74 0.13 -1.38 0.00 -1.26 -1.31 121.76 116.69 2rfl s ALA 15 Ca 0.75 -0.56 -0.31 0.00 0.00 0.00 0.00 51.96 51.84 2rfl s ALA 15 Cb -0.30 -3.04 -0.11 0.00 0.00 0.00 0.00 23.12 19.66 2rfl s ALA 15 CO 0.48 -3.15 1.82 1.17 0.00 0.00 0.00 175.76 176.08 2rfl n LYS 16 N -4.41 2.78 -4.02 0.00 4.81 -1.26 -4.77 118.16 111.28 2rfl n LYS 16 Ca 0.07 1.01 -0.24 0.00 -0.87 0.00 0.00 58.31 58.28 2rfl n LYS 16 Cb 0.58 -2.90 -0.04 0.00 0.02 0.00 0.00 35.03 32.70 2rfl n LYS 16 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2rfl s ALA 17 N 2.53 3.78 0.55 3.14 0.00 -1.26 -2.67 121.76 127.83 2rfl s ALA 17 Ca 0.81 -1.20 0.03 0.00 0.00 0.00 0.00 51.96 51.60 2rfl s ALA 17 Cb -0.49 -1.57 0.05 0.00 0.00 0.00 0.00 23.12 21.11 2rfl s ALA 17 CO 0.37 0.40 0.77 0.00 0.00 0.00 0.00 175.76 177.30 2rfl s ALA 18 N -1.88 4.07 -0.20 0.00 0.00 -0.57 -4.71 121.76 118.47 2rfl s ALA 18 Ca 0.33 -1.52 -0.07 0.00 0.00 0.00 0.00 51.96 50.70 2rfl s ALA 18 Cb -0.10 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 21.06 2rfl s ALA 18 CO 0.27 -0.76 0.05 -1.58 0.00 0.00 0.00 175.76 173.74 2rfl s TRP 19 N -2.72 3.18 0.00 0.00 0.52 -1.26 -4.59 118.94 114.07 2rfl s TRP 19 Ca 0.59 -0.08 0.00 0.00 0.02 0.00 0.00 56.10 56.62 2rfl s TRP 19 Cb -0.09 -2.11 0.00 0.00 -1.15 0.00 0.00 33.47 30.12 2rfl s TRP 19 CO 0.38 0.01 0.00 -2.13 0.02 0.00 0.00 176.95 175.23 2rfl n ARG 25 N 3.89 0.00 -0.28 4.98 0.63 -1.26 -4.90 116.66 119.72 2rfl n ARG 25 Ca -0.16 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 56.77 2rfl n ARG 25 Cb 0.52 0.00 0.13 0.00 0.45 0.00 0.00 32.46 33.57 2rfl n ARG 25 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 2rfl h ASP 26 N 0.00 0.70 -0.96 6.15 3.58 -2.02 -2.29 116.42 121.58 2rfl h ASP 26 Ca 0.00 0.03 0.31 0.00 0.42 0.00 0.00 57.03 57.79 2rfl h ASP 26 Cb 0.00 -0.11 -0.16 0.00 1.72 0.00 0.00 39.33 40.78 2rfl h ASP 26 CO 0.00 0.44 0.35 0.15 -2.88 0.00 0.00 179.24 177.30 2rfl h PHE 27 N 0.83 0.53 -0.07 0.28 3.57 -2.02 -0.89 116.94 119.17 2rfl h PHE 27 Ca 0.36 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.91 2rfl h PHE 27 Cb 0.23 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.90 2rfl h PHE 27 CO -0.05 -0.32 0.00 -0.25 -2.23 0.00 0.00 178.31 175.45 2rfl n ASP 28 N -5.25 0.43 -4.78 0.41 8.00 -0.86 -2.80 116.55 111.70 2rfl n ASP 28 Ca 0.29 -1.86 -0.37 0.00 0.71 0.00 0.00 54.79 53.56 2rfl n ASP 28 Cb 0.93 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.96 2rfl n ASP 28 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2rfl s ARG 29 N -1.91 4.01 0.50 -1.24 0.52 -0.34 -4.91 118.95 115.58 2rfl s ARG 29 Ca 0.12 1.66 0.09 0.00 -0.52 0.00 0.00 55.73 57.08 2rfl s ARG 29 Cb 0.06 -2.52 0.05 0.00 0.52 0.00 0.00 34.95 33.05 2rfl s ARG 29 CO 0.09 -0.31 0.67 0.20 0.02 0.00 0.00 175.30 175.97 2rfl s GLY 30 N -1.41 1.86 0.12 -3.53 0.00 -1.26 -3.01 107.32 100.08 2rfl s GLY 30 Ca 0.59 -1.91 -0.30 0.00 0.00 0.00 0.00 44.72 43.10 2rfl s GLY 30 CO 0.32 -1.61 1.02 1.08 0.00 0.00 0.00 173.10 173.91 2rfl s LEU 31 N -4.50 4.48 0.00 0.66 1.43 -1.26 -1.51 118.68 117.98 2rfl s LEU 31 Ca 0.58 1.89 -0.11 0.00 -1.03 0.00 0.00 54.13 55.45 2rfl s LEU 31 Cb -0.07 -3.59 0.16 0.00 0.03 0.00 0.00 46.19 42.71 2rfl s LEU 31 CO 0.36 -0.15 0.87 -0.46 0.23 0.00 0.00 176.35 177.20 2rfl n ASN 32 N 2.80 -0.14 0.25 2.29 6.94 -1.09 -4.75 115.26 121.56 2rfl n ASN 32 Ca 0.03 -1.28 -0.16 0.00 -0.02 0.00 0.00 54.58 53.15 2rfl n ASN 32 Cb 0.48 -0.68 -0.08 0.00 -2.36 0.00 0.00 39.78 37.14 2rfl n ASN 32 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 2rfl h GLU 33 N 0.00 -0.66 -0.72 -3.83 4.39 -1.97 0.39 114.58 112.19 2rfl h GLU 33 Ca -0.29 0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.45 2rfl h GLU 33 Cb 0.80 0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.57 2rfl h GLU 33 CO 0.20 -0.44 0.41 0.00 -1.16 0.00 0.00 179.01 178.02 2rfl h ALA 34 N -0.17 0.92 -0.38 3.43 0.00 -1.96 -0.56 119.26 120.53 2rfl h ALA 34 Ca -0.04 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.85 2rfl h ALA 34 Cb 0.57 -0.29 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 2rfl h ALA 34 CO 0.03 0.41 -0.15 0.78 0.00 0.00 0.00 179.25 180.32 2rfl h GLY 35 N 0.98 0.17 0.50 0.00 0.00 -1.69 -0.88 103.07 102.16 2rfl h GLY 35 Ca 0.25 0.19 0.11 0.00 0.00 0.00 0.00 47.33 47.89 2rfl h GLY 35 CO -0.04 -0.18 0.64 0.74 0.00 0.00 0.00 176.54 177.70 2rfl h PHE 36 N -0.07 1.15 -0.11 5.60 0.04 0.45 -3.06 116.94 120.94 2rfl h PHE 36 Ca 0.19 0.03 -0.15 0.00 2.80 0.00 0.00 57.97 60.84 2rfl h PHE 36 Cb 0.36 -0.37 0.01 0.00 2.20 0.00 0.00 35.95 38.15 2rfl h PHE 36 CO -0.39 0.47 -0.52 0.00 -0.60 0.00 0.00 178.31 177.28 2rfl h ALA 37 N 1.53 0.21 -0.29 2.45 0.00 -0.61 -3.07 119.26 119.49 2rfl h ALA 37 Ca 0.49 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2rfl h ALA 37 Cb 0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2rfl h ALA 37 CO -0.25 0.41 0.17 0.93 0.00 0.00 0.00 179.25 180.50 2rfl h GLU 38 N 0.16 0.40 -0.58 0.00 5.08 -1.20 -0.46 114.58 117.97 2rfl h GLU 38 Ca -0.03 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 2rfl h GLU 38 Cb 1.16 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 2rfl h GLU 38 CO 0.11 0.33 0.08 0.00 -1.00 0.00 0.00 179.01 178.53 2rfl h ALA 39 N 1.05 1.05 0.18 3.43 0.00 -1.62 0.19 119.26 123.54 2rfl h ALA 39 Ca 0.10 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2rfl h ALA 39 Cb 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2rfl h ALA 39 CO -0.02 0.61 -0.12 1.49 0.00 0.00 0.00 179.25 181.21 2rfl h GLU 40 N 0.89 -0.28 -0.39 0.00 4.81 -1.40 0.06 114.58 118.25 2rfl h GLU 40 Ca 0.18 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.50 2rfl h GLU 40 Cb 0.41 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.78 2rfl h GLU 40 CO 0.01 -0.19 -0.03 0.82 -0.73 0.00 0.00 179.01 178.89 2rfl h ILE 41 N -0.30 0.67 0.11 2.32 5.03 -0.37 0.03 117.51 125.01 2rfl h ILE 41 Ca -0.01 -0.02 -0.01 0.00 -0.12 0.00 0.00 64.86 64.70 2rfl h ILE 41 Cb 0.25 0.60 0.00 0.00 -3.03 0.00 0.00 36.82 34.64 2rfl h ILE 41 CO 0.01 0.01 -0.05 0.40 -0.68 0.00 0.00 178.15 177.83 2rfl h ILE 42 N 0.07 1.09 -0.88 -0.67 1.08 -0.67 -0.73 117.51 116.80 2rfl h ILE 42 Ca 0.19 -1.06 0.10 0.00 -0.39 0.00 0.00 64.86 63.70 2rfl h ILE 42 Cb 0.28 1.72 -0.12 0.00 -3.07 0.00 0.00 36.82 35.64 2rfl h ILE 42 CO -0.35 0.24 -0.47 0.00 -0.69 0.00 0.00 178.15 176.88 2rfl n ALA 43 N -2.45 -0.43 -0.27 1.87 0.00 0.00 -1.46 120.51 117.77 2rfl n ALA 43 Ca -0.08 0.79 0.04 0.00 0.00 0.00 0.00 53.44 54.18 2rfl n ALA 43 Cb 0.26 -0.20 0.18 0.00 0.00 0.00 0.00 19.45 19.69 2rfl n ALA 43 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2rfl h ASP 44 N 0.00 0.51 -0.85 0.00 3.32 -0.76 0.20 116.42 118.85 2rfl h ASP 44 Ca 0.19 0.07 0.09 0.00 0.02 0.00 0.00 57.03 57.40 2rfl h ASP 44 Cb 0.41 -0.01 -0.06 0.00 0.22 0.00 0.00 39.33 39.89 2rfl h ASP 44 CO -0.84 0.26 0.55 0.25 -1.72 0.00 0.00 179.24 177.74 2rfl h LEU 45 N 0.63 0.77 0.56 1.55 5.85 -0.55 -3.08 115.31 121.05 2rfl h LEU 45 Ca 0.41 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 59.12 2rfl h LEU 45 Cb 0.50 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.38 2rfl h LEU 45 CO -0.31 0.47 -0.27 0.00 -0.34 0.00 0.00 178.44 177.99 2rfl h ALA 46 N 1.56 -0.85 0.00 1.25 0.00 0.20 -2.10 119.26 119.32 2rfl h ALA 46 Ca 0.38 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2rfl h ALA 46 Cb 0.36 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2rfl h ALA 46 CO -0.15 -0.80 0.00 0.00 0.00 0.00 0.00 179.25 178.30 2rfl n ALA 47 N -2.61 1.29 -0.06 0.00 0.00 -1.11 0.16 120.51 118.18 2rfl n ALA 47 Ca -0.09 -0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.16 2rfl n ALA 47 Cb 0.30 -1.02 -0.13 0.00 0.00 0.00 0.00 19.45 18.61 2rfl n ALA 47 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2rfl h ASP 48 N 0.00 0.09 0.46 0.00 3.58 -1.34 -3.16 116.42 116.06 2rfl h ASP 48 Ca 0.00 -0.80 0.00 0.00 0.42 0.00 0.00 57.03 56.65 2rfl h ASP 48 Cb 0.01 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.03 2rfl h ASP 48 CO 0.00 1.29 0.00 0.54 -2.88 0.00 0.00 179.24 178.19 2rfl n ARG 49 N -4.42 0.32 -2.46 0.28 3.00 -0.27 -4.89 116.66 108.23 2rfl n ARG 49 Ca -0.20 0.06 -0.11 0.00 -0.01 0.00 0.00 57.85 57.60 2rfl n ARG 49 Cb 0.63 -1.50 0.01 0.00 0.00 0.00 0.00 32.46 31.60 2rfl n ARG 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2rfl n ARG 50 N -1.30 -1.80 -1.31 5.56 5.12 0.12 -4.92 116.66 118.14 2rfl n ARG 50 Ca 0.11 0.47 -0.37 0.00 -1.93 0.00 0.00 57.85 56.12 2rfl n ARG 50 Cb 0.19 -4.43 -0.02 0.00 -1.16 0.00 0.00 32.46 27.04 2rfl n ARG 50 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2rfl n TYR 51 N -3.92 2.48 -3.24 -1.55 4.01 0.32 -4.92 117.16 110.34 2rfl n TYR 51 Ca -0.08 -2.85 -0.40 0.00 -0.16 0.00 0.00 57.90 54.41 2rfl n TYR 51 Cb 0.57 -2.35 -0.08 0.00 -0.31 0.00 0.00 39.34 37.17 2rfl n TYR 51 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2rfl s ARG 52 N 2.71 4.07 0.12 -0.72 3.52 -1.26 -4.66 118.95 122.73 2rfl s ARG 52 Ca 0.60 0.31 -0.11 0.00 -0.13 0.00 0.00 55.73 56.40 2rfl s ARG 52 Cb 0.16 -3.65 -0.06 0.00 -1.56 0.00 0.00 34.95 29.84 2rfl s ARG 52 CO -0.05 -0.34 0.47 -1.25 -0.81 0.00 0.00 175.30 173.31 2rfl s PRO 53 N 2.28 3.84 0.08 5.12 0.05 -1.26 -4.96 135.00 140.14 2rfl s PRO 53 Ca 0.21 0.29 -0.18 0.00 0.05 0.00 0.00 61.00 61.36 2rfl s PRO 53 Cb -0.16 -2.93 -0.10 0.00 0.05 0.00 0.00 34.50 31.37 2rfl s PRO 53 CO 0.09 0.50 1.46 -0.44 0.05 0.00 0.00 177.00 178.66 2rfl h ASP 54 N 3.49 0.46 -3.55 6.66 3.32 -1.78 -3.44 116.42 121.59 2rfl h ASP 54 Ca -0.48 -0.37 -0.58 0.00 0.02 0.00 0.00 57.03 55.61 2rfl h ASP 54 Cb 1.19 -0.13 -0.33 0.00 0.22 0.00 0.00 39.33 40.29 2rfl h ASP 54 CO 0.67 0.73 -0.84 -0.22 -1.72 0.00 0.00 179.24 177.86 2rfl s LEU 55 N -9.32 1.86 -0.25 1.55 2.96 -1.14 -2.16 118.68 112.18 2rfl s LEU 55 Ca -0.14 -0.39 -0.05 0.00 -0.22 0.00 0.00 54.13 53.33 2rfl s LEU 55 Cb 0.07 -1.05 -0.01 0.00 0.50 0.00 0.00 46.19 45.71 2rfl s LEU 55 CO 0.76 0.11 0.02 -0.63 -1.32 0.00 0.00 176.35 175.29 2rfl s ILE 56 N 0.37 3.77 -0.25 6.68 1.01 0.20 -4.42 121.20 128.57 2rfl s ILE 56 Ca -0.12 -0.46 -0.08 0.00 0.00 0.00 0.00 60.65 59.99 2rfl s ILE 56 Cb -0.15 -2.79 -0.03 0.00 0.01 0.00 0.00 42.46 39.50 2rfl s ILE 56 CO 0.05 0.31 0.08 -0.76 0.00 0.00 0.00 174.94 174.62 2rfl s LEU 57 N 1.52 3.55 0.04 2.97 1.43 -1.26 -0.62 118.68 126.30 2rfl s LEU 57 Ca 0.05 -0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.04 2rfl s LEU 57 Cb -0.15 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 2rfl s LEU 57 CO 0.00 -0.01 -0.12 -0.55 0.23 0.00 0.00 176.35 175.90 2rfl s SER 58 N 1.50 1.36 0.77 2.29 0.15 -0.59 0.98 113.70 120.15 2rfl s SER 58 Ca 0.06 -0.49 -0.16 0.00 0.70 0.00 0.00 55.95 56.07 2rfl s SER 58 Cb -0.15 -0.05 -0.03 0.00 -1.71 0.00 0.00 66.02 64.08 2rfl s SER 58 CO 0.04 -0.05 0.49 -1.20 1.20 0.00 0.00 173.24 173.72 2rfl n SER 59 N 1.73 -1.42 0.02 5.45 7.64 0.10 -1.93 113.62 125.21 2rfl n SER 59 Ca -0.20 0.53 0.13 0.00 1.01 0.00 0.00 58.87 60.35 2rfl n SER 59 Cb 0.55 -1.21 0.42 0.00 -1.01 0.00 0.00 64.21 62.96 2rfl n SER 59 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2rfl n THR 60 N -2.63 0.13 -1.74 0.44 -2.24 -1.25 -4.16 114.28 102.84 2rfl n THR 60 Ca 0.09 -0.08 -0.42 0.00 -2.27 0.00 0.00 64.05 61.38 2rfl n THR 60 Cb 0.51 -0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 68.48 2rfl n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2rfl s ALA 61 N -3.04 3.92 0.23 6.98 0.00 -1.26 -4.64 121.76 123.95 2rfl s ALA 61 Ca 0.12 1.58 -0.12 0.00 0.00 0.00 0.00 51.96 53.53 2rfl s ALA 61 Cb 0.17 -3.69 0.30 0.00 0.00 0.00 0.00 23.12 19.90 2rfl s ALA 61 CO 0.62 -0.93 1.42 0.00 0.00 0.00 0.00 175.76 176.87 2rfl n ALA 62 N 3.84 0.02 0.25 0.00 0.00 -1.12 0.10 120.51 123.60 2rfl n ALA 62 Ca 0.15 0.95 0.14 0.00 0.00 0.00 0.00 53.44 54.68 2rfl n ALA 62 Cb 0.35 -0.49 0.77 0.00 0.00 0.00 0.00 19.45 20.09 2rfl n ALA 62 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2rfl h ARG 63 N 0.00 0.00 0.07 0.00 0.11 -1.76 0.17 114.38 112.98 2rfl h ARG 63 Ca 0.37 0.00 -0.38 0.00 0.10 0.00 0.00 59.98 60.07 2rfl h ARG 63 Cb 0.59 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.63 2rfl h ARG 63 CO -0.92 0.00 -2.20 0.00 0.10 0.00 0.00 179.97 176.95 2rfl h ARG 65 N 0.02 -0.26 -0.33 0.00 3.08 0.35 -0.21 114.38 117.03 2rfl h ARG 65 Ca -0.49 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.54 2rfl h ARG 65 Cb 1.97 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 32.06 2rfl h ARG 65 CO 0.01 -0.17 0.07 1.96 -1.07 0.00 0.00 179.97 180.76 2rfl h GLN 66 N -0.27 0.53 -0.47 0.04 4.20 -1.05 -0.97 115.11 117.12 2rfl h GLN 66 Ca 0.08 -0.13 0.09 0.00 0.06 0.00 0.00 58.65 58.75 2rfl h GLN 66 Cb 0.38 -0.07 -0.10 0.00 0.30 0.00 0.00 27.48 28.00 2rfl h GLN 66 CO -0.23 0.60 -0.32 1.15 -0.67 0.00 0.00 178.83 179.36 2rfl h THR 67 N 0.37 0.22 -0.42 -0.54 2.02 -1.33 -2.21 112.91 111.01 2rfl h THR 67 Ca 0.10 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.32 2rfl h THR 67 Cb 0.31 0.22 -0.04 0.00 -1.74 0.00 0.00 68.15 66.91 2rfl h THR 67 CO 0.00 0.00 0.19 0.74 0.37 0.00 0.00 175.52 176.83 2rfl h THR 68 N -0.21 0.94 -1.07 3.16 2.02 -0.54 -1.12 112.91 116.09 2rfl h THR 68 Ca 0.20 -0.14 0.30 0.00 0.77 0.00 0.00 66.41 67.54 2rfl h THR 68 Cb 0.54 0.51 -0.06 0.00 -1.74 0.00 0.00 68.15 67.40 2rfl h THR 68 CO -0.59 0.07 0.75 1.56 0.37 0.00 0.00 175.52 177.68 2rfl h GLN 69 N 0.39 0.10 -0.08 6.66 4.20 -0.68 -0.82 115.11 124.88 2rfl h GLN 69 Ca 0.19 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 2rfl h GLN 69 Cb 0.12 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 2rfl h GLN 69 CO -0.15 0.07 0.04 0.00 -0.67 0.00 0.00 178.83 178.12 2rfl h ALA 70 N 1.50 0.11 -0.63 3.87 0.00 -0.61 -3.03 119.26 120.47 2rfl h ALA 70 Ca 0.53 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.44 2rfl h ALA 70 Cb 1.91 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.61 2rfl h ALA 70 CO -0.08 -0.33 0.32 -1.49 0.00 0.00 0.00 179.25 177.68 2rfl h TRP 71 N 0.01 0.59 -0.99 0.00 4.06 -1.22 -1.37 115.95 117.04 2rfl h TRP 71 Ca 0.03 0.03 0.24 0.00 2.06 0.00 0.00 58.89 61.24 2rfl h TRP 71 Cb 0.12 -0.17 -0.08 0.00 -1.00 0.00 0.00 29.16 28.03 2rfl h TRP 71 CO -0.03 0.26 0.64 1.96 -3.56 0.00 0.00 178.44 177.71 2rfl h GLN 72 N 0.60 0.41 0.13 0.49 4.20 -1.48 -2.22 115.11 117.22 2rfl h GLN 72 Ca 0.29 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 2rfl h GLN 72 Cb 0.23 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2rfl h GLN 72 CO -0.21 0.27 -0.06 -0.09 -0.67 0.00 0.00 178.83 178.07 2rfl h ARG 73 N 0.42 -0.16 -0.65 1.46 9.65 -1.16 0.99 114.38 124.93 2rfl h ARG 73 Ca 0.54 0.01 0.14 0.00 -1.10 0.00 0.00 59.98 59.58 2rfl h ARG 73 Cb 1.34 0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.92 2rfl h ARG 73 CO -0.25 0.31 0.45 0.00 2.80 0.00 0.00 179.97 183.28 2rfl h ALA 74 N -0.11 2.23 0.00 2.80 0.00 -1.03 -3.14 119.26 120.02 2rfl h ALA 74 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2rfl h ALA 74 Cb 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2rfl h ALA 74 CO 0.03 -0.41 -1.09 1.19 0.00 0.00 0.00 179.25 178.97 2rfl n PHE 75 N -4.44 0.00 -3.13 0.00 3.01 -0.86 -4.93 117.46 107.11 2rfl n PHE 75 Ca 0.12 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.40 2rfl n PHE 75 Cb 0.53 -0.10 0.02 0.00 -0.01 0.00 0.00 39.48 39.92 2rfl n PHE 75 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 2rfl s ASN 76 N -2.43 5.41 0.00 4.37 2.47 0.34 -5.06 114.94 120.04 2rfl s ASN 76 Ca -0.01 -0.60 0.00 0.00 0.42 0.00 0.00 52.86 52.67 2rfl s ASN 76 Cb 0.03 -0.39 0.00 0.00 -1.45 0.00 0.00 41.25 39.45 2rfl s ASN 76 CO 0.21 -0.89 0.00 -0.38 -3.72 0.00 0.00 177.10 172.32 2rfl n ILE 79 N -1.89 0.00 -2.17 -5.21 5.41 -1.26 -4.94 119.36 109.29 2rfl n ILE 79 Ca 0.09 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.42 2rfl n ILE 79 Cb 0.60 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.50 2rfl n ILE 79 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 2rfl s ASP 80 N 0.00 6.81 -0.04 4.38 1.01 -0.92 -4.93 116.67 122.98 2rfl s ASP 80 Ca 0.00 2.20 0.02 0.00 0.71 0.00 0.00 52.55 55.48 2rfl s ASP 80 Cb 0.00 -2.56 0.01 0.00 1.01 0.00 0.00 42.92 41.38 2rfl s ASP 80 CO 0.00 -0.73 -0.07 0.27 0.21 0.00 0.00 175.17 174.84 2rfl s ILE 81 N 2.23 0.71 -0.02 0.77 -0.00 -1.26 0.61 121.20 124.24 2rfl s ILE 81 Ca 0.65 -0.27 0.05 0.00 -0.00 0.00 0.00 60.65 61.08 2rfl s ILE 81 Cb -0.33 -0.67 -0.01 0.00 -0.00 0.00 0.00 42.46 41.45 2rfl s ILE 81 CO 0.28 0.24 -0.15 0.68 -0.00 0.00 0.00 174.94 175.99 2rfl s VAL 82 N 0.53 1.20 -0.16 8.37 -7.23 0.21 -4.97 120.40 118.35 2rfl s VAL 82 Ca -0.08 -0.64 -0.05 0.00 -1.81 0.00 0.00 61.98 59.40 2rfl s VAL 82 Cb -0.12 -1.01 -0.03 0.00 0.56 0.00 0.00 36.38 35.78 2rfl s VAL 82 CO 0.01 0.34 0.00 -0.31 -0.31 0.00 0.00 175.10 174.83 2rfl s TYR 83 N -0.28 3.12 -0.28 2.82 2.02 -1.26 -1.54 117.35 121.95 2rfl s TYR 83 Ca 0.04 -0.11 -0.03 0.00 -0.37 0.00 0.00 57.07 56.60 2rfl s TYR 83 Cb -0.07 -1.98 0.09 0.00 -0.40 0.00 0.00 41.96 39.60 2rfl s TYR 83 CO -0.00 0.09 0.11 0.42 -1.57 0.00 0.00 175.55 174.59 2rfl s ILE 84 N 0.23 0.30 0.35 2.71 1.01 -0.81 -4.92 121.20 120.06 2rfl s ILE 84 Ca 0.00 -0.90 0.08 0.00 0.00 0.00 0.00 60.65 59.84 2rfl s ILE 84 Cb -0.13 -1.17 0.32 0.00 0.01 0.00 0.00 42.46 41.48 2rfl s ILE 84 CO 0.02 -0.62 1.87 0.44 0.00 0.00 0.00 174.94 176.64 2rfl h ASP 85 N 8.29 0.68 0.00 3.58 3.32 -1.93 -3.31 116.42 127.05 2rfl h ASP 85 Ca -0.17 0.04 -0.24 0.00 0.02 0.00 0.00 57.03 56.68 2rfl h ASP 85 Cb 1.03 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.49 2rfl h ASP 85 CO 0.43 0.34 1.74 1.21 -1.72 0.00 0.00 179.24 181.24 2rfl n GLU 86 N -4.57 1.45 0.00 3.56 4.07 -1.26 -4.70 120.64 119.19 2rfl n GLU 86 Ca 0.17 -1.05 0.00 0.00 -0.06 0.00 0.00 57.16 56.22 2rfl n GLU 86 Cb 0.46 -2.20 0.00 0.00 -0.06 0.00 0.00 31.44 29.64 2rfl n GLU 86 CO 0.00 0.00 0.00 0.98 -0.06 0.00 0.00 177.13 178.05 2rfl n TYR 88 N 3.99 0.00 -3.72 4.31 9.36 -1.26 -4.22 117.16 125.62 2rfl n TYR 88 Ca 0.31 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 61.20 2rfl n TYR 88 Cb 0.17 0.00 0.04 0.00 -0.63 0.00 0.00 39.34 38.92 2rfl n TYR 88 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2rfl n ASN 89 N 0.01 -5.26 -4.77 2.98 5.15 -1.26 -4.89 115.26 107.22 2rfl n ASN 89 Ca 0.00 -1.03 -0.39 0.00 -0.60 0.00 0.00 54.58 52.57 2rfl n ASN 89 Cb 0.00 -3.16 -0.02 0.00 -0.53 0.00 0.00 39.78 36.07 2rfl n ASN 89 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2rfl s ALA 90 N -3.44 3.19 -0.16 5.20 0.00 -1.26 -4.92 121.76 120.38 2rfl s ALA 90 Ca 0.45 1.00 0.28 0.00 0.00 0.00 0.00 51.96 53.70 2rfl s ALA 90 Cb -0.17 -3.39 1.26 0.00 0.00 0.00 0.00 23.12 20.81 2rfl s ALA 90 CO 0.87 -0.54 1.85 0.07 0.00 0.00 0.00 175.76 178.02 2rfl h ARG 91 N 2.75 0.00 -6.09 0.00 0.11 -1.90 -3.46 114.38 105.79 2rfl h ARG 91 Ca -0.49 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.06 2rfl h ARG 91 Cb 1.23 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.28 2rfl h ARG 91 CO 0.63 0.00 -0.47 -1.54 0.10 0.00 0.00 179.97 178.68 2rfl s SER 92 N -4.75 6.22 0.44 0.08 1.04 -1.26 -4.98 113.70 110.49 2rfl s SER 92 Ca 0.02 0.11 0.24 0.00 0.48 0.00 0.00 55.95 56.80 2rfl s SER 92 Cb 0.09 -1.84 0.57 0.00 0.10 0.00 0.00 66.02 64.94 2rfl s SER 92 CO 0.42 0.04 1.69 1.05 0.98 0.00 0.00 173.24 177.41 2rfl h GLU 93 N 2.04 0.00 -4.87 4.02 4.11 -1.96 -3.47 114.58 114.45 2rfl h GLU 93 Ca -0.49 0.00 -0.41 0.00 0.07 0.00 0.00 59.36 58.53 2rfl h GLU 93 Cb 1.20 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.31 2rfl h GLU 93 CO 0.67 0.08 -0.56 0.95 0.07 0.00 0.00 179.01 180.22 2rfl s THR 94 N -3.31 0.31 -1.00 -1.06 -4.23 -1.26 -4.38 115.64 100.71 2rfl s THR 94 Ca 0.05 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.71 2rfl s THR 94 Cb 0.07 -2.51 0.49 0.00 1.34 0.00 0.00 72.50 71.88 2rfl s THR 94 CO 0.65 0.00 1.41 -1.22 -0.54 0.00 0.00 174.62 174.92 2rfl n TYR 95 N -0.57 0.85 -0.17 3.99 4.01 -1.26 -4.78 117.16 119.22 2rfl n TYR 95 Ca 0.01 -0.59 0.20 0.00 -0.16 0.00 0.00 57.90 57.36 2rfl n TYR 95 Cb 0.65 -0.12 0.57 0.00 -0.31 0.00 0.00 39.34 40.13 2rfl n TYR 95 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2rfl h LEU 96 N 2.78 0.28 -0.41 7.72 3.38 -1.95 -1.88 115.31 125.23 2rfl h LEU 96 Ca 0.00 0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 2rfl h LEU 96 Cb 1.05 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 2rfl h LEU 96 CO 0.09 0.12 -0.62 0.28 0.09 0.00 0.00 178.44 178.40 2rfl h SER 97 N 0.28 0.69 -0.91 -0.43 0.02 -2.00 -2.19 113.55 109.02 2rfl h SER 97 Ca 0.40 -0.40 0.06 0.00 -0.84 0.00 0.00 61.79 61.01 2rfl h SER 97 Cb 1.14 -0.20 -0.06 0.00 0.14 0.00 0.00 62.40 63.42 2rfl h SER 97 CO -0.11 1.14 0.59 -0.07 -1.14 0.00 0.00 176.83 177.25 2rfl h LEU 98 N 0.45 0.93 0.53 5.07 3.38 -1.71 -2.26 115.31 121.70 2rfl h LEU 98 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2rfl h LEU 98 Cb 1.20 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.76 2rfl h LEU 98 CO 0.12 0.60 -0.26 0.40 0.09 0.00 0.00 178.44 179.40 2rfl h ILE 99 N 1.06 0.00 -0.29 1.22 2.04 -1.40 -3.35 117.51 116.78 2rfl h ILE 99 Ca 0.38 -0.20 -0.08 0.00 1.00 0.00 0.00 64.86 65.97 2rfl h ILE 99 Cb 0.16 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.22 2rfl h ILE 99 CO -0.14 0.00 -0.15 0.00 0.00 0.00 0.00 178.15 177.86 2rfl h ALA 100 N -1.47 1.19 -1.35 1.87 0.00 -1.43 -2.58 119.26 115.50 2rfl h ALA 100 Ca -0.07 -0.29 0.39 0.00 0.00 0.00 0.00 54.91 54.94 2rfl h ALA 100 Cb 0.55 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 2rfl h ALA 100 CO 0.12 0.52 0.95 0.00 0.00 0.00 0.00 179.25 180.84 2rfl h ALA 101 N 1.37 3.15 -1.13 0.00 0.00 -1.55 -3.34 119.26 117.76 2rfl h ALA 101 Ca 0.08 -0.02 -0.74 0.00 0.00 0.00 0.00 54.91 54.23 2rfl h ALA 101 Cb 0.54 0.11 -0.15 0.00 0.00 0.00 0.00 17.79 18.28 2rfl h ALA 101 CO 0.03 -1.57 1.86 1.04 0.00 0.00 0.00 179.25 180.61 2rfl n GLN 102 N -4.22 3.48 0.26 0.00 1.13 -0.97 -4.82 117.38 112.23 2rfl n GLN 102 Ca 0.31 -3.58 0.13 0.00 -1.94 0.00 0.00 57.00 51.91 2rfl n GLN 102 Cb 1.39 -3.01 0.67 0.00 0.11 0.00 0.00 30.24 29.40 2rfl n GLN 102 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 2rfl h THR 103 N 4.15 0.45 -0.92 5.09 1.35 -1.71 -3.12 112.91 118.19 2rfl h THR 103 Ca 0.38 -0.68 -0.42 0.00 -0.55 0.00 0.00 66.41 65.14 2rfl h THR 103 Cb 0.72 1.48 -0.41 0.00 -1.73 0.00 0.00 68.15 68.21 2rfl h THR 103 CO 1.50 0.13 -1.00 -0.62 -0.25 0.00 0.00 175.52 175.28 2rfl n GLU 104 N -3.45 2.31 -4.38 4.72 1.02 -1.26 -4.31 120.64 115.29 2rfl n GLU 104 Ca -0.01 -3.79 -0.29 0.00 -0.02 0.00 0.00 57.16 53.05 2rfl n GLU 104 Cb 0.30 -1.77 -0.17 0.00 -0.02 0.00 0.00 31.44 29.78 2rfl n GLU 104 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2rfl s VAL 105 N -4.15 1.55 0.04 2.62 1.01 -1.18 -5.06 120.40 115.22 2rfl s VAL 105 Ca 0.37 -0.66 -0.22 0.00 0.00 0.00 0.00 61.98 61.47 2rfl s VAL 105 Cb 0.40 -1.42 -0.15 0.00 0.00 0.00 0.00 36.38 35.22 2rfl s VAL 105 CO -0.03 0.45 1.41 -0.61 0.00 0.00 0.00 175.10 176.31 2rfl h GLN 106 N 7.54 0.23 -4.94 2.72 4.15 -1.95 -3.29 115.11 119.58 2rfl h GLN 106 Ca -0.33 -0.09 -0.47 0.00 0.77 0.00 0.00 58.65 58.53 2rfl h GLN 106 Cb 1.17 -0.01 -0.30 0.00 0.21 0.00 0.00 27.48 28.54 2rfl h GLN 106 CO 0.50 0.55 -0.81 -1.54 -1.93 0.00 0.00 178.83 175.61 2rfl s SER 107 N -5.85 1.55 0.12 -0.69 1.04 -1.26 -0.42 113.70 108.19 2rfl s SER 107 Ca -0.14 -0.24 0.02 0.00 0.48 0.00 0.00 55.95 56.07 2rfl s SER 107 Cb 0.05 -0.35 -0.01 0.00 0.10 0.00 0.00 66.02 65.80 2rfl s SER 107 CO 0.72 0.11 0.09 0.55 0.98 0.00 0.00 173.24 175.69 2rfl n VAL 108 N 3.11 0.00 -3.65 5.02 3.14 -0.48 -2.00 118.33 123.48 2rfl n VAL 108 Ca -0.17 -0.85 -0.12 0.00 -2.96 0.00 0.00 64.34 60.24 2rfl n VAL 108 Cb 0.54 0.40 -0.08 0.00 -1.06 0.00 0.00 33.84 33.64 2rfl n VAL 108 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2rfl s LEU 110 N 0.00 -0.56 -0.34 6.55 1.43 -0.29 -0.67 118.68 124.79 2rfl s LEU 110 Ca 0.13 1.33 0.03 0.00 -1.03 0.00 0.00 54.13 54.59 2rfl s LEU 110 Cb 0.01 2.21 0.10 0.00 0.03 0.00 0.00 46.19 48.54 2rfl s LEU 110 CO 0.09 -0.23 0.06 -0.69 0.23 0.00 0.00 176.35 175.82 2rfl s VAL 111 N 0.70 2.03 0.00 -1.59 1.01 0.27 -2.06 120.40 120.76 2rfl s VAL 111 Ca -0.03 -2.20 0.00 0.00 0.00 0.00 0.00 61.98 59.75 2rfl s VAL 111 Cb -0.05 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.83 2rfl s VAL 111 CO -0.05 -0.62 0.00 0.61 0.00 0.00 0.00 175.10 175.04 2rfl n GLY 112 N 4.32 4.47 3.27 4.51 0.00 -1.16 -0.72 105.19 119.88 2rfl n GLY 112 Ca 0.03 -0.79 -0.20 0.00 0.00 0.00 0.00 46.02 45.07 2rfl n GLY 112 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2rfl s HIS 113 N 0.12 1.56 0.60 1.61 3.76 -1.26 -2.93 115.29 118.75 2rfl s HIS 113 Ca 0.00 -0.51 -0.18 0.00 -0.15 0.00 0.00 55.06 54.22 2rfl s HIS 113 Cb 0.00 -0.81 -0.03 0.00 1.11 0.00 0.00 32.58 32.85 2rfl s HIS 113 CO 0.00 0.20 1.19 -0.80 -0.85 0.00 0.00 174.74 174.48 2rfl s ASN 114 N -2.43 5.20 0.43 1.40 0.01 -1.26 -2.66 114.94 115.63 2rfl s ASN 114 Ca 0.10 2.33 0.28 0.00 -0.71 0.00 0.00 52.86 54.86 2rfl s ASN 114 Cb -0.06 -2.59 0.89 0.00 0.41 0.00 0.00 41.25 39.90 2rfl s ASN 114 CO 0.04 -1.58 1.79 1.55 -1.51 0.00 0.00 177.10 177.40 2rfl h PRO 115 N 0.80 0.00 -0.42 -0.60 0.14 -2.00 -3.50 132.00 126.43 2rfl h PRO 115 Ca -0.50 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.64 2rfl h PRO 115 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.43 2rfl h PRO 115 CO 0.55 0.00 0.00 2.41 0.14 0.00 0.00 178.00 181.10 2rfl n THR 116 N -2.87 0.00 0.00 1.56 -1.04 -1.09 -0.49 114.28 110.35 2rfl n THR 116 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 2rfl n THR 116 Cb 0.39 -0.08 0.00 0.00 -1.82 0.00 0.00 70.33 68.82 2rfl n THR 116 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2rfl n GLU 118 N 0.45 0.00 -0.27 -2.82 2.13 -1.26 -1.58 120.64 117.29 2rfl n GLU 118 Ca 0.00 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.77 2rfl n GLU 118 Cb 0.00 0.00 0.09 0.00 0.27 0.00 0.00 31.44 31.80 2rfl n GLU 118 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2rfl h ALA 119 N 0.00 1.09 -0.49 4.31 0.00 -1.05 -1.51 119.26 121.61 2rfl h ALA 119 Ca 0.00 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.74 2rfl h ALA 119 Cb 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 2rfl h ALA 119 CO 0.00 0.65 0.29 1.15 0.00 0.00 0.00 179.25 181.34 2rfl h THR 120 N 1.11 1.05 -0.43 0.00 2.02 -1.51 0.77 112.91 115.92 2rfl h THR 120 Ca 0.25 -0.20 -0.06 0.00 0.77 0.00 0.00 66.41 67.17 2rfl h THR 120 Cb 0.22 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 2rfl h THR 120 CO -0.02 0.11 0.02 0.25 0.37 0.00 0.00 175.52 176.25 2rfl h LEU 121 N 0.58 0.73 -0.21 2.58 5.85 -1.80 -2.99 115.31 120.06 2rfl h LEU 121 Ca 0.19 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.67 2rfl h LEU 121 Cb 0.01 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 2rfl h LEU 121 CO -0.09 0.84 -0.07 -0.08 -0.34 0.00 0.00 178.44 178.71 2rfl h GLU 122 N 0.59 -0.02 0.00 1.25 4.81 -1.03 -0.64 114.58 119.55 2rfl h GLU 122 Ca 0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 2rfl h GLU 122 Cb 0.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.84 2rfl h GLU 122 CO 0.02 -0.01 0.00 0.00 -0.73 0.00 0.00 179.01 178.28 2rfl n ALA 123 N -2.45 0.69 0.00 2.92 0.00 0.24 0.39 120.51 122.29 2rfl n ALA 123 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2rfl n ALA 123 Cb 0.14 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.10 2rfl n ALA 123 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2rfl n ILE 125 N -0.14 0.00 0.00 0.00 -5.35 -0.25 -5.08 119.36 108.54 2rfl n ILE 125 Ca 0.00 0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.61 2rfl n ILE 125 Cb 0.00 -0.44 0.00 0.00 -1.74 0.00 0.00 39.64 37.46 2rfl n ILE 125 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2rfl n GLY 126 N -0.28 0.04 0.33 3.28 0.00 0.16 -4.30 105.19 104.42 2rfl n GLY 126 Ca 0.00 -1.64 -0.03 0.00 0.00 0.00 0.00 46.02 44.34 2rfl n GLY 126 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2rfl h GLU 127 N 0.00 1.12 -0.63 1.61 4.11 -1.95 -2.06 114.58 116.78 2rfl h GLU 127 Ca 0.00 -0.07 0.02 0.00 0.07 0.00 0.00 59.36 59.38 2rfl h GLU 127 Cb 0.00 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 28.96 2rfl h GLU 127 CO 0.00 0.74 0.40 -0.44 0.07 0.00 0.00 179.01 179.78 2rfl h ASP 128 N 1.15 0.66 -0.01 3.06 3.32 -1.97 0.43 116.42 123.07 2rfl h ASP 128 Ca 0.32 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.22 2rfl h ASP 128 Cb -0.12 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.29 2rfl h ASP 128 CO -0.07 0.47 -0.55 -0.07 -1.72 0.00 0.00 179.24 177.30 2rfl h LEU 129 N 0.79 0.49 -0.89 1.55 3.38 -1.74 -2.34 115.31 116.56 2rfl h LEU 129 Ca 0.24 -0.76 0.08 0.00 0.09 0.00 0.00 57.88 57.54 2rfl h LEU 129 Cb -0.02 -0.15 -0.11 0.00 0.09 0.00 0.00 40.66 40.47 2rfl h LEU 129 CO -0.08 1.19 -0.56 0.25 0.09 0.00 0.00 178.44 179.32 2rfl h LEU 130 N -0.15 -2.05 -0.44 1.67 7.12 -1.26 -0.23 115.31 119.97 2rfl h LEU 130 Ca -0.07 0.31 0.09 0.00 0.13 0.00 0.00 57.88 58.34 2rfl h LEU 130 Cb 1.27 0.90 -0.10 0.00 -0.53 0.00 0.00 40.66 42.20 2rfl h LEU 130 CO 0.11 -0.24 -0.25 0.45 -0.13 0.00 0.00 178.44 178.37 2rfl h HIS 131 N -0.05 -0.66 0.00 1.25 3.86 -0.90 0.31 115.15 118.95 2rfl h HIS 131 Ca 0.14 0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 2rfl h HIS 131 Cb 0.42 0.36 -0.00 0.00 1.06 0.00 0.00 27.41 29.25 2rfl h HIS 131 CO -0.99 -0.33 -0.02 0.00 0.86 0.00 0.00 177.93 177.45 2rfl h ALA 132 N 1.05 1.71 0.10 2.45 0.00 -0.86 -2.86 119.26 120.84 2rfl h ALA 132 Ca 0.20 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.75 2rfl h ALA 132 Cb 0.49 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2rfl h ALA 132 CO -0.54 0.03 -1.86 0.00 0.00 0.00 0.00 179.25 176.88 2rfl n ALA 133 N -2.42 0.88 -3.77 0.00 0.00 -0.15 -4.75 120.51 110.29 2rfl n ALA 133 Ca -0.03 -0.58 -0.30 0.00 0.00 0.00 0.00 53.44 52.53 2rfl n ALA 133 Cb 0.11 -0.64 -0.14 0.00 0.00 0.00 0.00 19.45 18.78 2rfl n ALA 133 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2rfl s LEU 134 N -7.21 2.93 0.30 0.00 1.43 0.10 -4.97 118.68 111.26 2rfl s LEU 134 Ca -0.24 -2.31 -0.01 0.00 -1.03 0.00 0.00 54.13 50.54 2rfl s LEU 134 Cb 0.07 -1.10 0.46 0.00 0.03 0.00 0.00 46.19 45.64 2rfl s LEU 134 CO 0.73 -0.32 1.91 -0.65 0.23 0.00 0.00 176.35 178.25 2rfl h PRO 135 N 7.21 0.93 -0.37 1.29 0.11 -1.76 -3.23 132.00 136.19 2rfl h PRO 135 Ca -0.06 -0.11 -0.02 0.00 0.11 0.00 0.00 66.00 65.93 2rfl h PRO 135 Cb 0.96 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 2rfl h PRO 135 CO 0.50 0.70 0.01 -1.13 -0.21 0.00 0.00 178.00 177.87 2rfl n SER 136 N -4.36 4.37 0.00 -2.05 3.41 -1.26 -5.05 113.62 108.68 2rfl n SER 136 Ca 0.06 -3.04 0.00 0.00 -0.26 0.00 0.00 58.87 55.64 2rfl n SER 136 Cb 0.12 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 2rfl n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rfl n GLY 137 N -0.23 -2.28 3.41 5.00 0.00 -1.22 -4.86 105.19 105.02 2rfl n GLY 137 Ca 0.24 -1.80 -0.44 0.00 0.00 0.00 0.00 46.02 44.02 2rfl n GLY 137 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2rfl s PHE 138 N -0.26 2.96 0.89 1.61 2.19 -1.26 -4.85 117.98 119.27 2rfl s PHE 138 Ca 0.00 -0.76 -0.12 0.00 0.33 0.00 0.00 56.93 56.38 2rfl s PHE 138 Cb 0.00 -3.92 0.12 0.00 -1.31 0.00 0.00 43.02 37.91 2rfl s PHE 138 CO 0.00 -1.27 1.11 -1.25 1.83 0.00 0.00 175.22 175.64 2rfl s PRO 139 N 2.89 1.32 0.26 10.12 0.04 -1.26 -4.95 135.00 143.42 2rfl s PRO 139 Ca 0.14 0.52 -0.29 0.00 0.04 0.00 0.00 61.00 61.41 2rfl s PRO 139 Cb -0.21 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 2rfl s PRO 139 CO 0.09 -2.12 1.26 0.95 0.04 0.00 0.00 177.00 177.21 2rfl s THR 140 N -3.13 3.12 -1.24 1.26 -4.23 -1.26 -2.23 115.64 107.92 2rfl s THR 140 Ca 0.63 1.03 0.00 0.00 -1.18 0.00 0.00 61.69 62.17 2rfl s THR 140 Cb -0.16 -3.66 0.00 0.00 1.34 0.00 0.00 72.50 70.03 2rfl s THR 140 CO 0.55 0.20 0.00 -0.24 -0.54 0.00 0.00 174.62 174.59 2rfl n SER 141 N 1.71 -4.09 -4.72 3.99 2.88 0.18 -4.78 113.62 108.78 2rfl n SER 141 Ca 0.02 0.20 -0.42 0.00 -1.33 0.00 0.00 58.87 57.35 2rfl n SER 141 Cb 0.43 -3.53 -0.04 0.00 -0.75 0.00 0.00 64.21 60.32 2rfl n SER 141 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2rfl s GLY 142 N -2.06 2.89 -0.26 0.46 0.00 -0.95 -4.73 107.32 102.67 2rfl s GLY 142 Ca 0.00 0.62 0.02 0.00 0.00 0.00 0.00 44.72 45.36 2rfl s GLY 142 CO 0.00 1.63 -0.08 -2.27 0.00 0.00 0.00 173.10 172.38 2rfl s LEU 143 N 0.44 3.21 0.02 0.66 2.96 0.14 -2.14 118.68 123.97 2rfl s LEU 143 Ca 0.50 -1.37 -0.26 0.00 -0.22 0.00 0.00 54.13 52.79 2rfl s LEU 143 Cb -0.24 -1.42 -0.05 0.00 0.50 0.00 0.00 46.19 44.98 2rfl s LEU 143 CO 0.30 -0.22 0.79 0.00 -1.32 0.00 0.00 176.35 175.90 2rfl s ALA 144 N 1.19 3.33 -0.24 5.97 0.00 -0.39 -0.77 121.76 130.84 2rfl s ALA 144 Ca -0.07 0.30 -0.02 0.00 0.00 0.00 0.00 51.96 52.17 2rfl s ALA 144 Cb -0.20 -3.05 0.02 0.00 0.00 0.00 0.00 23.12 19.90 2rfl s ALA 144 CO -0.06 -0.01 -0.06 0.08 0.00 0.00 0.00 175.76 175.71 2rfl s VAL 145 N 0.24 2.93 0.01 0.00 1.01 -0.39 -1.04 120.40 123.16 2rfl s VAL 145 Ca 0.40 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.52 2rfl s VAL 145 Cb -0.20 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 2rfl s VAL 145 CO 0.23 0.24 -0.23 -0.76 0.00 0.00 0.00 175.10 174.58 2rfl s LEU 146 N 1.35 2.10 0.13 3.92 1.43 0.02 -1.11 118.68 126.52 2rfl s LEU 146 Ca 0.01 -0.48 0.05 0.00 -1.03 0.00 0.00 54.13 52.68 2rfl s LEU 146 Cb -0.16 -1.17 -0.04 0.00 0.03 0.00 0.00 46.19 44.85 2rfl s LEU 146 CO -0.05 0.25 -0.13 -1.81 0.23 0.00 0.00 176.35 174.85 2rfl s ASP 147 N -0.85 1.90 1.00 2.29 1.01 -0.28 -1.49 116.67 120.23 2rfl s ASP 147 Ca 0.09 -0.86 -0.15 0.00 0.71 0.00 0.00 52.55 52.34 2rfl s ASP 147 Cb -0.09 -0.05 0.19 0.00 1.01 0.00 0.00 42.92 43.98 2rfl s ASP 147 CO 0.00 -0.20 1.19 -1.10 0.21 0.00 0.00 175.17 175.27 2rfl s GLN 148 N -2.97 0.42 0.00 8.23 -0.21 -1.22 0.17 119.66 124.08 2rfl s GLN 148 Ca 0.11 -0.03 0.00 0.00 0.02 0.00 0.00 55.36 55.46 2rfl s GLN 148 Cb -0.03 -1.78 0.00 0.00 1.00 0.00 0.00 33.01 32.20 2rfl s GLN 148 CO 0.02 -2.62 0.00 0.09 -2.12 0.00 0.00 175.29 170.66 2rfl n ASN 157 N -4.00 0.00 -3.58 5.90 4.13 -1.26 -4.33 115.26 112.12 2rfl n ASN 157 Ca 0.11 0.00 -0.15 0.00 1.68 0.00 0.00 54.58 56.21 2rfl n ASN 157 Cb 0.59 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.77 2rfl n ASN 157 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2rfl s ARG 158 N 0.00 0.99 0.06 3.52 1.70 -1.26 -5.15 118.95 118.81 2rfl s ARG 158 Ca 0.00 -0.02 -0.30 0.00 -0.47 0.00 0.00 55.73 54.93 2rfl s ARG 158 Cb 0.00 0.46 -0.05 0.00 -0.57 0.00 0.00 34.95 34.79 2rfl s ARG 158 CO 0.00 -0.33 1.15 -1.58 -1.08 0.00 0.00 175.30 173.46 2rfl s TRP 159 N -1.76 3.49 -0.12 5.89 0.52 -1.26 -5.01 118.94 120.68 2rfl s TRP 159 Ca -0.09 1.40 -0.01 0.00 0.02 0.00 0.00 56.10 57.42 2rfl s TRP 159 Cb -0.01 -3.35 -0.02 0.00 -1.15 0.00 0.00 33.47 28.93 2rfl s TRP 159 CO 0.04 -0.99 -0.10 1.03 0.02 0.00 0.00 176.95 176.94 2rfl s ARG 160 N 0.95 3.34 0.19 4.98 1.81 0.44 -4.65 118.95 126.01 2rfl s ARG 160 Ca 0.57 -0.63 -0.30 0.00 -1.72 0.00 0.00 55.73 53.65 2rfl s ARG 160 Cb -0.28 -2.68 -0.08 0.00 -0.45 0.00 0.00 34.95 31.46 2rfl s ARG 160 CO 0.29 0.29 1.04 -1.17 -0.68 0.00 0.00 175.30 175.07 2rfl s LEU 161 N 0.17 4.53 0.00 2.53 2.96 -1.26 -1.13 118.68 126.48 2rfl s LEU 161 Ca -0.06 2.02 0.00 0.00 -0.22 0.00 0.00 54.13 55.87 2rfl s LEU 161 Cb -0.15 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.94 2rfl s LEU 161 CO 0.04 -0.10 0.00 -0.38 -1.32 0.00 0.00 176.35 174.60 2rfl n ILE 162 N 2.13 0.00 -3.57 6.68 2.08 -0.27 -4.95 119.36 121.45 2rfl n ILE 162 Ca 0.01 0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.22 2rfl n ILE 162 Cb 0.47 0.08 -0.05 0.00 -0.75 0.00 0.00 39.64 39.39 2rfl n ILE 162 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2rfl s ASP 163 N -1.73 -0.35 -0.02 4.38 -1.08 -1.18 -5.03 116.67 111.65 2rfl s ASP 163 Ca 0.00 0.34 0.01 0.00 -0.52 0.00 0.00 52.55 52.38 2rfl s ASP 163 Cb 0.00 0.29 0.02 0.00 -1.46 0.00 0.00 42.92 41.77 2rfl s ASP 163 CO 0.00 -0.35 -0.01 0.12 0.52 0.00 0.00 175.17 175.45 2rfl s PHE 164 N -1.30 0.33 -0.19 -5.34 2.19 -1.26 -1.26 117.98 111.15 2rfl s PHE 164 Ca -0.00 -0.03 -0.05 0.00 0.33 0.00 0.00 56.93 57.18 2rfl s PHE 164 Cb -0.01 -0.36 -0.03 0.00 -1.31 0.00 0.00 43.02 41.32 2rfl s PHE 164 CO 0.00 -0.10 0.00 -0.51 1.83 0.00 0.00 175.22 176.44 2rfl s LEU 165 N 0.72 3.30 0.10 6.12 1.43 0.05 -4.95 118.68 125.46 2rfl s LEU 165 Ca -0.07 -0.17 0.04 0.00 -1.03 0.00 0.00 54.13 52.90 2rfl s LEU 165 Cb -0.11 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 2rfl s LEU 165 CO -0.01 0.09 -0.11 0.00 0.23 0.00 0.00 176.35 176.54 2rfl s ALA 166 N 0.87 1.23 -2.18 4.21 0.00 -1.26 -0.69 121.76 123.94 2rfl s ALA 166 Ca 0.01 -1.22 0.31 0.00 0.00 0.00 0.00 51.96 51.05 2rfl s ALA 166 Cb -0.14 -0.00 1.59 0.00 0.00 0.00 0.00 23.12 24.57 2rfl s ALA 166 CO 0.02 0.01 2.05 -2.30 0.00 0.00 0.00 175.76 175.54