#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 3.43 0.40 0.66 0.08 -1.26 -4.21 117.98 117.08 2rfl s PHE 5 Ca 0.00 0.96 -0.25 0.00 0.12 0.00 0.00 56.93 57.76 2rfl s PHE 5 Cb 0.00 -2.34 -0.08 0.00 -0.57 0.00 0.00 43.02 40.02 2rfl s PHE 5 CO 0.00 0.13 1.18 -2.14 -0.10 0.00 0.00 175.22 174.29 2rfl s PRO 6 N -3.20 4.04 0.00 0.24 0.02 -1.22 -4.41 135.00 130.46 2rfl s PRO 6 Ca 0.49 1.87 0.23 0.00 0.02 0.00 0.00 61.00 63.61 2rfl s PRO 6 Cb -0.11 -2.68 0.13 0.00 0.02 0.00 0.00 34.50 31.87 2rfl s PRO 6 CO 0.24 -0.34 1.15 0.25 -0.33 0.00 0.00 177.00 177.96 2rfl n THR 7 N 0.07 0.01 -4.38 0.99 -2.24 0.23 -4.89 114.28 104.06 2rfl n THR 7 Ca 0.04 -0.02 -0.22 0.00 -2.27 0.00 0.00 64.05 61.59 2rfl n THR 7 Cb 0.46 0.59 -0.16 0.00 -2.10 0.00 0.00 70.33 69.12 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 -3.02 1.17 -0.07 -0.78 6.06 -1.01 -2.83 118.95 118.47 2rfl s ARG 8 Ca 0.09 -0.27 0.01 0.00 -2.50 0.00 0.00 55.73 53.06 2rfl s ARG 8 Cb 0.17 -1.05 0.02 0.00 0.06 0.00 0.00 34.95 34.15 2rfl s ARG 8 CO 0.79 0.01 -0.07 0.08 -2.50 0.00 0.00 175.30 173.61 2rfl s VAL 9 N 0.61 0.83 -0.09 7.11 1.01 0.77 -1.93 120.40 128.72 2rfl s VAL 9 Ca -0.10 -0.25 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 2rfl s VAL 9 Cb -0.13 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 2rfl s VAL 9 CO 0.02 0.31 -0.01 -0.31 0.00 0.00 0.00 175.10 175.11 2rfl s TYR 10 N 1.18 3.13 -0.17 5.22 1.51 -0.57 -0.87 117.35 126.78 2rfl s TYR 10 Ca -0.06 0.15 0.01 0.00 -1.01 0.00 0.00 57.07 56.16 2rfl s TYR 10 Cb -0.14 -1.80 0.02 0.00 -0.11 0.00 0.00 41.96 39.94 2rfl s TYR 10 CO -0.02 0.42 -0.17 -0.51 -1.11 0.00 0.00 175.55 174.16 2rfl s LEU 11 N -0.78 2.02 -0.21 -1.29 1.43 0.17 -2.10 118.68 117.92 2rfl s LEU 11 Ca 0.12 -0.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 2rfl s LEU 11 Cb -0.11 -1.37 0.03 0.00 0.03 0.00 0.00 46.19 44.76 2rfl s LEU 11 CO 0.02 -0.03 -0.14 -0.22 0.23 0.00 0.00 176.35 176.21 2rfl s LEU 12 N 1.36 2.68 0.42 1.79 2.96 0.15 -0.74 118.68 127.29 2rfl s LEU 12 Ca 0.04 -0.81 -0.24 0.00 -0.22 0.00 0.00 54.13 52.91 2rfl s LEU 12 Cb -0.13 -1.56 -0.09 0.00 0.50 0.00 0.00 46.19 44.91 2rfl s LEU 12 CO -0.12 -0.06 1.08 -0.60 -1.32 0.00 0.00 176.35 175.33 2rfl s ARG 13 N 1.28 4.05 0.75 1.98 3.52 -1.09 -1.59 118.95 127.86 2rfl s ARG 13 Ca 0.02 1.58 -0.13 0.00 -0.13 0.00 0.00 55.73 57.06 2rfl s ARG 13 Cb -0.15 -2.49 0.05 0.00 -1.56 0.00 0.00 34.95 30.79 2rfl s ARG 13 CO -0.09 -0.25 1.15 -3.38 -0.81 0.00 0.00 175.30 171.92 2rfl s HIS 14 N -1.64 2.22 1.21 5.12 -3.43 -1.18 -1.48 115.29 116.11 2rfl s HIS 14 Ca 0.59 1.61 -0.15 0.00 -0.80 0.00 0.00 55.06 56.32 2rfl s HIS 14 Cb -0.23 -3.30 0.30 0.00 -1.43 0.00 0.00 32.58 27.92 2rfl s HIS 14 CO 0.29 -2.26 1.01 0.00 -2.00 0.00 0.00 174.74 171.79 2rfl s ALA 15 N -2.35 -0.42 0.19 -1.38 0.00 -1.26 -1.43 121.76 115.11 2rfl s ALA 15 Ca 0.69 -0.37 -0.30 0.00 0.00 0.00 0.00 51.96 51.98 2rfl s ALA 15 Cb -0.24 -3.14 -0.08 0.00 0.00 0.00 0.00 23.12 19.66 2rfl s ALA 15 CO 0.48 -3.94 1.21 0.21 0.00 0.00 0.00 175.76 173.72 2rfl s LYS 16 N -4.68 4.48 0.00 0.00 2.20 -1.26 -4.80 119.74 115.67 2rfl s LYS 16 Ca 0.68 1.90 0.00 0.00 -0.36 0.00 0.00 55.97 58.19 2rfl s LYS 16 Cb -0.21 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 2rfl s LYS 16 CO 0.62 -0.11 0.00 0.00 -0.36 0.00 0.00 175.35 175.51 2rfl n ALA 17 N 2.50 0.00 -0.12 3.13 0.00 -1.26 -2.26 120.51 122.50 2rfl n ALA 17 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.25 2rfl n ALA 17 Cb 0.44 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.78 2rfl n ALA 17 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2rfl n ASP 26 N 0.00 1.97 0.08 0.00 2.03 -1.26 -4.34 116.55 115.03 2rfl n ASP 26 Ca 0.00 0.17 0.12 0.00 0.52 0.00 0.00 54.79 55.60 2rfl n ASP 26 Cb 0.00 -0.70 0.59 0.00 -0.72 0.00 0.00 41.12 40.29 2rfl n ASP 26 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2rfl h PHE 27 N -0.54 0.17 -0.16 -0.67 3.57 -2.01 -3.09 116.94 114.21 2rfl h PHE 27 Ca -0.59 0.00 0.00 0.00 3.53 0.00 0.00 57.97 60.92 2rfl h PHE 27 Cb 1.72 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 40.41 2rfl h PHE 27 CO -0.01 0.09 0.00 -0.25 -2.23 0.00 0.00 178.31 175.91 2rfl n ASP 28 N -4.47 2.09 -4.71 0.41 8.00 -1.26 -1.77 116.55 114.84 2rfl n ASP 28 Ca 0.04 -1.75 -0.42 0.00 0.71 0.00 0.00 54.79 53.37 2rfl n ASP 28 Cb 0.29 -0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 41.26 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 -1.80 4.32 0.83 -1.24 0.52 -1.17 -4.83 118.95 115.59 2rfl s ARG 29 Ca 0.34 2.01 -0.11 0.00 -0.52 0.00 0.00 55.73 57.45 2rfl s ARG 29 Cb 0.19 -3.38 0.13 0.00 0.52 0.00 0.00 34.95 32.41 2rfl s ARG 29 CO 0.29 -0.47 1.17 0.20 0.02 0.00 0.00 175.30 176.51 2rfl s GLY 30 N 1.40 1.71 0.02 -3.53 0.00 -1.26 -3.03 107.32 102.64 2rfl s GLY 30 Ca 0.64 -1.07 -0.27 0.00 0.00 0.00 0.00 44.72 44.02 2rfl s GLY 30 CO 0.29 -0.48 0.85 1.08 0.00 0.00 0.00 173.10 174.85 2rfl s LEU 31 N -5.57 4.41 0.00 0.66 1.43 -1.26 -4.44 118.68 113.90 2rfl s LEU 31 Ca 0.67 1.53 -0.07 0.00 -1.03 0.00 0.00 54.13 55.23 2rfl s LEU 31 Cb -0.07 -3.37 0.11 0.00 0.03 0.00 0.00 46.19 42.88 2rfl s LEU 31 CO 0.49 -0.11 0.34 -0.46 0.23 0.00 0.00 176.35 176.85 2rfl n ASN 32 N 3.30 -1.68 -0.28 2.29 2.04 -0.96 -4.54 115.26 115.43 2rfl n ASN 32 Ca 0.01 -0.62 0.05 0.00 -0.44 0.00 0.00 54.58 53.59 2rfl n ASN 32 Cb 0.50 -0.33 0.20 0.00 -2.53 0.00 0.00 39.78 37.62 2rfl n ASN 32 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 2rfl h GLU 33 N 0.00 0.61 -0.00 -3.83 4.11 -1.96 0.14 114.58 113.65 2rfl h GLU 33 Ca -0.13 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.26 2rfl h GLU 33 Cb 0.42 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2rfl h GLU 33 CO 0.09 0.40 -0.51 0.00 0.07 0.00 0.00 179.01 179.05 2rfl n ALA 34 N -2.43 3.61 0.36 1.06 0.00 -1.26 -2.77 120.51 119.10 2rfl n ALA 34 Ca 0.15 -0.40 -0.15 0.00 0.00 0.00 0.00 53.44 53.04 2rfl n ALA 34 Cb 0.38 -1.06 -0.07 0.00 0.00 0.00 0.00 19.45 18.69 2rfl n ALA 34 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2rfl h GLY 35 N 4.98 -0.99 0.84 0.00 0.00 -1.12 -1.88 103.07 104.90 2rfl h GLY 35 Ca 0.00 0.37 0.04 0.00 0.00 0.00 0.00 47.33 47.74 2rfl h GLY 35 CO 0.00 -0.36 0.54 0.74 0.00 0.00 0.00 176.54 177.46 2rfl h PHE 36 N -1.14 1.00 0.10 5.60 0.04 -1.53 -2.34 116.94 118.67 2rfl h PHE 36 Ca -0.10 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.70 2rfl h PHE 36 Cb 0.73 -0.33 -0.00 0.00 2.20 0.00 0.00 35.95 38.55 2rfl h PHE 36 CO 0.02 0.56 -0.06 0.00 -0.60 0.00 0.00 178.31 178.23 2rfl h ALA 37 N 1.36 -0.16 -0.19 2.45 0.00 -1.53 -2.74 119.26 118.45 2rfl h ALA 37 Ca 0.34 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 55.05 2rfl h ALA 37 Cb 0.05 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2rfl h ALA 37 CO -0.13 -0.59 -0.59 0.93 0.00 0.00 0.00 179.25 178.87 2rfl h GLU 38 N -0.17 0.63 0.00 0.00 5.08 -1.30 -2.90 114.58 115.92 2rfl h GLU 38 Ca -0.01 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2rfl h GLU 38 Cb 0.14 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2rfl h GLU 38 CO 0.01 1.03 0.00 0.00 -1.00 0.00 0.00 179.01 179.05 2rfl n ALA 39 N -2.54 -0.05 -0.22 3.43 0.00 -0.89 -1.26 120.51 118.99 2rfl n ALA 39 Ca -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.38 2rfl n ALA 39 Cb 0.63 0.41 0.04 0.00 0.00 0.00 0.00 19.45 20.54 2rfl n ALA 39 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2rfl h GLU 40 N 0.00 -0.07 -1.14 0.00 3.07 -1.49 0.28 114.58 115.23 2rfl h GLU 40 Ca 0.00 0.00 0.32 0.00 -0.50 0.00 0.00 59.36 59.19 2rfl h GLU 40 Cb 0.00 0.02 -0.09 0.00 -0.84 0.00 0.00 28.75 27.83 2rfl h GLU 40 CO 0.00 -0.05 0.75 0.82 -1.40 0.00 0.00 179.01 179.13 2rfl h ILE 41 N -0.08 0.40 0.00 3.13 5.03 -1.29 -1.68 117.51 123.02 2rfl h ILE 41 Ca 0.29 -0.09 -0.19 0.00 -0.12 0.00 0.00 64.86 64.75 2rfl h ILE 41 Cb 0.53 0.13 -0.03 0.00 -3.03 0.00 0.00 36.82 34.41 2rfl h ILE 41 CO -0.69 0.05 -1.36 0.40 -0.68 0.00 0.00 178.15 175.86 2rfl h ILE 42 N 0.25 0.69 -0.14 -0.67 1.08 0.90 -3.28 117.51 116.34 2rfl h ILE 42 Ca 0.65 -2.27 -0.17 0.00 -0.39 0.00 0.00 64.86 62.68 2rfl h ILE 42 Cb 1.91 2.21 0.01 0.00 -3.07 0.00 0.00 36.82 37.87 2rfl h ILE 42 CO -0.27 0.39 -0.57 0.00 -0.69 0.00 0.00 178.15 177.00 2rfl h ALA 43 N 1.31 0.26 -0.01 1.87 0.00 -0.64 -2.39 119.26 119.66 2rfl h ALA 43 Ca -0.17 -0.53 -0.26 0.00 0.00 0.00 0.00 54.91 53.96 2rfl h ALA 43 Cb 1.68 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.46 2rfl h ALA 43 CO 0.06 0.50 -1.01 -0.44 0.00 0.00 0.00 179.25 178.35 2rfl h ASP 44 N 0.31 0.87 -1.00 0.00 3.32 -1.50 -0.73 116.42 117.69 2rfl h ASP 44 Ca -0.03 -0.69 0.10 0.00 0.02 0.00 0.00 57.03 56.43 2rfl h ASP 44 Cb 1.20 -0.27 -0.08 0.00 0.22 0.00 0.00 39.33 40.41 2rfl h ASP 44 CO 0.12 1.49 0.64 0.25 -1.72 0.00 0.00 179.24 180.02 2rfl h LEU 45 N 0.39 0.97 -1.14 1.55 5.85 -1.68 0.53 115.31 121.78 2rfl h LEU 45 Ca -0.12 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.56 2rfl h LEU 45 Cb 1.66 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 2rfl h LEU 45 CO 0.20 0.56 -0.35 0.00 -0.34 0.00 0.00 178.44 178.51 2rfl h ALA 46 N 1.50 1.11 0.00 1.25 0.00 -0.87 -2.55 119.26 119.70 2rfl h ALA 46 Ca 0.47 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 2rfl h ALA 46 Cb 0.36 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2rfl h ALA 46 CO -0.23 0.44 -1.46 0.00 0.00 0.00 0.00 179.25 178.00 2rfl n ALA 47 N -2.33 2.29 -0.27 0.00 0.00 -0.33 -0.63 120.51 119.23 2rfl n ALA 47 Ca -0.01 -0.49 0.07 0.00 0.00 0.00 0.00 53.44 53.01 2rfl n ALA 47 Cb 0.45 -0.91 0.30 0.00 0.00 0.00 0.00 19.45 19.29 2rfl n ALA 47 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2rfl h ASP 48 N 0.00 0.80 0.04 0.00 5.19 0.07 -3.21 116.42 119.31 2rfl h ASP 48 Ca -0.10 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 2rfl h ASP 48 Cb 1.31 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.67 2rfl h ASP 48 CO 0.02 0.48 -0.09 0.54 -3.12 0.00 0.00 179.24 177.07 2rfl n ARG 49 N -4.51 1.56 -3.76 3.56 5.12 -0.97 -4.94 116.66 112.71 2rfl n ARG 49 Ca 0.14 -1.02 -0.27 0.00 -1.93 0.00 0.00 57.85 54.78 2rfl n ARG 49 Cb 0.28 -1.48 0.05 0.00 -1.16 0.00 0.00 32.46 30.15 2rfl n ARG 49 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2rfl n ARG 50 N 0.16 -6.48 -1.89 5.56 5.12 -1.09 -4.90 116.66 113.14 2rfl n ARG 50 Ca 0.16 0.70 -0.41 0.00 -1.93 0.00 0.00 57.85 56.37 2rfl n ARG 50 Cb 0.40 -5.64 -0.01 0.00 -1.16 0.00 0.00 32.46 26.05 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 -4.77 2.76 -3.25 -1.55 4.01 0.19 -4.94 117.16 109.61 2rfl n TYR 51 Ca -0.00 -2.90 -0.43 0.00 -0.16 0.00 0.00 57.90 54.41 2rfl n TYR 51 Cb 0.55 -2.11 -0.08 0.00 -0.31 0.00 0.00 39.34 37.40 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 0.55 3.13 0.33 -0.72 3.52 -1.26 -4.75 118.95 119.75 2rfl s ARG 52 Ca 0.53 -0.73 -0.27 0.00 -0.13 0.00 0.00 55.73 55.13 2rfl s ARG 52 Cb 0.16 -4.00 -0.09 0.00 -1.56 0.00 0.00 34.95 29.46 2rfl s ARG 52 CO -0.06 -0.96 1.12 -1.25 -0.81 0.00 0.00 175.30 173.34 2rfl s PRO 53 N 2.35 4.41 0.40 5.12 0.04 -1.26 -4.91 135.00 141.15 2rfl s PRO 53 Ca 0.14 1.79 0.08 0.00 0.04 0.00 0.00 61.00 63.05 2rfl s PRO 53 Cb -0.17 -2.95 0.83 0.00 0.04 0.00 0.00 34.50 32.25 2rfl s PRO 53 CO 0.14 0.00 2.00 -0.44 0.04 0.00 0.00 177.00 178.74 2rfl h ASP 54 N 3.29 0.37 -3.70 6.66 3.32 -1.88 -3.45 116.42 121.03 2rfl h ASP 54 Ca -0.48 -0.04 -0.22 0.00 0.02 0.00 0.00 57.03 56.32 2rfl h ASP 54 Cb 1.22 -0.09 -0.28 0.00 0.22 0.00 0.00 39.33 40.39 2rfl h ASP 54 CO 0.65 0.36 -0.61 -0.22 -1.72 0.00 0.00 179.24 177.70 2rfl s LEU 55 N -9.19 1.45 -0.23 1.55 2.96 -1.15 -3.78 118.68 110.29 2rfl s LEU 55 Ca -0.07 0.20 -0.08 0.00 -0.22 0.00 0.00 54.13 53.96 2rfl s LEU 55 Cb 0.16 0.31 -0.03 0.00 0.50 0.00 0.00 46.19 47.13 2rfl s LEU 55 CO 0.73 -0.06 0.08 -0.63 -1.32 0.00 0.00 176.35 175.15 2rfl s ILE 56 N 0.29 4.54 -0.33 6.68 1.01 0.16 -4.48 121.20 129.07 2rfl s ILE 56 Ca -0.02 -0.10 -0.10 0.00 0.00 0.00 0.00 60.65 60.43 2rfl s ILE 56 Cb -0.03 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.34 2rfl s ILE 56 CO -0.01 0.37 0.18 -0.76 0.00 0.00 0.00 174.94 174.71 2rfl s LEU 57 N 1.23 4.32 -0.03 2.97 1.43 -1.26 0.12 118.68 127.46 2rfl s LEU 57 Ca 0.05 -0.65 0.04 0.00 -1.03 0.00 0.00 54.13 52.54 2rfl s LEU 57 Cb -0.14 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 44.05 2rfl s LEU 57 CO 0.04 -0.25 -0.16 -0.55 0.23 0.00 0.00 176.35 175.65 2rfl s SER 58 N 1.61 1.96 0.68 2.29 0.15 -0.25 -0.37 113.70 119.76 2rfl s SER 58 Ca 0.04 -0.31 -0.17 0.00 0.70 0.00 0.00 55.95 56.21 2rfl s SER 58 Cb -0.18 -0.38 -0.09 0.00 -1.71 0.00 0.00 66.02 63.66 2rfl s SER 58 CO 0.07 0.17 0.22 -1.54 1.20 0.00 0.00 173.24 173.36 2rfl n SER 59 N 2.93 -2.32 -0.42 5.45 3.41 -0.83 0.63 113.62 122.47 2rfl n SER 59 Ca -0.16 0.58 0.09 0.00 -0.26 0.00 0.00 58.87 59.11 2rfl n SER 59 Cb 0.54 -1.07 0.34 0.00 -0.26 0.00 0.00 64.21 63.76 2rfl n SER 59 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2rfl n THR 60 N -2.08 0.20 -2.53 6.66 -2.24 -1.26 -4.16 114.28 108.88 2rfl n THR 60 Ca 0.08 -0.28 -0.39 0.00 -2.27 0.00 0.00 64.05 61.20 2rfl n THR 60 Cb 0.50 0.19 -0.04 0.00 -2.10 0.00 0.00 70.33 68.87 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 -1.80 3.27 0.24 6.98 0.00 -1.26 -4.78 121.76 124.42 2rfl s ALA 61 Ca 0.27 0.79 -0.13 0.00 0.00 0.00 0.00 51.96 52.89 2rfl s ALA 61 Cb 0.14 -3.29 0.33 0.00 0.00 0.00 0.00 23.12 20.30 2rfl s ALA 61 CO 0.21 -0.14 1.50 0.00 0.00 0.00 0.00 175.76 177.34 2rfl n ALA 62 N 0.72 0.04 0.14 0.00 0.00 -0.73 -0.58 120.51 120.09 2rfl n ALA 62 Ca 0.01 1.01 0.00 0.00 0.00 0.00 0.00 53.44 54.46 2rfl n ALA 62 Cb 0.47 -0.52 0.16 0.00 0.00 0.00 0.00 19.45 19.56 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 -1.79 -0.10 114.38 112.67 2rfl h ARG 63 Ca 0.39 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.47 2rfl h ARG 63 Cb 0.63 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.71 2rfl h ARG 63 CO -0.97 0.60 -0.03 0.00 0.10 0.00 0.00 179.97 179.66 2rfl h ARG 65 N -0.75 0.55 -0.08 0.00 3.08 -0.52 -0.03 114.38 116.62 2rfl h ARG 65 Ca -0.01 -0.03 -0.19 0.00 0.07 0.00 0.00 59.98 59.82 2rfl h ARG 65 Cb 0.60 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.54 2rfl h ARG 65 CO 0.02 0.36 -0.68 1.96 -1.07 0.00 0.00 179.97 180.56 2rfl h GLN 66 N 0.57 0.61 -0.79 0.04 4.20 -1.09 -2.29 115.11 116.36 2rfl h GLN 66 Ca 0.64 -0.55 0.05 0.00 0.06 0.00 0.00 58.65 58.86 2rfl h GLN 66 Cb 1.21 0.13 -0.06 0.00 0.30 0.00 0.00 27.48 29.06 2rfl h GLN 66 CO -0.48 1.16 0.48 1.15 -0.67 0.00 0.00 178.83 180.48 2rfl h THR 67 N 0.25 1.04 -0.87 -0.54 2.02 -0.76 -2.57 112.91 111.48 2rfl h THR 67 Ca -0.06 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.79 2rfl h THR 67 Cb 1.34 0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.77 2rfl h THR 67 CO 0.14 0.16 0.46 0.74 0.37 0.00 0.00 175.52 177.39 2rfl h THR 68 N 0.90 1.26 -0.71 3.16 2.02 -0.96 -2.97 112.91 115.61 2rfl h THR 68 Ca 0.34 -0.66 0.10 0.00 0.77 0.00 0.00 66.41 66.96 2rfl h THR 68 Cb 0.14 0.10 -0.05 0.00 -1.74 0.00 0.00 68.15 66.60 2rfl h THR 68 CO -0.16 0.29 0.47 1.56 0.37 0.00 0.00 175.52 178.06 2rfl h GLN 69 N 1.22 0.56 -0.74 6.66 1.08 -0.99 -1.94 115.11 120.97 2rfl h GLN 69 Ca 0.30 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.45 2rfl h GLN 69 Cb 0.06 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.33 2rfl h GLN 69 CO -0.05 0.37 0.37 0.00 -0.95 0.00 0.00 178.83 178.58 2rfl h ALA 70 N 1.64 0.95 0.00 3.87 0.00 -1.50 -2.82 119.26 121.40 2rfl h ALA 70 Ca 0.33 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 2rfl h ALA 70 Cb 0.52 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2rfl h ALA 70 CO -0.11 0.49 -0.26 -1.49 0.00 0.00 0.00 179.25 177.87 2rfl h TRP 71 N 1.02 0.00 -0.77 0.00 4.06 -1.45 -0.93 115.95 117.88 2rfl h TRP 71 Ca 0.26 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.16 2rfl h TRP 71 Cb 0.08 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.21 2rfl h TRP 71 CO 0.00 0.26 0.32 1.96 -3.56 0.00 0.00 178.44 177.42 2rfl h GLN 72 N 0.00 1.15 -0.41 0.49 4.20 -1.25 -2.86 115.11 116.43 2rfl h GLN 72 Ca -0.00 -0.20 -0.12 0.00 0.06 0.00 0.00 58.65 58.39 2rfl h GLN 72 Cb 0.64 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 2rfl h GLN 72 CO 0.03 0.93 -0.19 0.00 -0.67 0.00 0.00 178.83 178.93 2rfl h ARG 73 N 1.11 0.86 0.00 1.46 3.08 -1.08 -3.26 114.38 116.55 2rfl h ARG 73 Ca 0.26 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.94 2rfl h ARG 73 Cb 0.20 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2rfl h ARG 73 CO -0.02 1.01 0.00 0.00 -1.07 0.00 0.00 179.97 179.89 2rfl n ALA 74 N -2.49 2.40 -2.13 0.04 0.00 -0.47 -5.13 120.51 112.74 2rfl n ALA 74 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2rfl n ALA 74 Cb 0.43 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.41 2rfl n ALA 74 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2rfl n PHE 75 N -1.35 0.00 0.00 0.00 3.01 -1.09 -4.87 117.46 113.16 2rfl n PHE 75 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.58 2rfl n PHE 75 Cb 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.73 2rfl n PHE 75 CO 0.00 0.00 0.00 0.44 1.01 0.00 0.00 176.76 178.21 2rfl n ILE 79 N 0.00 0.00 -2.17 4.37 -5.35 -1.26 -5.08 119.36 109.87 2rfl n ILE 79 Ca 0.00 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 62.06 2rfl n ILE 79 Cb 0.00 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 37.87 2rfl n ILE 79 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 2rfl s ASP 80 N 0.00 6.78 -0.15 7.28 1.01 -1.25 -4.89 116.67 125.45 2rfl s ASP 80 Ca 0.00 2.03 0.01 0.00 0.71 0.00 0.00 52.55 55.30 2rfl s ASP 80 Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 2rfl s ASP 80 CO 0.00 -0.85 -0.17 -0.63 0.21 0.00 0.00 175.17 173.73 2rfl s ILE 81 N 3.74 2.53 -0.00 0.77 1.01 -1.26 0.36 121.20 128.34 2rfl s ILE 81 Ca 0.66 -0.82 0.06 0.00 0.00 0.00 0.00 60.65 60.55 2rfl s ILE 81 Cb -0.29 -2.05 -0.03 0.00 0.01 0.00 0.00 42.46 40.10 2rfl s ILE 81 CO 0.24 0.52 -0.19 -0.69 0.00 0.00 0.00 174.94 174.82 2rfl s VAL 82 N 0.82 2.68 -0.21 2.92 1.01 0.32 -4.94 120.40 123.01 2rfl s VAL 82 Ca -0.06 -1.02 -0.05 0.00 0.00 0.00 0.00 61.98 60.85 2rfl s VAL 82 Cb -0.15 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 2rfl s VAL 82 CO -0.01 0.48 0.01 -0.31 0.00 0.00 0.00 175.10 175.28 2rfl s TYR 83 N -0.78 3.05 -0.27 5.22 2.02 -1.26 -1.09 117.35 124.25 2rfl s TYR 83 Ca 0.12 -0.45 0.00 0.00 -0.37 0.00 0.00 57.07 56.37 2rfl s TYR 83 Cb -0.10 -2.11 0.08 0.00 -0.40 0.00 0.00 41.96 39.42 2rfl s TYR 83 CO 0.02 -0.26 0.02 0.42 -1.57 0.00 0.00 175.55 174.18 2rfl s ILE 84 N 1.11 1.29 0.53 2.71 1.01 0.21 -4.92 121.20 123.14 2rfl s ILE 84 Ca 0.03 -1.33 0.25 0.00 0.00 0.00 0.00 60.65 59.59 2rfl s ILE 84 Cb -0.14 -1.77 0.38 0.00 0.01 0.00 0.00 42.46 40.94 2rfl s ILE 84 CO 0.02 -0.36 2.01 0.44 0.00 0.00 0.00 174.94 177.05 2rfl h ASP 85 N 7.99 0.00 0.00 3.58 3.32 -1.92 -3.35 116.42 126.04 2rfl h ASP 85 Ca -0.14 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.74 2rfl h ASP 85 Cb 1.05 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.58 2rfl h ASP 85 CO 0.43 0.00 0.67 -0.62 -1.72 0.00 0.00 179.24 178.00 2rfl n GLU 86 N -4.36 1.31 0.00 3.56 -0.58 -1.26 -4.75 120.64 114.56 2rfl n GLU 86 Ca 0.08 -0.76 0.00 0.00 -0.42 0.00 0.00 57.16 56.06 2rfl n GLU 86 Cb 0.55 -1.94 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 2rfl n GLU 86 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 2rfl n TYR 88 N 3.11 0.00 -3.62 -0.32 9.36 -1.26 -3.98 117.16 120.46 2rfl n TYR 88 Ca 0.28 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 61.21 2rfl n TYR 88 Cb 0.40 0.00 0.05 0.00 -0.63 0.00 0.00 39.34 39.16 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 0.12 -5.38 -4.71 2.98 5.15 -1.26 -4.81 115.26 107.34 2rfl n ASN 89 Ca 0.00 -0.97 -0.42 0.00 -0.60 0.00 0.00 54.58 52.59 2rfl n ASN 89 Cb 0.00 -3.67 -0.03 0.00 -0.53 0.00 0.00 39.78 35.55 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 -3.46 3.72 -0.44 5.20 0.00 -1.26 -4.84 121.76 120.68 2rfl s ALA 90 Ca 0.46 1.27 0.25 0.00 0.00 0.00 0.00 51.96 53.94 2rfl s ALA 90 Cb -0.15 -3.62 1.00 0.00 0.00 0.00 0.00 23.12 20.35 2rfl s ALA 90 CO 0.84 -0.83 1.75 0.07 0.00 0.00 0.00 175.76 177.59 2rfl h ARG 91 N 7.20 0.00 -6.35 0.00 0.11 -1.88 -3.43 114.38 110.04 2rfl h ARG 91 Ca -0.42 0.00 -0.55 0.00 0.10 0.00 0.00 59.98 59.10 2rfl h ARG 91 Cb 1.20 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.25 2rfl h ARG 91 CO 0.91 0.00 -0.13 -1.12 0.10 0.00 0.00 179.97 179.73 2rfl s SER 92 N -4.49 6.70 0.31 0.08 0.01 -1.26 -5.00 113.70 110.04 2rfl s SER 92 Ca 0.05 0.95 0.05 0.00 1.31 0.00 0.00 55.95 58.31 2rfl s SER 92 Cb 0.10 -2.24 0.52 0.00 0.21 0.00 0.00 66.02 64.60 2rfl s SER 92 CO 0.44 0.03 1.77 -0.08 0.41 0.00 0.00 173.24 175.80 2rfl h GLU 93 N 3.07 0.36 -3.83 12.44 4.81 -1.97 -3.47 114.58 125.98 2rfl h GLU 93 Ca -0.48 -0.13 -0.16 0.00 -0.13 0.00 0.00 59.36 58.47 2rfl h GLU 93 Cb 1.18 -0.03 -0.08 0.00 0.63 0.00 0.00 28.75 30.46 2rfl h GLU 93 CO 0.68 0.59 -0.13 0.95 -0.73 0.00 0.00 179.01 180.37 2rfl s THR 94 N -4.47 0.00 -0.64 0.32 -4.23 -1.26 -4.54 115.64 100.82 2rfl s THR 94 Ca -0.06 -1.47 0.16 0.00 -1.18 0.00 0.00 61.69 59.14 2rfl s THR 94 Cb 0.14 -2.48 0.63 0.00 1.34 0.00 0.00 72.50 72.13 2rfl s THR 94 CO 0.77 0.00 1.54 -1.22 -0.54 0.00 0.00 174.62 175.17 2rfl n TYR 95 N -0.47 1.31 -0.34 3.99 4.01 -1.26 -4.77 117.16 119.62 2rfl n TYR 95 Ca -0.01 -0.70 0.25 0.00 -0.16 0.00 0.00 57.90 57.28 2rfl n TYR 95 Cb 0.62 -0.29 0.53 0.00 -0.31 0.00 0.00 39.34 39.88 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 3.12 0.42 -0.15 7.72 -0.00 -1.94 -2.59 115.31 121.89 2rfl h LEU 96 Ca 0.00 0.10 -0.22 0.00 -0.00 0.00 0.00 57.88 57.75 2rfl h LEU 96 Cb 1.46 0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 42.15 2rfl h LEU 96 CO 0.25 0.04 -0.98 0.28 -0.00 0.00 0.00 178.44 178.03 2rfl h SER 97 N 0.35 0.38 -0.69 -0.43 0.02 -1.98 -2.09 113.55 109.10 2rfl h SER 97 Ca 0.63 -0.33 0.11 0.00 -0.84 0.00 0.00 61.79 61.37 2rfl h SER 97 Cb 1.66 -0.12 -0.08 0.00 0.14 0.00 0.00 62.40 64.01 2rfl h SER 97 CO -0.33 1.16 0.29 -0.07 -1.14 0.00 0.00 176.83 176.74 2rfl h LEU 98 N 0.14 0.32 -0.25 5.07 3.38 -1.85 -0.43 115.31 121.69 2rfl h LEU 98 Ca -0.07 0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 2rfl h LEU 98 Cb 1.64 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.42 2rfl h LEU 98 CO 0.16 0.17 -0.11 0.40 0.09 0.00 0.00 178.44 179.14 2rfl h ILE 99 N 0.48 1.30 0.00 1.22 2.04 -1.53 -3.29 117.51 117.73 2rfl h ILE 99 Ca 0.36 -1.18 0.00 0.00 1.00 0.00 0.00 64.86 65.04 2rfl h ILE 99 Cb 0.46 1.54 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 2rfl h ILE 99 CO -0.33 0.37 0.00 0.00 0.00 0.00 0.00 178.15 178.19 2rfl h ALA 100 N 0.73 1.00 0.00 1.87 0.00 -1.12 -3.15 119.26 118.59 2rfl h ALA 100 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2rfl h ALA 100 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2rfl h ALA 100 CO 0.03 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.28 2rfl h ALA 101 N 2.17 1.00 -2.38 0.00 0.00 -1.15 -3.40 119.26 115.51 2rfl h ALA 101 Ca 0.00 0.00 -0.79 0.00 0.00 0.00 0.00 54.91 54.12 2rfl h ALA 101 Cb 0.72 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 18.24 2rfl h ALA 101 CO 0.00 0.00 0.63 1.04 0.00 0.00 0.00 179.25 180.92 2rfl n GLN 102 N -2.67 3.58 0.03 0.00 1.13 -1.19 -4.85 117.38 113.41 2rfl n GLN 102 Ca 0.03 -4.37 0.13 0.00 -1.94 0.00 0.00 57.00 50.85 2rfl n GLN 102 Cb 0.38 -2.62 0.52 0.00 0.11 0.00 0.00 30.24 28.63 2rfl n GLN 102 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2rfl n THR 103 N 2.88 0.32 -1.80 5.09 -2.24 -1.26 -3.44 114.28 113.83 2rfl n THR 103 Ca 0.26 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 62.09 2rfl n THR 103 Cb 0.39 -0.64 0.07 0.00 -2.10 0.00 0.00 70.33 68.06 2rfl n THR 103 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2rfl n GLU 104 N -1.68 0.58 -4.33 -0.78 1.02 -1.26 -4.24 120.64 109.95 2rfl n GLU 104 Ca 0.06 -1.98 -0.33 0.00 -0.02 0.00 0.00 57.16 54.89 2rfl n GLU 104 Cb 0.32 -0.82 -0.16 0.00 -0.02 0.00 0.00 31.44 30.76 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 -1.25 2.36 0.20 2.62 1.01 -1.23 -5.03 120.40 119.09 2rfl s VAL 105 Ca 0.21 -0.86 -0.08 0.00 0.00 0.00 0.00 61.98 61.26 2rfl s VAL 105 Cb 0.21 -1.99 0.08 0.00 0.00 0.00 0.00 36.38 34.68 2rfl s VAL 105 CO -0.04 0.52 1.67 -0.61 0.00 0.00 0.00 175.10 176.65 2rfl h GLN 106 N 7.65 1.04 -3.11 2.72 4.15 -1.94 -3.26 115.11 122.36 2rfl h GLN 106 Ca -0.39 -0.31 -0.21 0.00 0.77 0.00 0.00 58.65 58.51 2rfl h GLN 106 Cb 1.17 -0.10 -0.30 0.00 0.21 0.00 0.00 27.48 28.45 2rfl h GLN 106 CO 0.60 1.00 -0.52 -1.54 -1.93 0.00 0.00 178.83 176.44 2rfl s SER 107 N -6.58 -0.21 0.00 -0.69 1.04 -1.26 0.75 113.70 106.75 2rfl s SER 107 Ca -0.11 0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.77 2rfl s SER 107 Cb 0.14 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.60 2rfl s SER 107 CO 0.85 -0.15 0.00 0.55 0.98 0.00 0.00 173.24 175.47 2rfl n VAL 108 N 4.13 0.00 -3.67 5.02 3.14 -0.81 -2.71 118.33 123.43 2rfl n VAL 108 Ca -0.25 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.05 2rfl n VAL 108 Cb 0.53 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 33.22 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 -0.46 -0.41 6.55 1.43 -0.89 -1.52 118.68 123.38 2rfl s LEU 110 Ca 0.00 1.09 -0.01 0.00 -1.03 0.00 0.00 54.13 54.18 2rfl s LEU 110 Cb 0.00 1.62 0.11 0.00 0.03 0.00 0.00 46.19 47.96 2rfl s LEU 110 CO 0.00 -0.21 0.19 -0.69 0.23 0.00 0.00 176.35 175.86 2rfl s VAL 111 N 1.83 3.05 0.00 -1.59 1.01 0.50 0.32 120.40 125.51 2rfl s VAL 111 Ca -0.08 -2.23 0.00 0.00 0.00 0.00 0.00 61.98 59.67 2rfl s VAL 111 Cb -0.09 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.17 2rfl s VAL 111 CO -0.15 -0.69 0.00 0.61 0.00 0.00 0.00 175.10 174.88 2rfl n GLY 112 N 4.39 5.56 3.31 4.51 0.00 -0.62 -1.97 105.19 120.37 2rfl n GLY 112 Ca 0.00 -1.43 -0.18 0.00 0.00 0.00 0.00 46.02 44.41 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 0.11 1.61 0.38 1.61 3.76 -1.26 -3.11 115.29 118.39 2rfl s HIS 113 Ca 0.00 -0.57 -0.12 0.00 -0.15 0.00 0.00 55.06 54.22 2rfl s HIS 113 Cb 0.00 -0.79 -0.07 0.00 1.11 0.00 0.00 32.58 32.83 2rfl s HIS 113 CO 0.00 0.28 0.76 -0.80 -0.85 0.00 0.00 174.74 174.12 2rfl s ASN 114 N -2.99 6.59 0.00 1.40 0.01 -1.26 -2.59 114.94 116.10 2rfl s ASN 114 Ca 0.18 1.17 0.27 0.00 -0.71 0.00 0.00 52.86 53.76 2rfl s ASN 114 Cb -0.02 -2.33 1.28 0.00 0.41 0.00 0.00 41.25 40.59 2rfl s ASN 114 CO 0.05 -0.34 1.90 -0.81 -1.51 0.00 0.00 177.10 176.39 2rfl n PRO 115 N -1.04 0.24 0.00 -0.60 -0.05 -1.26 -5.04 135.00 127.25 2rfl n PRO 115 Ca 0.03 0.04 0.00 0.00 -0.05 0.00 0.00 63.50 63.51 2rfl n PRO 115 Cb 0.54 -1.50 0.00 0.00 -0.05 0.00 0.00 33.50 32.49 2rfl n PRO 115 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 175.50 177.86 2rfl n THR 116 N -1.37 0.49 0.00 0.52 -1.04 -1.07 -1.29 114.28 110.52 2rfl n THR 116 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 2rfl n THR 116 Cb 0.25 -0.74 0.00 0.00 -1.82 0.00 0.00 70.33 68.02 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 0.75 0.00 -0.17 -2.82 2.13 -1.26 -2.67 120.64 116.60 2rfl n GLU 118 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 2rfl n GLU 118 Cb 0.24 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.96 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 0.62 0.57 4.31 0.00 -1.48 -1.76 119.26 121.52 2rfl h ALA 119 Ca 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2rfl h ALA 119 Cb 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2rfl h ALA 119 CO 0.00 0.28 -0.38 1.15 0.00 0.00 0.00 179.25 180.30 2rfl h THR 120 N 0.63 0.00 -0.85 0.00 2.02 -1.77 -0.72 112.91 112.22 2rfl h THR 120 Ca 0.15 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.47 2rfl h THR 120 Cb 0.27 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.54 2rfl h THR 120 CO -0.00 0.00 -0.36 0.25 0.37 0.00 0.00 175.52 175.78 2rfl h LEU 121 N -0.90 -1.30 -1.31 2.58 6.46 -1.86 -1.05 115.31 117.93 2rfl h LEU 121 Ca -0.08 0.28 0.22 0.00 -0.12 0.00 0.00 57.88 58.18 2rfl h LEU 121 Cb 0.73 0.68 -0.09 0.00 -0.73 0.00 0.00 40.66 41.26 2rfl h LEU 121 CO 0.06 -0.29 0.62 -0.08 -0.62 0.00 0.00 178.44 178.13 2rfl h GLU 122 N -0.05 0.50 -1.22 1.25 4.81 -1.09 -0.36 114.58 118.42 2rfl h GLU 122 Ca 0.32 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 2rfl h GLU 122 Cb 0.59 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.85 2rfl h GLU 122 CO -0.88 0.33 0.00 0.00 -0.73 0.00 0.00 179.01 177.73 2rfl n ALA 123 N -2.45 2.16 0.00 2.92 0.00 -0.30 -0.92 120.51 121.93 2rfl n ALA 123 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2rfl n ALA 123 Cb 0.71 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.16 2rfl n ALA 123 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2rfl n ILE 125 N 0.58 0.00 0.00 0.00 5.41 -0.15 -5.08 119.36 120.13 2rfl n ILE 125 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2rfl n ILE 125 Cb 0.31 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.24 2rfl n ILE 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2rfl n GLY 126 N 0.00 -2.36 0.18 7.39 0.00 -0.10 -4.47 105.19 105.83 2rfl n GLY 126 Ca 0.00 -1.47 -0.11 0.00 0.00 0.00 0.00 46.02 44.44 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 0.55 -0.01 1.61 4.11 -1.98 -2.91 114.58 115.95 2rfl h GLU 127 Ca 0.00 -0.18 0.01 0.00 0.07 0.00 0.00 59.36 59.26 2rfl h GLU 127 Cb 0.00 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2rfl h GLU 127 CO 0.00 0.70 -0.21 -0.44 0.07 0.00 0.00 179.01 179.13 2rfl h ASP 128 N 0.34 -0.64 0.12 3.06 3.32 -1.97 0.63 116.42 121.28 2rfl h ASP 128 Ca 0.09 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 2rfl h ASP 128 Cb 0.46 0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.26 2rfl h ASP 128 CO 0.02 -0.20 -0.03 0.25 -1.72 0.00 0.00 179.24 177.56 2rfl h LEU 129 N -0.25 0.00 0.14 1.55 5.85 -1.78 1.16 115.31 121.98 2rfl h LEU 129 Ca 0.01 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2rfl h LEU 129 Cb 0.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.31 2rfl h LEU 129 CO -0.14 0.03 -0.07 0.25 -0.34 0.00 0.00 178.44 178.17 2rfl h LEU 130 N 0.00 -0.16 -1.65 2.25 7.12 -1.26 0.61 115.31 122.22 2rfl h LEU 130 Ca -0.00 -0.39 -0.04 0.00 0.13 0.00 0.00 57.88 57.58 2rfl h LEU 130 Cb 0.10 0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.27 2rfl h LEU 130 CO 0.00 0.39 -0.19 0.45 -0.13 0.00 0.00 178.44 178.96 2rfl h HIS 131 N -0.80 0.00 0.00 1.25 3.86 0.28 0.70 115.15 120.44 2rfl h HIS 131 Ca -0.02 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2rfl h HIS 131 Cb 0.54 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.01 2rfl h HIS 131 CO 0.09 0.19 -0.01 0.00 0.86 0.00 0.00 177.93 179.05 2rfl h ALA 132 N 1.81 0.00 -0.40 2.45 0.00 0.12 -3.28 119.26 119.96 2rfl h ALA 132 Ca -0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 2rfl h ALA 132 Cb 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2rfl h ALA 132 CO 0.02 -0.09 -0.13 0.00 0.00 0.00 0.00 179.25 179.05 2rfl h ALA 133 N 0.20 1.01 -2.53 0.00 0.00 -0.57 -3.40 119.26 113.97 2rfl h ALA 133 Ca -0.00 -0.32 -0.60 0.00 0.00 0.00 0.00 54.91 53.99 2rfl h ALA 133 Cb 0.81 -0.16 -0.39 0.00 0.00 0.00 0.00 17.79 18.05 2rfl h ALA 133 CO 0.00 0.59 -0.89 -0.51 0.00 0.00 0.00 179.25 178.45 2rfl s LEU 134 N -8.97 2.03 0.37 0.00 1.43 0.24 -4.97 118.68 108.80 2rfl s LEU 134 Ca -0.09 -3.13 0.09 0.00 -1.03 0.00 0.00 54.13 49.98 2rfl s LEU 134 Cb 0.14 -0.67 0.72 0.00 0.03 0.00 0.00 46.19 46.41 2rfl s LEU 134 CO 0.82 -0.17 1.87 -0.65 0.23 0.00 0.00 176.35 178.45 2rfl h PRO 135 N 5.74 0.22 -0.54 1.29 0.11 -1.76 -2.72 132.00 134.34 2rfl h PRO 135 Ca 0.22 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2rfl h PRO 135 Cb 0.89 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.97 2rfl h PRO 135 CO 0.43 0.42 0.00 -1.13 -0.21 0.00 0.00 178.00 177.51 2rfl n SER 136 N -4.22 3.46 0.00 -2.05 3.41 -1.26 -5.07 113.62 107.88 2rfl n SER 136 Ca -0.01 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.60 2rfl n SER 136 Cb 0.31 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 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 1.10 -2.22 3.60 5.00 0.00 -1.03 -4.85 105.19 106.79 2rfl n GLY 137 Ca 0.18 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.32 2.36 0.49 1.61 2.19 -1.26 -4.80 117.98 118.26 2rfl s PHE 138 Ca 0.00 0.65 -0.23 0.00 0.33 0.00 0.00 56.93 57.68 2rfl s PHE 138 Cb 0.00 -4.32 -0.06 0.00 -1.31 0.00 0.00 43.02 37.33 2rfl s PHE 138 CO 0.00 -2.01 1.29 -1.25 1.83 0.00 0.00 175.22 175.08 2rfl s PRO 139 N 5.05 3.48 0.04 10.12 0.04 -1.26 -4.96 135.00 147.51 2rfl s PRO 139 Ca 0.61 2.07 -0.37 0.00 0.04 0.00 0.00 61.00 63.36 2rfl s PRO 139 Cb -0.13 -2.39 -0.16 0.00 0.04 0.00 0.00 34.50 31.86 2rfl s PRO 139 CO 0.32 -0.86 1.48 0.25 0.04 0.00 0.00 177.00 178.22 2rfl n THR 140 N -0.66 0.08 -2.59 1.26 -2.24 -1.26 -1.43 114.28 107.44 2rfl n THR 140 Ca 0.08 -0.01 -0.17 0.00 -2.27 0.00 0.00 64.05 61.67 2rfl n THR 140 Cb 0.46 -1.08 -0.00 0.00 -2.10 0.00 0.00 70.33 67.60 2rfl n THR 140 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2rfl n SER 141 N 3.36 -4.84 -4.80 3.42 2.88 -0.51 -4.83 113.62 108.30 2rfl n SER 141 Ca 0.20 0.01 -0.34 0.00 -1.33 0.00 0.00 58.87 57.41 2rfl n SER 141 Cb 0.21 -4.04 -0.03 0.00 -0.75 0.00 0.00 64.21 59.60 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 -2.19 2.41 -0.26 0.46 0.00 -0.52 -4.72 107.32 102.51 2rfl s GLY 142 Ca 0.08 0.53 0.00 0.00 0.00 0.00 0.00 44.72 45.33 2rfl s GLY 142 CO 0.10 0.84 0.02 -2.27 0.00 0.00 0.00 173.10 171.78 2rfl s LEU 143 N -3.65 2.54 -0.34 0.66 2.96 -0.37 -2.66 118.68 117.82 2rfl s LEU 143 Ca 0.66 -1.37 -0.20 0.00 -0.22 0.00 0.00 54.13 52.99 2rfl s LEU 143 Cb -0.15 -1.05 -0.00 0.00 0.50 0.00 0.00 46.19 45.48 2rfl s LEU 143 CO 0.23 -0.32 0.62 0.00 -1.32 0.00 0.00 176.35 175.56 2rfl s ALA 144 N 1.47 3.49 -0.19 5.97 0.00 0.08 -2.28 121.76 130.29 2rfl s ALA 144 Ca 0.01 -0.80 -0.12 0.00 0.00 0.00 0.00 51.96 51.06 2rfl s ALA 144 Cb -0.18 -3.12 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 2rfl s ALA 144 CO -0.12 -1.22 0.20 0.08 0.00 0.00 0.00 175.76 174.70 2rfl s VAL 145 N 2.63 5.36 -0.04 0.00 1.01 -0.89 0.43 120.40 128.91 2rfl s VAL 145 Ca 0.24 0.34 -0.01 0.00 0.00 0.00 0.00 61.98 62.55 2rfl s VAL 145 Cb -0.15 -3.54 0.03 0.00 0.00 0.00 0.00 36.38 32.72 2rfl s VAL 145 CO 0.14 0.41 0.07 -0.76 0.00 0.00 0.00 175.10 174.96 2rfl s LEU 146 N 0.47 1.12 0.43 3.92 1.02 -0.05 -1.92 118.68 123.67 2rfl s LEU 146 Ca 0.12 0.14 0.05 0.00 0.02 0.00 0.00 54.13 54.45 2rfl s LEU 146 Cb -0.12 0.13 -0.05 0.00 0.02 0.00 0.00 46.19 46.17 2rfl s LEU 146 CO 0.01 -0.11 0.02 -1.81 0.02 0.00 0.00 176.35 174.48 2rfl s ASP 147 N 0.88 3.73 0.08 2.29 1.11 -0.98 -0.16 116.67 123.61 2rfl s ASP 147 Ca -0.07 -1.48 -0.23 0.00 0.18 0.00 0.00 52.55 50.95 2rfl s ASP 147 Cb -0.10 -0.01 -0.07 0.00 1.07 0.00 0.00 42.92 43.81 2rfl s ASP 147 CO -0.03 -0.63 0.68 -1.10 1.18 0.00 0.00 175.17 175.27 2rfl s GLN 148 N -3.78 4.40 -0.16 8.23 -0.21 -1.13 -1.24 119.66 125.77 2rfl s GLN 148 Ca 0.25 0.94 0.18 0.00 0.02 0.00 0.00 55.36 56.75 2rfl s GLN 148 Cb 0.07 -3.29 0.39 0.00 1.00 0.00 0.00 33.01 31.17 2rfl s GLN 148 CO 0.13 0.50 1.19 -0.25 -2.12 0.00 0.00 175.29 174.74 2rfl n ASP 149 N 2.09 0.40 0.00 5.90 8.00 -1.26 -4.89 116.55 126.79 2rfl n ASP 149 Ca -0.07 -2.05 0.00 0.00 0.71 0.00 0.00 54.79 53.38 2rfl n ASP 149 Cb 0.50 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 2rfl n ASP 149 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2rfl n ASN 157 N -0.37 0.00 -3.57 -2.24 3.02 -1.26 -4.89 115.26 105.96 2rfl n ASN 157 Ca -0.04 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.41 2rfl n ASN 157 Cb 0.90 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 40.02 2rfl n ASN 157 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2rfl s ARG 158 N 0.00 0.61 -0.16 3.52 3.52 -1.26 -5.16 118.95 120.01 2rfl s ARG 158 Ca 0.00 0.11 -0.10 0.00 -0.13 0.00 0.00 55.73 55.61 2rfl s ARG 158 Cb 0.00 0.29 -0.05 0.00 -1.56 0.00 0.00 34.95 33.63 2rfl s ARG 158 CO 0.00 -0.20 0.18 -1.58 -0.81 0.00 0.00 175.30 172.89 2rfl s TRP 159 N -1.26 3.49 -0.11 5.12 0.52 -1.26 -4.51 118.94 120.92 2rfl s TRP 159 Ca -0.01 0.47 0.01 0.00 0.02 0.00 0.00 56.10 56.59 2rfl s TRP 159 Cb -0.00 -2.15 -0.02 0.00 -1.15 0.00 0.00 33.47 30.15 2rfl s TRP 159 CO 0.01 0.41 -0.14 0.50 0.02 0.00 0.00 176.95 177.75 2rfl s ARG 160 N -0.05 3.17 -0.47 4.98 3.52 -0.37 -4.72 118.95 125.01 2rfl s ARG 160 Ca 0.12 -0.69 -0.28 0.00 -0.13 0.00 0.00 55.73 54.75 2rfl s ARG 160 Cb -0.12 -2.56 0.01 0.00 -1.56 0.00 0.00 34.95 30.72 2rfl s ARG 160 CO 0.02 0.31 1.38 -1.17 -0.81 0.00 0.00 175.30 175.03 2rfl s LEU 161 N 0.09 3.53 -0.05 -0.88 2.96 -1.26 -2.33 118.68 120.74 2rfl s LEU 161 Ca -0.06 0.61 0.14 0.00 -0.22 0.00 0.00 54.13 54.60 2rfl s LEU 161 Cb -0.15 -3.38 -0.22 0.00 0.50 0.00 0.00 46.19 42.94 2rfl s LEU 161 CO 0.05 -1.51 0.60 -0.38 -1.32 0.00 0.00 176.35 173.78 2rfl n ILE 162 N 6.99 1.48 -3.64 6.68 -0.00 -0.81 -4.98 119.36 125.09 2rfl n ILE 162 Ca 0.15 -0.78 -0.11 0.00 -0.00 0.00 0.00 62.75 62.01 2rfl n ILE 162 Cb 0.49 -0.88 -0.07 0.00 -0.00 0.00 0.00 39.64 39.17 2rfl n ILE 162 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 2rfl s ASP 163 N -5.92 -0.54 -0.07 4.38 -1.08 -1.23 -5.05 116.67 107.16 2rfl s ASP 163 Ca -0.05 1.04 0.01 0.00 -0.52 0.00 0.00 52.55 53.04 2rfl s ASP 163 Cb 0.08 1.06 0.02 0.00 -1.46 0.00 0.00 42.92 42.62 2rfl s ASP 163 CO 0.82 -0.18 -0.09 0.12 0.52 0.00 0.00 175.17 176.36 2rfl s PHE 164 N 0.29 1.26 -0.21 -5.34 2.19 -1.26 -2.09 117.98 112.82 2rfl s PHE 164 Ca 0.02 -0.48 -0.02 0.00 0.33 0.00 0.00 56.93 56.79 2rfl s PHE 164 Cb -0.05 -0.99 0.01 0.00 -1.31 0.00 0.00 43.02 40.68 2rfl s PHE 164 CO -0.04 -0.30 -0.11 -0.51 1.83 0.00 0.00 175.22 176.09 2rfl s LEU 165 N 0.93 2.62 -0.04 6.12 1.43 -0.97 -4.97 118.68 123.80 2rfl s LEU 165 Ca -0.10 -0.55 -0.15 0.00 -1.03 0.00 0.00 54.13 52.30 2rfl s LEU 165 Cb -0.15 -1.63 0.03 0.00 0.03 0.00 0.00 46.19 44.47 2rfl s LEU 165 CO 0.01 -0.02 0.34 0.00 0.23 0.00 0.00 176.35 176.90 2rfl s ALA 166 N 1.39 -0.86 0.39 4.21 0.00 -1.26 -1.23 121.76 124.39 2rfl s ALA 166 Ca 0.05 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.55 2rfl s ALA 166 Cb -0.14 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.90 2rfl s ALA 166 CO -0.07 -0.25 0.00 -0.35 0.00 0.00 0.00 175.76 175.09 2rfl n PRO 167 N 1.62 1.39 0.00 0.00 -0.04 -1.26 -5.10 135.00 131.60 2rfl n PRO 167 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 2rfl n PRO 167 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 2rfl n PRO 167 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87