#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rpp s SER 8 N 0.00 6.08 -0.30 1.61 0.01 -1.26 -5.07 113.70 114.77 2rpp s SER 8 Ca 0.00 1.63 -0.09 0.00 1.31 0.00 0.00 55.95 58.80 2rpp s SER 8 Cb 0.00 -2.51 0.14 0.00 0.21 0.00 0.00 66.02 63.86 2rpp s SER 8 CO 0.00 -0.97 0.67 -0.94 0.41 0.00 0.00 173.24 172.41 2rpp s SER 9 N -3.28 -1.14 0.32 2.44 1.04 -1.26 -5.17 113.70 106.65 2rpp s SER 9 Ca 0.60 1.42 0.07 0.00 0.48 0.00 0.00 55.95 58.51 2rpp s SER 9 Cb -0.13 2.24 -0.02 0.00 0.10 0.00 0.00 66.02 68.21 2rpp s SER 9 CO 0.41 -0.22 0.34 -0.83 0.98 0.00 0.00 173.24 173.92 2rpp s GLY 10 N 2.87 1.65 0.14 7.32 0.00 -1.26 -5.14 107.32 112.90 2rpp s GLY 10 Ca -0.02 -1.55 -0.06 0.00 0.00 0.00 0.00 44.72 43.09 2rpp s GLY 10 CO -0.19 -1.48 0.19 -0.56 0.00 0.00 0.00 173.10 171.06 2rpp s SER 11 N -4.04 0.15 0.34 1.64 0.01 -1.26 -5.18 113.70 105.37 2rpp s SER 11 Ca 0.41 -0.95 0.07 0.00 1.31 0.00 0.00 55.95 56.79 2rpp s SER 11 Cb -0.07 0.37 -0.02 0.00 0.21 0.00 0.00 66.02 66.51 2rpp s SER 11 CO 0.28 -0.81 0.37 -0.44 0.41 0.00 0.00 173.24 173.04 2rpp s SER 12 N -2.98 5.55 -0.33 2.44 0.01 -1.26 -5.10 113.70 112.03 2rpp s SER 12 Ca 0.17 -0.38 -0.07 0.00 1.31 0.00 0.00 55.95 56.98 2rpp s SER 12 Cb 0.05 -1.06 0.19 0.00 0.21 0.00 0.00 66.02 65.41 2rpp s SER 12 CO -0.01 -0.40 0.99 -0.83 0.41 0.00 0.00 173.24 173.40 2rpp s GLY 13 N -4.07 -1.47 0.19 3.44 0.00 -1.26 -5.03 107.32 99.11 2rpp s GLY 13 Ca 0.43 1.21 -0.05 0.00 0.00 0.00 0.00 44.72 46.30 2rpp s GLY 13 CO 0.28 4.21 1.54 -0.56 0.00 0.00 0.00 173.10 178.58 2rpp h PRO 14 N 5.76 0.71 -5.57 2.90 0.13 -2.09 -3.43 132.00 130.42 2rpp h PRO 14 Ca -0.03 -0.37 -0.66 0.00 -0.87 0.00 0.00 66.00 64.07 2rpp h PRO 14 Cb 1.22 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.28 2rpp h PRO 14 CO -0.05 0.99 -0.49 0.14 -0.23 0.00 0.00 178.00 178.36 2rpp s VAL 15 N -4.28 5.46 -0.22 1.56 -7.23 -1.26 -5.09 120.40 109.33 2rpp s VAL 15 Ca -0.09 0.19 -0.19 0.00 -1.81 0.00 0.00 61.98 60.09 2rpp s VAL 15 Cb 0.12 -3.40 0.06 0.00 0.56 0.00 0.00 36.38 33.72 2rpp s VAL 15 CO 0.85 0.58 0.58 -0.60 -0.31 0.00 0.00 175.10 176.19 2rpp s ARG 16 N -0.72 0.65 0.64 4.82 6.06 -1.26 -5.16 118.95 123.98 2rpp s ARG 16 Ca 0.13 0.85 -0.17 0.00 -2.50 0.00 0.00 55.73 54.05 2rpp s ARG 16 Cb -0.12 0.28 -0.01 0.00 0.06 0.00 0.00 34.95 35.16 2rpp s ARG 16 CO 0.03 -0.10 1.16 -0.51 -2.50 0.00 0.00 175.30 173.38 2rpp s ASP 17 N 0.55 5.01 -1.38 -2.12 1.11 -1.26 -3.43 116.67 115.15 2rpp s ASP 17 Ca -0.02 2.22 -0.06 0.00 0.18 0.00 0.00 52.55 54.88 2rpp s ASP 17 Cb -0.05 -2.58 0.03 0.00 1.07 0.00 0.00 42.92 41.40 2rpp s ASP 17 CO -0.03 -1.71 0.89 0.41 1.18 0.00 0.00 175.17 175.91 2rpp n THR 18 N -2.08 -3.67 -0.10 -1.27 -1.04 -1.26 -4.90 114.28 99.96 2rpp n THR 18 Ca 0.12 -0.28 -0.12 0.00 -2.04 0.00 0.00 64.05 61.74 2rpp n THR 18 Cb 0.51 -3.64 -0.14 0.00 -1.82 0.00 0.00 70.33 65.24 2rpp n THR 18 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2rpp n LYS 19 N -4.48 0.83 0.01 -2.82 4.81 -1.22 -4.33 118.16 110.96 2rpp n LYS 19 Ca -0.15 0.04 0.13 0.00 -0.87 0.00 0.00 58.31 57.46 2rpp n LYS 19 Cb 0.61 -1.48 0.44 0.00 0.02 0.00 0.00 35.03 34.63 2rpp n LYS 19 CO 0.00 0.00 0.00 -2.67 1.17 0.00 0.00 177.40 175.90 2rpp n TRP 20 N -2.85 0.13 -1.41 5.64 4.27 -1.26 -3.83 117.44 118.13 2rpp n TRP 20 Ca -0.34 0.04 -0.33 0.00 -3.89 0.00 0.00 57.50 52.97 2rpp n TRP 20 Cb 1.06 -0.47 0.06 0.00 -1.36 0.00 0.00 31.31 30.60 2rpp n TRP 20 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 2rpp n LEU 21 N -1.62 7.46 -4.55 5.67 4.77 -1.26 -4.73 117.00 122.74 2rpp n LEU 21 Ca 0.06 -4.27 -0.25 0.00 -0.03 0.00 0.00 56.01 51.52 2rpp n LEU 21 Cb 0.35 -1.02 -0.10 0.00 -2.33 0.00 0.00 43.42 40.32 2rpp n LEU 21 CO 0.31 1.51 -0.39 0.42 -1.33 0.00 0.00 177.39 177.91 2rpp s THR 22 N -4.42 2.46 -0.07 -5.08 -4.23 -1.25 -0.47 115.64 102.57 2rpp s THR 22 Ca 0.58 -2.20 -0.19 0.00 -1.18 0.00 0.00 61.69 58.69 2rpp s THR 22 Cb 0.45 -2.59 0.04 0.00 1.34 0.00 0.00 72.50 71.74 2rpp s THR 22 CO -0.11 -0.27 0.45 -0.76 -0.54 0.00 0.00 174.62 173.39 2rpp s LEU 23 N -3.61 0.28 0.03 4.79 1.43 -0.72 -4.82 118.68 116.07 2rpp s LEU 23 Ca 0.32 0.51 -0.30 0.00 -1.03 0.00 0.00 54.13 53.63 2rpp s LEU 23 Cb -0.01 1.68 -0.07 0.00 0.03 0.00 0.00 46.19 47.83 2rpp s LEU 23 CO 0.17 -0.40 1.47 -1.61 0.23 0.00 0.00 176.35 176.21 2rpp s GLU 24 N -0.80 4.26 0.13 1.70 2.02 -1.26 -2.96 118.70 121.79 2rpp s GLU 24 Ca -0.09 2.08 -0.30 0.00 0.02 0.00 0.00 54.97 56.68 2rpp s GLU 24 Cb -0.03 -3.55 -0.06 0.00 0.10 0.00 0.00 34.13 30.59 2rpp s GLU 24 CO 0.04 -0.61 0.97 0.08 0.02 0.00 0.00 175.26 175.76 2rpp s VAL 25 N 2.34 4.42 -0.45 2.63 1.01 -1.26 -3.49 120.40 125.60 2rpp s VAL 25 Ca 0.67 2.05 -0.27 0.00 0.00 0.00 0.00 61.98 64.42 2rpp s VAL 25 Cb -0.34 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.69 2rpp s VAL 25 CO 0.28 0.33 2.05 0.00 0.00 0.00 0.00 175.10 177.76 2rpp h ARG 27 N 15.74 0.19 -0.13 0.00 -0.00 -1.94 0.36 114.38 128.60 2rpp h ARG 27 Ca -0.29 -0.01 -0.06 0.00 -0.00 0.00 0.00 59.98 59.61 2rpp h ARG 27 Cb 1.20 -0.04 -0.00 0.00 -0.00 0.00 0.00 29.97 31.13 2rpp h ARG 27 CO 1.12 0.12 -0.15 1.96 -0.00 0.00 0.00 179.97 183.02 2rpp h GLN 28 N 0.19 0.33 -0.97 0.08 4.20 -1.94 -3.16 115.11 113.84 2rpp h GLN 28 Ca 0.73 -0.19 0.20 0.00 0.06 0.00 0.00 58.65 59.45 2rpp h GLN 28 Cb 2.19 0.01 -0.11 0.00 0.30 0.00 0.00 27.48 29.87 2rpp h GLN 28 CO -0.35 0.75 0.56 0.35 -0.67 0.00 0.00 178.83 179.47 2rpp h PHE 29 N -0.06 0.98 0.13 2.96 3.57 -0.64 -0.91 116.94 122.96 2rpp h PHE 29 Ca 0.02 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.57 2rpp h PHE 29 Cb 0.70 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.12 2rpp h PHE 29 CO 0.09 0.16 -0.28 1.96 -2.23 0.00 0.00 178.31 178.02 2rpp h GLN 30 N 0.67 -0.48 -0.27 1.11 4.20 -1.41 -1.88 115.11 117.06 2rpp h GLN 30 Ca 0.58 0.03 -0.02 0.00 0.06 0.00 0.00 58.65 59.30 2rpp h GLN 30 Cb 0.95 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 2rpp h GLN 30 CO -0.41 -0.32 0.09 0.00 -0.67 0.00 0.00 178.83 177.52 2rpp h ARG 31 N -0.50 0.37 0.00 1.46 -0.00 -1.31 -3.46 114.38 110.94 2rpp h ARG 31 Ca 0.03 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.47 2rpp h ARG 31 Cb 0.52 -0.07 0.00 0.00 0.00 0.00 0.00 29.97 30.42 2rpp h ARG 31 CO -0.15 0.32 0.00 0.41 0.00 0.00 0.00 179.97 180.55 2rpp n GLY 32 N -1.27 1.18 2.26 0.04 0.00 -0.45 -5.00 105.19 101.95 2rpp n GLY 32 Ca 0.01 -0.14 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 2rpp n GLY 32 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2rpp n THR 33 N -1.92 2.16 -3.39 2.61 5.66 -1.17 -5.00 114.28 113.23 2rpp n THR 33 Ca 0.00 -3.84 -0.44 0.00 -3.05 0.00 0.00 64.05 56.72 2rpp n THR 33 Cb 0.02 -0.41 -0.07 0.00 -1.55 0.00 0.00 70.33 68.32 2rpp n THR 33 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2rpp n SER 35 N 5.17 4.20 -4.12 0.00 7.64 -1.26 -4.76 113.62 120.49 2rpp n SER 35 Ca -0.12 -2.46 -0.33 0.00 1.01 0.00 0.00 58.87 56.96 2rpp n SER 35 Cb 0.42 -0.78 -0.15 0.00 -1.01 0.00 0.00 64.21 62.69 2rpp n SER 35 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2rpp s ARG 36 N -0.69 2.59 0.81 1.43 1.81 -1.26 -5.03 118.95 118.60 2rpp s ARG 36 Ca 0.12 -1.12 -0.12 0.00 -1.72 0.00 0.00 55.73 52.89 2rpp s ARG 36 Cb 0.10 -2.86 0.19 0.00 -0.45 0.00 0.00 34.95 31.93 2rpp s ARG 36 CO 0.01 -0.44 0.44 -1.13 -0.68 0.00 0.00 175.30 173.50 2rpp n SER 37 N 4.55 -2.96 0.08 0.23 3.41 -1.26 -4.34 113.62 113.34 2rpp n SER 37 Ca -0.16 -0.44 -0.14 0.00 -0.26 0.00 0.00 58.87 57.86 2rpp n SER 37 Cb 0.45 -0.56 -0.08 0.00 -0.26 0.00 0.00 64.21 63.76 2rpp n SER 37 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2rpp h ASP 38 N -2.76 0.48 0.49 4.04 5.19 -1.93 -0.35 116.42 121.58 2rpp h ASP 38 Ca -0.20 -0.43 0.00 0.00 -0.62 0.00 0.00 57.03 55.78 2rpp h ASP 38 Cb 0.67 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.03 2rpp h ASP 38 CO 0.12 1.27 -0.28 -0.62 -3.12 0.00 0.00 179.24 176.61 2rpp n GLU 39 N -3.66 0.35 -0.11 3.56 1.02 -1.26 -4.21 120.64 116.32 2rpp n GLU 39 Ca -0.07 -0.16 -0.21 0.00 -0.02 0.00 0.00 57.16 56.69 2rpp n GLU 39 Cb 0.91 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.76 2rpp n GLU 39 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2rpp n GLU 40 N -1.19 0.53 -2.08 3.49 1.02 -1.20 -4.96 120.64 116.25 2rpp n GLU 40 Ca 0.09 0.22 -0.42 0.00 -0.02 0.00 0.00 57.16 57.04 2rpp n GLU 40 Cb 0.32 -1.39 -0.03 0.00 -0.02 0.00 0.00 31.44 30.32 2rpp n GLU 40 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2rpp n LYS 42 N 3.03 1.31 -4.21 0.00 4.01 -1.26 -4.83 118.16 116.22 2rpp n LYS 42 Ca 0.09 -0.59 -0.12 0.00 -0.51 0.00 0.00 58.31 57.18 2rpp n LYS 42 Cb 0.41 -1.29 -0.10 0.00 -0.51 0.00 0.00 35.03 33.54 2rpp n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 2rpp s PHE 43 N -0.74 1.10 -0.10 2.13 0.40 -1.26 -5.04 117.98 114.47 2rpp s PHE 43 Ca 0.11 -1.18 -0.06 0.00 -0.60 0.00 0.00 56.93 55.19 2rpp s PHE 43 Cb 0.09 -0.61 -0.04 0.00 0.51 0.00 0.00 43.02 42.97 2rpp s PHE 43 CO 0.02 -0.42 0.14 0.00 0.70 0.00 0.00 175.22 175.67 2rpp s ALA 44 N -3.91 3.88 -0.47 5.36 0.00 -1.23 -4.90 121.76 120.50 2rpp s ALA 44 Ca 0.28 -0.66 0.04 0.00 0.00 0.00 0.00 51.96 51.62 2rpp s ALA 44 Cb 0.07 -1.95 0.12 0.00 0.00 0.00 0.00 23.12 21.36 2rpp s ALA 44 CO 0.05 0.64 0.21 -1.01 0.00 0.00 0.00 175.76 175.65 2rpp s HIS 45 N -1.07 3.21 0.17 0.00 0.09 -1.26 -3.08 115.29 113.36 2rpp s HIS 45 Ca 0.17 -3.06 -0.30 0.00 -0.00 0.00 0.00 55.06 51.86 2rpp s HIS 45 Cb -0.12 -2.76 -0.08 0.00 -0.00 0.00 0.00 32.58 29.61 2rpp s HIS 45 CO 0.06 -0.80 1.32 -1.25 -0.00 0.00 0.00 174.74 174.07 2rpp s PRO 46 N 0.07 4.38 1.07 8.40 0.04 -1.26 -5.01 135.00 142.69 2rpp s PRO 46 Ca 0.15 2.04 -0.14 0.00 0.04 0.00 0.00 61.00 63.09 2rpp s PRO 46 Cb -0.24 -3.21 0.22 0.00 0.04 0.00 0.00 34.50 31.31 2rpp s PRO 46 CO -0.02 -0.29 1.10 -1.25 0.04 0.00 0.00 177.00 176.58 2rpp s PRO 47 N 0.19 -0.12 0.16 0.56 0.04 -1.26 -4.92 135.00 129.66 2rpp s PRO 47 Ca 0.58 0.33 -0.15 0.00 0.04 0.00 0.00 61.00 61.81 2rpp s PRO 47 Cb -0.36 -1.69 0.05 0.00 0.04 0.00 0.00 34.50 32.54 2rpp s PRO 47 CO 0.36 -3.06 1.81 -0.22 0.04 0.00 0.00 177.00 175.93 2rpp h LYS 48 N -2.12 0.67 -0.86 4.56 3.64 -2.02 -2.60 116.57 117.83 2rpp h LYS 48 Ca -0.52 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 58.86 2rpp h LYS 48 Cb 1.32 -0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 32.94 2rpp h LYS 48 CO 0.51 0.47 0.53 0.77 -2.27 0.00 0.00 179.45 179.47 2rpp h SER 49 N 0.66 0.84 -3.94 4.20 0.02 -1.95 -3.42 113.55 109.97 2rpp h SER 49 Ca 0.18 0.01 -0.52 0.00 -0.84 0.00 0.00 61.79 60.63 2rpp h SER 49 Cb -0.03 -0.16 0.07 0.00 0.14 0.00 0.00 62.40 62.41 2rpp h SER 49 CO -0.04 0.54 0.55 0.00 -1.14 0.00 0.00 176.83 176.75 2rpp s GLN 51 N -2.24 4.29 -0.17 0.00 -0.21 -0.68 -4.74 119.66 115.91 2rpp s GLN 51 Ca 0.57 0.94 -0.12 0.00 0.02 0.00 0.00 55.36 56.76 2rpp s GLN 51 Cb -0.34 -3.57 -0.05 0.00 1.00 0.00 0.00 33.01 30.05 2rpp s GLN 51 CO 0.44 -0.29 0.22 0.08 -2.12 0.00 0.00 175.29 173.62 2rpp s VAL 52 N 2.03 5.35 0.70 1.09 1.01 -1.26 -4.50 120.40 124.82 2rpp s VAL 52 Ca 0.36 0.38 -0.07 0.00 0.00 0.00 0.00 61.98 62.66 2rpp s VAL 52 Cb -0.16 -3.55 0.05 0.00 0.00 0.00 0.00 36.38 32.71 2rpp s VAL 52 CO 0.12 0.42 1.02 -1.61 0.00 0.00 0.00 175.10 175.05 2rpp s GLU 53 N 0.33 2.32 -0.40 2.72 0.41 0.57 -4.93 118.70 119.71 2rpp s GLU 53 Ca 0.13 -0.15 -0.31 0.00 -0.41 0.00 0.00 54.97 54.23 2rpp s GLU 53 Cb -0.12 -2.16 -0.10 0.00 -1.78 0.00 0.00 34.13 29.97 2rpp s GLU 53 CO 0.01 -1.18 2.29 0.27 -0.49 0.00 0.00 175.26 176.17 2rpp n ASN 54 N -2.91 2.28 -1.11 -0.19 0.23 -1.26 -1.11 115.26 111.19 2rpp n ASN 54 Ca 0.07 0.14 -0.12 0.00 -0.53 0.00 0.00 54.58 54.14 2rpp n ASN 54 Cb 0.60 -1.37 -0.05 0.00 -2.08 0.00 0.00 39.78 36.87 2rpp n ASN 54 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2rpp n GLY 55 N 6.25 1.13 3.58 4.83 0.00 -1.26 -4.87 105.19 114.84 2rpp n GLY 55 Ca 0.40 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.33 2rpp n GLY 55 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2rpp s ARG 56 N -2.89 1.46 -0.03 1.61 3.52 -0.27 -4.35 118.95 118.01 2rpp s ARG 56 Ca 0.00 -0.94 -0.05 0.00 -0.13 0.00 0.00 55.73 54.61 2rpp s ARG 56 Cb 0.00 0.52 0.01 0.00 -1.56 0.00 0.00 34.95 33.92 2rpp s ARG 56 CO 0.00 -0.63 0.12 0.54 -0.81 0.00 0.00 175.30 174.53 2rpp s VAL 57 N -3.90 0.03 0.13 7.11 0.11 -1.16 0.21 120.40 122.93 2rpp s VAL 57 Ca 0.12 -0.23 -0.16 0.00 -2.93 0.00 0.00 61.98 58.78 2rpp s VAL 57 Cb -0.02 -0.25 -0.07 0.00 -1.53 0.00 0.00 36.38 34.51 2rpp s VAL 57 CO 0.00 -0.13 0.57 -0.63 -3.33 0.00 0.00 175.10 171.58 2rpp s ILE 58 N -0.38 4.81 0.38 7.04 1.01 -1.26 -1.75 121.20 131.05 2rpp s ILE 58 Ca -0.05 0.96 0.00 0.00 0.00 0.00 0.00 60.65 61.56 2rpp s ILE 58 Cb -0.03 -3.78 -0.02 0.00 0.01 0.00 0.00 42.46 38.63 2rpp s ILE 58 CO 0.00 0.32 0.60 0.00 0.00 0.00 0.00 174.94 175.86 2rpp s ALA 59 N -1.38 3.70 0.35 9.38 0.00 0.38 -2.85 121.76 131.34 2rpp s ALA 59 Ca 0.36 -0.93 -0.17 0.00 0.00 0.00 0.00 51.96 51.22 2rpp s ALA 59 Cb -0.16 -2.14 -0.09 0.00 0.00 0.00 0.00 23.12 20.72 2rpp s ALA 59 CO 0.19 -0.14 0.79 0.00 0.00 0.00 0.00 175.76 176.60 2rpp h PHE 61 N 2.22 0.00 -0.24 0.00 3.57 -1.96 -3.34 116.94 117.19 2rpp h PHE 61 Ca -0.48 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.06 2rpp h PHE 61 Cb 1.18 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.88 2rpp h PHE 61 CO 0.62 0.54 -0.02 -0.44 -2.23 0.00 0.00 178.31 176.78 2rpp h ASP 62 N -1.00 -0.13 -0.98 0.41 5.19 -1.95 -2.17 116.42 115.79 2rpp h ASP 62 Ca -0.02 0.06 0.32 0.00 -0.62 0.00 0.00 57.03 56.77 2rpp h ASP 62 Cb 0.56 0.11 -0.18 0.00 0.18 0.00 0.00 39.33 40.01 2rpp h ASP 62 CO -0.02 -0.04 0.25 0.77 -3.12 0.00 0.00 179.24 177.09 2rpp h SER 63 N 0.05 -0.11 -0.94 6.45 4.64 -1.81 0.78 113.55 122.62 2rpp h SER 63 Ca 0.12 0.26 0.25 0.00 -0.47 0.00 0.00 61.79 61.95 2rpp h SER 63 Cb 0.16 0.38 -0.13 0.00 -0.31 0.00 0.00 62.40 62.49 2rpp h SER 63 CO -0.21 -0.36 0.44 -0.07 -0.87 0.00 0.00 176.83 175.76 2rpp h LEU 64 N 0.04 0.36 -1.11 5.97 3.38 -1.51 0.82 115.31 123.27 2rpp h LEU 64 Ca 0.69 0.17 -0.09 0.00 0.09 0.00 0.00 57.88 58.74 2rpp h LEU 64 Cb 1.59 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.48 2rpp h LEU 64 CO -0.83 -0.05 -0.43 0.11 0.09 0.00 0.00 178.44 177.32 2rpp h LYS 65 N 0.37 0.03 0.00 1.13 6.56 0.47 -3.47 116.57 121.66 2rpp h LYS 65 Ca 0.62 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 60.19 2rpp h LYS 65 Cb 1.26 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.92 2rpp h LYS 65 CO -0.57 0.46 0.00 0.41 -2.06 0.00 0.00 179.45 177.69 2rpp n GLY 66 N -0.27 1.73 2.81 3.86 0.00 0.29 -5.06 105.19 108.54 2rpp n GLY 66 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 2rpp n GLY 66 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rpp s ARG 67 N -0.30 1.01 0.08 1.61 1.81 -1.26 -4.97 118.95 116.94 2rpp s ARG 67 Ca 0.00 -0.82 0.01 0.00 -1.72 0.00 0.00 55.73 53.20 2rpp s ARG 67 Cb 0.00 -2.28 -0.04 0.00 -0.45 0.00 0.00 34.95 32.18 2rpp s ARG 67 CO 0.00 -0.72 0.23 0.00 -0.68 0.00 0.00 175.30 174.12 2rpp n SER 69 N 0.08 1.00 -3.43 0.00 2.88 -1.26 -5.00 113.62 107.90 2rpp n SER 69 Ca -0.06 0.17 -0.49 0.00 -1.33 0.00 0.00 58.87 57.17 2rpp n SER 69 Cb 0.52 -0.41 -0.08 0.00 -0.75 0.00 0.00 64.21 63.49 2rpp n SER 69 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2rpp n ARG 70 N -3.64 0.00 0.00 -1.46 1.74 -1.26 -4.85 116.66 107.19 2rpp n ARG 70 Ca -0.24 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.84 2rpp n ARG 70 Cb 0.64 -1.12 0.00 0.00 -1.02 0.00 0.00 32.46 30.96 2rpp n ARG 70 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2rpp n GLU 71 N 3.86 0.00 -0.58 5.56 0.00 -1.26 -3.12 120.64 125.10 2rpp n GLU 71 Ca 0.29 0.38 -0.10 0.00 0.00 0.00 0.00 57.16 57.73 2rpp n GLU 71 Cb -0.04 -1.38 0.05 0.00 0.00 0.00 0.00 31.44 30.07 2rpp n GLU 71 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 2rpp n ASN 72 N -1.63 4.58 -3.20 4.31 2.85 -1.26 -4.95 115.26 115.95 2rpp n ASN 72 Ca 0.00 -2.69 -0.45 0.00 -0.11 0.00 0.00 54.58 51.32 2rpp n ASN 72 Cb 0.00 -0.83 -0.08 0.00 1.24 0.00 0.00 39.78 40.11 2rpp n ASN 72 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2rpp n LYS 74 N 4.44 0.76 -3.81 0.00 2.85 -1.26 -4.52 118.16 116.62 2rpp n LYS 74 Ca 0.33 0.01 -0.37 0.00 -1.05 0.00 0.00 58.31 57.23 2rpp n LYS 74 Cb -0.03 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 32.78 2rpp n LYS 74 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2rpp s TYR 75 N -2.18 3.56 0.43 5.58 1.51 -1.26 -1.68 117.35 123.31 2rpp s TYR 75 Ca 0.39 0.52 -0.22 0.00 -1.01 0.00 0.00 57.07 56.75 2rpp s TYR 75 Cb 0.20 -2.03 -0.10 0.00 -0.11 0.00 0.00 41.96 39.92 2rpp s TYR 75 CO 0.37 0.62 0.97 -1.17 -1.11 0.00 0.00 175.55 175.23 2rpp s LEU 76 N -0.67 3.98 -0.59 -1.29 2.96 -1.13 -4.53 118.68 117.41 2rpp s LEU 76 Ca 0.14 1.77 -0.12 0.00 -0.22 0.00 0.00 54.13 55.70 2rpp s LEU 76 Cb -0.12 -4.46 0.15 0.00 0.50 0.00 0.00 46.19 42.26 2rpp s LEU 76 CO 0.03 -0.41 0.50 -1.00 -1.32 0.00 0.00 176.35 174.16 2rpp s HIS 77 N -2.04 3.43 0.51 5.38 3.76 -1.26 -0.39 115.29 124.68 2rpp s HIS 77 Ca 0.61 -1.75 -0.21 0.00 -0.15 0.00 0.00 55.06 53.56 2rpp s HIS 77 Cb -0.12 -3.66 -0.06 0.00 1.11 0.00 0.00 32.58 29.85 2rpp s HIS 77 CO 0.16 -0.99 1.14 -1.25 -0.85 0.00 0.00 174.74 172.95 2rpp s PRO 78 N 1.08 3.50 1.02 8.40 0.04 -1.26 -5.03 135.00 142.76 2rpp s PRO 78 Ca 0.08 1.67 -0.13 0.00 0.04 0.00 0.00 61.00 62.67 2rpp s PRO 78 Cb -0.24 -2.15 0.20 0.00 0.04 0.00 0.00 34.50 32.35 2rpp s PRO 78 CO -0.01 -0.74 1.09 -1.25 0.04 0.00 0.00 177.00 176.13 2rpp s PRO 79 N -3.07 0.25 0.06 0.56 0.04 -1.26 -4.70 135.00 126.88 2rpp s PRO 79 Ca 0.69 0.46 -0.35 0.00 0.04 0.00 0.00 61.00 61.84 2rpp s PRO 79 Cb -0.26 -1.72 -0.20 0.00 0.04 0.00 0.00 34.50 32.36 2rpp s PRO 79 CO 0.30 -2.84 1.55 1.15 0.04 0.00 0.00 177.00 177.19 2rpp h THR 80 N -1.97 0.11 -0.49 1.26 2.02 -1.96 0.34 112.91 112.23 2rpp h THR 80 Ca -0.55 -0.03 0.14 0.00 0.77 0.00 0.00 66.41 66.74 2rpp h THR 80 Cb 1.33 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 2rpp h THR 80 CO 0.57 0.00 0.89 1.12 0.37 0.00 0.00 175.52 178.47 2rpp h HIS 81 N -1.22 0.00 0.05 3.16 2.07 -1.97 0.49 115.15 117.73 2rpp h HIS 81 Ca -0.12 0.00 -0.38 0.00 -2.85 0.00 0.00 60.37 57.02 2rpp h HIS 81 Cb 0.91 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.85 2rpp h HIS 81 CO -0.01 0.00 -2.28 1.28 -3.07 0.00 0.00 177.93 173.86 2rpp n LEU 82 N -3.07 2.78 -0.31 6.12 4.77 -0.83 -4.49 117.00 121.98 2rpp n LEU 82 Ca 0.10 0.02 -0.05 0.00 -0.03 0.00 0.00 56.01 56.06 2rpp n LEU 82 Cb 1.05 -0.99 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 2rpp n LEU 82 CO 0.16 0.88 0.40 1.17 -1.33 0.00 0.00 177.39 178.67 2rpp n LYS 83 N -3.42 -0.26 -0.29 3.23 4.81 0.17 0.15 118.16 122.55 2rpp n LYS 83 Ca -0.41 1.16 0.11 0.00 -0.87 0.00 0.00 58.31 58.30 2rpp n LYS 83 Cb 1.00 -1.71 0.25 0.00 0.02 0.00 0.00 35.03 34.59 2rpp n LYS 83 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 2rpp h THR 84 N 0.00 0.28 -0.79 3.15 2.02 -1.77 0.20 112.91 116.01 2rpp h THR 84 Ca 0.19 -0.05 0.19 0.00 0.77 0.00 0.00 66.41 67.51 2rpp h THR 84 Cb 0.38 0.12 -0.13 0.00 -1.74 0.00 0.00 68.15 66.78 2rpp h THR 84 CO -0.73 0.03 0.12 -0.61 0.37 0.00 0.00 175.52 174.70 2rpp h GLN 85 N 0.15 0.18 -0.72 6.66 4.15 0.11 0.13 115.11 125.76 2rpp h GLN 85 Ca 0.52 -0.01 0.15 0.00 0.77 0.00 0.00 58.65 60.08 2rpp h GLN 85 Cb 1.01 -0.04 -0.10 0.00 0.21 0.00 0.00 27.48 28.56 2rpp h GLN 85 CO -0.69 0.12 0.18 -0.07 -1.93 0.00 0.00 178.83 176.44 2rpp h LEU 86 N 0.18 0.04 -0.79 -2.39 3.38 -0.53 0.66 115.31 115.86 2rpp h LEU 86 Ca 0.45 0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.61 2rpp h LEU 86 Cb 0.83 0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.70 2rpp h LEU 86 CO -0.62 -0.01 0.49 -0.33 0.09 0.00 0.00 178.44 178.06 2rpp h GLU 87 N 0.29 0.88 -0.03 1.13 5.08 -0.77 -2.68 114.58 118.47 2rpp h GLU 87 Ca 0.40 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.70 2rpp h GLU 87 Cb 0.66 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 2rpp h GLU 87 CO -0.48 0.58 0.01 0.82 -1.00 0.00 0.00 179.01 178.94 2rpp h ILE 88 N 0.90 1.16 -6.68 3.13 2.04 -0.70 -3.47 117.51 113.90 2rpp h ILE 88 Ca 0.34 -0.48 -0.54 0.00 1.00 0.00 0.00 64.86 65.18 2rpp h ILE 88 Cb 0.13 1.43 -0.08 0.00 -0.74 0.00 0.00 36.82 37.57 2rpp h ILE 88 CO -0.16 0.13 -0.93 -0.46 0.00 0.00 0.00 178.15 176.73 2rpp n ASN 89 N -4.97 -0.83 -4.08 1.72 0.23 -0.38 -4.85 115.26 102.10 2rpp n ASN 89 Ca -0.07 -1.11 -0.36 0.00 -0.53 0.00 0.00 54.58 52.50 2rpp n ASN 89 Cb 0.12 -2.55 0.06 0.00 -2.08 0.00 0.00 39.78 35.34 2rpp n ASN 89 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2rpp n SER 90 N -2.85 -3.75 0.00 0.53 3.41 -1.26 -4.99 113.62 104.71 2rpp n SER 90 Ca -0.28 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 2rpp n SER 90 Cb 0.67 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 2rpp n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rpp n GLY 91 N 3.07 -0.15 0.00 5.00 0.00 -1.26 -4.87 105.19 106.98 2rpp n GLY 91 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.07 2rpp n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2rpp n PRO 92 N -2.00 0.49 -0.28 1.61 -0.04 -1.26 -4.14 135.00 129.38 2rpp n PRO 92 Ca 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.39 2rpp n PRO 92 Cb 0.00 -1.36 -0.07 0.00 -0.04 0.00 0.00 33.50 32.03 2rpp n PRO 92 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2rpp n SER 93 N -0.86 -0.69 -2.84 3.54 2.88 -1.26 -4.83 113.62 109.56 2rpp n SER 93 Ca 0.08 1.28 -0.14 0.00 -1.33 0.00 0.00 58.87 58.76 2rpp n SER 93 Cb 0.04 -0.21 0.07 0.00 -0.75 0.00 0.00 64.21 63.36 2rpp n SER 93 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2rpp n SER 94 N -4.63 -2.95 0.00 -3.46 7.64 -1.26 -5.25 113.62 103.71 2rpp n SER 94 Ca 0.01 -0.45 0.00 0.00 1.01 0.00 0.00 58.87 59.44 2rpp n SER 94 Cb 0.17 -3.98 0.00 0.00 -1.01 0.00 0.00 64.21 59.39 2rpp n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64