#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 6.12 0.10 1.61 0.01 -1.26 -4.95 113.70 115.34 2rpp s SER 8 Ca 0.00 1.47 -0.35 0.00 1.31 0.00 0.00 55.95 58.38 2rpp s SER 8 Cb 0.00 -2.48 -0.18 0.00 0.21 0.00 0.00 66.02 63.57 2rpp s SER 8 CO 0.00 -0.94 0.98 -0.24 0.41 0.00 0.00 173.24 173.45 2rpp n SER 9 N -2.71 0.19 -4.49 2.44 2.88 -1.26 -4.95 113.62 105.71 2rpp n SER 9 Ca 0.06 1.15 -0.31 0.00 -1.33 0.00 0.00 58.87 58.43 2rpp n SER 9 Cb 0.54 -1.03 -0.12 0.00 -0.75 0.00 0.00 64.21 62.85 2rpp n SER 9 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2rpp s GLY 10 N -0.21 1.61 0.09 0.46 0.00 -1.26 -5.12 107.32 102.88 2rpp s GLY 10 Ca 0.79 -1.12 -0.10 0.00 0.00 0.00 0.00 44.72 44.29 2rpp s GLY 10 CO 0.55 -0.99 0.42 -0.45 0.00 0.00 0.00 173.10 172.62 2rpp s SER 11 N -1.33 6.65 0.53 1.64 0.15 -1.26 -5.10 113.70 114.98 2rpp s SER 11 Ca 0.15 0.81 -0.01 0.00 0.70 0.00 0.00 55.95 57.60 2rpp s SER 11 Cb -0.11 -2.18 0.02 0.00 -1.71 0.00 0.00 66.02 62.04 2rpp s SER 11 CO 0.05 0.15 0.77 -0.94 1.20 0.00 0.00 173.24 174.48 2rpp s SER 12 N -1.80 5.47 -0.04 5.45 1.04 -1.26 -5.01 113.70 117.55 2rpp s SER 12 Ca 0.34 0.21 -0.30 0.00 0.48 0.00 0.00 55.95 56.69 2rpp s SER 12 Cb -0.14 -1.22 -0.06 0.00 0.10 0.00 0.00 66.02 64.70 2rpp s SER 12 CO 0.19 -1.01 1.77 -0.83 0.98 0.00 0.00 173.24 174.33 2rpp s GLY 13 N -4.35 1.46 0.66 7.32 0.00 -1.26 -4.97 107.32 106.18 2rpp s GLY 13 Ca 0.54 1.04 -0.15 0.00 0.00 0.00 0.00 44.72 46.15 2rpp s GLY 13 CO 0.39 3.20 1.11 2.56 0.00 0.00 0.00 173.10 180.37 2rpp s PRO 14 N 4.28 2.81 -0.10 2.90 0.04 -1.26 -4.99 135.00 138.68 2rpp s PRO 14 Ca 0.79 1.40 0.10 0.00 0.04 0.00 0.00 61.00 63.33 2rpp s PRO 14 Cb -0.36 -1.95 -0.15 0.00 0.04 0.00 0.00 34.50 32.08 2rpp s PRO 14 CO 0.34 -1.24 0.07 1.33 0.04 0.00 0.00 177.00 177.53 2rpp n VAL 15 N -2.39 0.69 -1.56 -0.36 0.24 -1.26 -4.62 118.33 109.07 2rpp n VAL 15 Ca 0.10 -0.46 -0.29 0.00 -2.04 0.00 0.00 64.34 61.66 2rpp n VAL 15 Cb 0.52 -0.59 -0.05 0.00 -1.47 0.00 0.00 33.84 32.25 2rpp n VAL 15 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2rpp n ARG 16 N -2.36 2.66 -1.43 7.34 1.85 -1.26 -4.99 116.66 118.46 2rpp n ARG 16 Ca -0.17 -2.50 -0.45 0.00 -1.00 0.00 0.00 57.85 53.73 2rpp n ARG 16 Cb 0.81 -2.20 -0.01 0.00 -1.05 0.00 0.00 32.46 30.00 2rpp n ARG 16 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2rpp n ASP 17 N 0.92 -0.98 -3.19 2.89 9.92 -1.26 -4.85 116.55 120.00 2rpp n ASP 17 Ca 0.50 1.04 -0.39 0.00 -0.53 0.00 0.00 54.79 55.41 2rpp n ASP 17 Cb 0.51 -1.03 0.02 0.00 -0.64 0.00 0.00 41.12 39.98 2rpp n ASP 17 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2rpp n THR 18 N -0.31 4.62 -0.07 -3.53 -1.04 -1.26 -4.53 114.28 108.16 2rpp n THR 18 Ca 0.14 -4.82 -0.22 0.00 -2.04 0.00 0.00 64.05 57.11 2rpp n THR 18 Cb 0.32 -1.44 -0.12 0.00 -1.82 0.00 0.00 70.33 67.27 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 -0.11 0.68 -0.07 -2.82 3.00 -1.26 -4.24 118.16 113.34 2rpp n LYS 19 Ca 0.51 0.28 0.18 0.00 -0.00 0.00 0.00 58.31 59.28 2rpp n LYS 19 Cb 0.27 -1.63 0.61 0.00 0.00 0.00 0.00 35.03 34.27 2rpp n LYS 19 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.40 177.51 2rpp h TRP 20 N -0.25 0.22 -1.33 5.64 5.08 -1.98 -3.28 115.95 120.05 2rpp h TRP 20 Ca -0.49 0.01 -0.70 0.00 1.08 0.00 0.00 58.89 58.79 2rpp h TRP 20 Cb 1.83 -0.07 -0.11 0.00 -3.00 0.00 0.00 29.16 27.80 2rpp h TRP 20 CO 0.05 0.09 1.88 -0.51 -1.28 0.00 0.00 178.44 178.66 2rpp s LEU 21 N -9.02 4.25 0.02 0.11 1.43 -1.26 -4.93 118.68 109.28 2rpp s LEU 21 Ca -0.06 -2.59 0.00 0.00 -1.03 0.00 0.00 54.13 50.45 2rpp s LEU 21 Cb 0.20 -2.52 -0.02 0.00 0.03 0.00 0.00 46.19 43.89 2rpp s LEU 21 CO 0.75 -1.04 -0.03 0.42 0.23 0.00 0.00 176.35 176.67 2rpp s THR 22 N 3.36 0.17 -0.06 5.49 -4.23 -1.24 -3.54 115.64 115.59 2rpp s THR 22 Ca 0.50 -0.75 -0.05 0.00 -1.18 0.00 0.00 61.69 60.21 2rpp s THR 22 Cb 0.01 -0.28 0.01 0.00 1.34 0.00 0.00 72.50 73.59 2rpp s THR 22 CO 0.04 -0.37 0.15 -0.76 -0.54 0.00 0.00 174.62 173.15 2rpp s LEU 23 N -1.16 1.42 -0.19 4.79 1.43 0.31 -4.88 118.68 120.41 2rpp s LEU 23 Ca -0.11 0.30 -0.29 0.00 -1.03 0.00 0.00 54.13 52.99 2rpp s LEU 23 Cb -0.08 0.52 -0.03 0.00 0.03 0.00 0.00 46.19 46.64 2rpp s LEU 23 CO -0.01 -0.06 1.50 -0.70 0.23 0.00 0.00 176.35 177.32 2rpp s GLU 24 N 0.06 3.98 0.02 1.70 2.12 -1.26 -1.89 118.70 123.42 2rpp s GLU 24 Ca -0.00 1.70 -0.30 0.00 0.36 0.00 0.00 54.97 56.72 2rpp s GLU 24 Cb -0.01 -3.95 -0.06 0.00 0.26 0.00 0.00 34.13 30.37 2rpp s GLU 24 CO 0.00 -1.06 1.39 0.08 -0.54 0.00 0.00 175.26 175.13 2rpp s VAL 25 N 4.50 3.67 -0.25 3.70 1.01 -1.26 -3.77 120.40 128.00 2rpp s VAL 25 Ca 0.66 1.09 -0.34 0.00 0.00 0.00 0.00 61.98 63.40 2rpp s VAL 25 Cb -0.25 -3.70 -0.10 0.00 0.00 0.00 0.00 36.38 32.33 2rpp s VAL 25 CO 0.25 0.02 2.09 0.00 0.00 0.00 0.00 175.10 177.46 2rpp h ARG 27 N 11.79 -0.52 -0.42 0.00 2.43 -1.94 -1.92 114.38 123.80 2rpp h ARG 27 Ca -0.37 0.04 0.08 0.00 -0.81 0.00 0.00 59.98 58.92 2rpp h ARG 27 Cb 1.29 0.12 -0.09 0.00 -0.42 0.00 0.00 29.97 30.87 2rpp h ARG 27 CO 0.99 -0.34 -0.29 1.96 -1.51 0.00 0.00 179.97 180.77 2rpp h GLN 28 N -0.54 -0.20 -0.87 0.20 4.20 -1.89 -1.58 115.11 114.43 2rpp h GLN 28 Ca 0.04 0.01 0.14 0.00 0.06 0.00 0.00 58.65 58.91 2rpp h GLN 28 Cb 0.66 0.05 -0.15 0.00 0.30 0.00 0.00 27.48 28.34 2rpp h GLN 28 CO -0.48 -0.13 -0.37 0.35 -0.67 0.00 0.00 178.83 177.53 2rpp h PHE 29 N -0.21 -1.04 -0.31 2.96 3.57 -1.67 0.66 116.94 120.91 2rpp h PHE 29 Ca 0.19 0.10 0.07 0.00 3.53 0.00 0.00 57.97 61.85 2rpp h PHE 29 Cb 0.51 0.58 -0.08 0.00 2.79 0.00 0.00 35.95 39.75 2rpp h PHE 29 CO -0.52 -0.40 -0.30 1.96 -2.23 0.00 0.00 178.31 176.82 2rpp h GLN 30 N -0.05 -0.27 0.00 1.11 1.08 -0.82 0.15 115.11 116.31 2rpp h GLN 30 Ca 0.31 0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.50 2rpp h GLN 30 Cb 0.58 0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 28.07 2rpp h GLN 30 CO -0.90 -0.18 -0.16 0.00 -0.95 0.00 0.00 178.83 176.65 2rpp h ARG 31 N -0.28 0.00 -0.30 1.46 3.08 -0.65 -3.46 114.38 114.22 2rpp h ARG 31 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2rpp h ARG 31 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 2rpp h ARG 31 CO -0.47 0.16 0.00 0.41 -1.07 0.00 0.00 179.97 179.00 2rpp n GLY 32 N -0.42 1.08 2.29 0.04 0.00 0.21 -5.01 105.19 103.37 2rpp n GLY 32 Ca -0.01 -0.31 -0.06 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.40 1.50 -3.63 2.61 5.66 -0.80 -4.98 114.28 113.24 2rpp n THR 33 Ca 0.00 -3.04 -0.39 0.00 -3.05 0.00 0.00 64.05 57.57 2rpp n THR 33 Cb 0.21 0.50 -0.09 0.00 -1.55 0.00 0.00 70.33 69.40 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 4.79 2.70 -4.46 0.00 2.88 -1.26 -4.80 113.62 113.47 2rpp n SER 35 Ca -0.06 -2.34 -0.37 0.00 -1.33 0.00 0.00 58.87 54.77 2rpp n SER 35 Cb 0.41 -0.57 -0.12 0.00 -0.75 0.00 0.00 64.21 63.18 2rpp n SER 35 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2rpp s ARG 36 N -1.24 3.62 1.11 -1.46 1.81 -1.26 -5.04 118.95 116.49 2rpp s ARG 36 Ca 0.15 -0.51 -0.15 0.00 -1.72 0.00 0.00 55.73 53.50 2rpp s ARG 36 Cb 0.12 -3.42 0.19 0.00 -0.45 0.00 0.00 34.95 31.39 2rpp s ARG 36 CO 0.04 -0.24 0.59 0.43 -0.68 0.00 0.00 175.30 175.44 2rpp n SER 37 N 4.95 -1.84 0.21 0.23 7.64 -1.26 -4.36 113.62 119.19 2rpp n SER 37 Ca -0.15 -0.05 0.06 0.00 1.01 0.00 0.00 58.87 59.74 2rpp n SER 37 Cb 0.51 -1.16 0.46 0.00 -1.01 0.00 0.00 64.21 63.01 2rpp n SER 37 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2rpp h ASP 38 N -2.29 0.00 0.09 6.43 5.19 -1.94 0.23 116.42 124.12 2rpp h ASP 38 Ca -0.55 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.86 2rpp h ASP 38 Cb 1.33 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.84 2rpp h ASP 38 CO 0.43 0.29 -0.30 -0.62 -3.12 0.00 0.00 179.24 175.92 2rpp n GLU 39 N -3.82 1.19 -0.08 3.56 1.02 -1.26 -4.44 120.64 116.81 2rpp n GLU 39 Ca -0.01 -0.86 -0.14 0.00 -0.02 0.00 0.00 57.16 56.12 2rpp n GLU 39 Cb 0.38 -1.48 -0.05 0.00 -0.02 0.00 0.00 31.44 30.27 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 -0.15 0.40 -1.78 3.49 -0.58 -0.85 -4.99 120.64 116.18 2rpp n GLU 40 Ca 0.12 0.17 -0.41 0.00 -0.42 0.00 0.00 57.16 56.61 2rpp n GLU 40 Cb 0.42 -1.19 -0.01 0.00 -0.57 0.00 0.00 31.44 30.09 2rpp n GLU 40 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2rpp n LYS 42 N 1.44 1.60 -4.30 0.00 5.02 -1.26 -4.85 118.16 115.81 2rpp n LYS 42 Ca 0.05 -0.91 -0.16 0.00 -2.02 0.00 0.00 58.31 55.27 2rpp n LYS 42 Cb 0.38 -1.46 -0.10 0.00 -0.02 0.00 0.00 35.03 33.83 2rpp n LYS 42 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2rpp s PHE 43 N -1.14 1.46 -0.15 2.13 0.40 -1.26 -5.05 117.98 114.37 2rpp s PHE 43 Ca 0.17 -1.05 -0.08 0.00 -0.60 0.00 0.00 56.93 55.36 2rpp s PHE 43 Cb 0.14 -0.85 -0.04 0.00 0.51 0.00 0.00 43.02 42.77 2rpp s PHE 43 CO 0.04 -0.20 0.15 0.00 0.70 0.00 0.00 175.22 175.90 2rpp s ALA 44 N -3.61 3.80 -0.47 5.36 0.00 -1.25 -4.91 121.76 120.68 2rpp s ALA 44 Ca 0.31 -0.65 0.04 0.00 0.00 0.00 0.00 51.96 51.66 2rpp s ALA 44 Cb 0.07 -2.06 0.12 0.00 0.00 0.00 0.00 23.12 21.25 2rpp s ALA 44 CO 0.09 0.44 0.21 -1.01 0.00 0.00 0.00 175.76 175.49 2rpp s HIS 45 N -0.51 3.28 0.07 0.00 0.09 -1.26 -3.03 115.29 113.93 2rpp s HIS 45 Ca 0.13 -3.11 -0.31 0.00 -0.00 0.00 0.00 55.06 51.77 2rpp s HIS 45 Cb -0.12 -2.81 -0.07 0.00 -0.00 0.00 0.00 32.58 29.58 2rpp s HIS 45 CO 0.02 -0.79 1.40 -1.25 -0.00 0.00 0.00 174.74 174.11 2rpp s PRO 46 N 0.03 4.31 0.77 8.40 0.04 -1.26 -5.00 135.00 142.28 2rpp s PRO 46 Ca 0.15 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 63.12 2rpp s PRO 46 Cb -0.24 -3.38 0.05 0.00 0.04 0.00 0.00 34.50 30.97 2rpp s PRO 46 CO -0.02 -0.49 1.09 -1.25 0.04 0.00 0.00 177.00 176.37 2rpp s PRO 47 N 1.61 2.29 0.18 0.56 0.04 -1.26 -4.87 135.00 133.55 2rpp s PRO 47 Ca 0.64 1.18 -0.23 0.00 0.04 0.00 0.00 61.00 62.64 2rpp s PRO 47 Cb -0.35 -1.90 0.09 0.00 0.04 0.00 0.00 34.50 32.38 2rpp s PRO 47 CO 0.29 -1.62 1.57 -0.22 0.04 0.00 0.00 177.00 177.06 2rpp h LYS 48 N -1.05 -0.15 -0.99 4.56 1.63 -1.99 0.36 116.57 118.94 2rpp h LYS 48 Ca -0.44 0.01 0.19 0.00 -0.85 0.00 0.00 60.65 59.57 2rpp h LYS 48 Cb 1.23 0.03 -0.11 0.00 -0.60 0.00 0.00 32.23 32.79 2rpp h LYS 48 CO 0.51 -0.10 0.59 0.77 -3.45 0.00 0.00 179.45 177.77 2rpp h SER 49 N -0.15 0.74 -4.01 4.20 0.02 -1.94 -3.41 113.55 108.99 2rpp h SER 49 Ca 0.22 0.10 -0.50 0.00 -0.84 0.00 0.00 61.79 60.78 2rpp h SER 49 Cb 0.56 -0.03 0.06 0.00 0.14 0.00 0.00 62.40 63.13 2rpp h SER 49 CO -0.76 0.25 0.46 0.00 -1.14 0.00 0.00 176.83 175.63 2rpp s GLN 51 N -2.79 3.69 -0.01 0.00 2.00 -0.50 -4.68 119.66 117.36 2rpp s GLN 51 Ca 0.64 0.69 0.00 0.00 -2.00 0.00 0.00 55.36 54.70 2rpp s GLN 51 Cb -0.26 -2.16 0.02 0.00 0.80 0.00 0.00 33.01 31.40 2rpp s GLN 51 CO 0.32 -0.40 0.01 0.08 -0.50 0.00 0.00 175.29 174.80 2rpp s VAL 52 N -2.91 -0.00 0.50 1.34 1.01 -1.26 -4.68 120.40 114.40 2rpp s VAL 52 Ca 0.54 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.65 2rpp s VAL 52 Cb -0.11 -0.07 0.02 0.00 0.00 0.00 0.00 36.38 36.22 2rpp s VAL 52 CO 0.45 0.06 0.71 -0.70 0.00 0.00 0.00 175.10 175.62 2rpp s GLU 53 N 0.59 2.70 -0.43 2.72 2.12 0.59 -4.97 118.70 122.02 2rpp s GLU 53 Ca -0.05 -0.81 -0.32 0.00 0.36 0.00 0.00 54.97 54.15 2rpp s GLU 53 Cb -0.07 -2.55 -0.11 0.00 0.26 0.00 0.00 34.13 31.66 2rpp s GLU 53 CO -0.02 -0.54 2.30 -1.71 -0.54 0.00 0.00 175.26 174.75 2rpp n ASN 54 N -2.19 2.13 -1.51 -1.70 5.15 -1.26 -0.94 115.26 114.94 2rpp n ASN 54 Ca 0.06 0.17 -0.15 0.00 -0.60 0.00 0.00 54.58 54.07 2rpp n ASN 54 Cb 0.59 -1.33 -0.06 0.00 -0.53 0.00 0.00 39.78 38.45 2rpp n ASN 54 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2rpp n GLY 55 N 6.33 1.24 3.52 8.20 0.00 -1.26 -4.88 105.19 118.34 2rpp n GLY 55 Ca 0.41 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.34 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 -3.39 1.39 -0.04 1.61 3.52 -0.12 -4.18 118.95 117.74 2rpp s ARG 56 Ca 0.00 -0.77 -0.09 0.00 -0.13 0.00 0.00 55.73 54.74 2rpp s ARG 56 Cb 0.00 0.55 0.01 0.00 -1.56 0.00 0.00 34.95 33.95 2rpp s ARG 56 CO 0.00 -0.60 0.21 0.54 -0.81 0.00 0.00 175.30 174.64 2rpp s VAL 57 N -3.84 0.04 0.06 7.11 0.11 -0.79 0.22 120.40 123.30 2rpp s VAL 57 Ca 0.07 -0.36 -0.12 0.00 -2.93 0.00 0.00 61.98 58.64 2rpp s VAL 57 Cb -0.01 -0.42 -0.06 0.00 -1.53 0.00 0.00 36.38 34.36 2rpp s VAL 57 CO -0.05 -0.20 0.42 -0.63 -3.33 0.00 0.00 175.10 171.32 2rpp s ILE 58 N -0.74 5.04 0.30 7.04 1.01 -1.26 -0.53 121.20 132.06 2rpp s ILE 58 Ca -0.08 0.66 -0.03 0.00 0.00 0.00 0.00 60.65 61.19 2rpp s ILE 58 Cb -0.05 -3.68 -0.05 0.00 0.01 0.00 0.00 42.46 38.69 2rpp s ILE 58 CO 0.02 0.40 0.54 0.00 0.00 0.00 0.00 174.94 175.90 2rpp s ALA 59 N -1.28 3.65 0.50 9.38 0.00 -1.23 -3.52 121.76 129.27 2rpp s ALA 59 Ca 0.30 -0.66 -0.18 0.00 0.00 0.00 0.00 51.96 51.42 2rpp s ALA 59 Cb -0.15 -2.24 -0.08 0.00 0.00 0.00 0.00 23.12 20.65 2rpp s ALA 59 CO 0.16 0.19 0.99 0.00 0.00 0.00 0.00 175.76 177.10 2rpp h PHE 61 N 1.14 0.00 -0.17 0.00 3.57 -1.97 -3.34 116.94 116.17 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 1.19 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.89 2rpp h PHE 61 CO 0.62 0.19 -0.07 -0.44 -2.23 0.00 0.00 178.31 176.38 2rpp h ASP 62 N -1.00 -0.24 -0.95 0.41 5.19 -1.95 -2.31 116.42 115.57 2rpp h ASP 62 Ca -0.01 0.06 0.29 0.00 -0.62 0.00 0.00 57.03 56.74 2rpp h ASP 62 Cb 0.27 0.14 -0.18 0.00 0.18 0.00 0.00 39.33 39.75 2rpp h ASP 62 CO -0.01 -0.09 0.10 -1.54 -3.12 0.00 0.00 179.24 174.58 2rpp n SER 63 N -5.22 -0.04 -0.30 6.45 3.41 -1.26 0.11 113.62 116.77 2rpp n SER 63 Ca -0.03 1.61 0.14 0.00 -0.26 0.00 0.00 58.87 60.33 2rpp n SER 63 Cb 0.14 -0.62 0.31 0.00 -0.26 0.00 0.00 64.21 63.78 2rpp n SER 63 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2rpp h LEU 64 N 0.00 0.06 -1.34 1.04 3.38 -1.54 1.00 115.31 117.92 2rpp h LEU 64 Ca 0.62 0.20 -0.07 0.00 0.09 0.00 0.00 57.88 58.71 2rpp h LEU 64 Cb 1.35 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.34 2rpp h LEU 64 CO -0.87 -0.15 -0.32 0.11 0.09 0.00 0.00 178.44 177.30 2rpp h LYS 65 N 0.22 0.02 0.00 1.13 6.56 0.64 -3.47 116.57 121.68 2rpp h LYS 65 Ca 0.57 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 60.16 2rpp h LYS 65 Cb 1.18 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.84 2rpp h LYS 65 CO -0.65 0.34 0.00 0.41 -2.06 0.00 0.00 179.45 177.49 2rpp n GLY 66 N -0.60 1.40 2.81 3.86 0.00 0.35 -5.06 105.19 107.95 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 -0.35 0.99 -0.02 1.61 0.52 -1.26 -4.98 118.95 115.47 2rpp s ARG 67 Ca 0.00 -0.96 -0.03 0.00 -0.52 0.00 0.00 55.73 54.22 2rpp s ARG 67 Cb 0.00 -2.27 -0.04 0.00 0.52 0.00 0.00 34.95 33.16 2rpp s ARG 67 CO 0.00 -0.80 0.18 0.00 0.02 0.00 0.00 175.30 174.71 2rpp n SER 69 N 1.04 1.92 -3.26 0.00 7.64 -1.26 -4.94 113.62 114.77 2rpp n SER 69 Ca -0.12 0.38 -0.46 0.00 1.01 0.00 0.00 58.87 59.68 2rpp n SER 69 Cb 0.53 -0.79 -0.09 0.00 -1.01 0.00 0.00 64.21 62.85 2rpp n SER 69 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2rpp n ARG 70 N -4.42 0.00 0.19 1.43 1.74 -1.26 -4.82 116.66 109.52 2rpp n ARG 70 Ca -0.25 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.72 2rpp n ARG 70 Cb 0.60 -1.12 -0.06 0.00 -1.02 0.00 0.00 32.46 30.86 2rpp n ARG 70 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2rpp h GLU 71 N 6.08 -0.58 -1.27 5.56 4.81 -2.06 -2.94 114.58 124.18 2rpp h GLU 71 Ca -0.13 0.04 -0.59 0.00 -0.13 0.00 0.00 59.36 58.55 2rpp h GLU 71 Cb 1.05 0.13 -0.24 0.00 0.63 0.00 0.00 28.75 30.32 2rpp h GLU 71 CO 0.80 -0.39 0.75 -1.71 -0.73 0.00 0.00 179.01 177.73 2rpp n ASN 72 N -4.10 7.32 -3.34 1.04 5.15 -1.26 -5.01 115.26 115.06 2rpp n ASN 72 Ca -0.07 -3.58 -0.44 0.00 -0.60 0.00 0.00 54.58 49.89 2rpp n ASN 72 Cb 0.27 -1.02 -0.06 0.00 -0.53 0.00 0.00 39.78 38.44 2rpp n ASN 72 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2rpp n LYS 74 N 1.20 1.80 -4.89 0.00 0.00 -1.26 -4.50 118.16 110.51 2rpp n LYS 74 Ca 0.15 -1.24 -0.32 0.00 -0.00 0.00 0.00 58.31 56.90 2rpp n LYS 74 Cb 0.05 -1.31 -0.13 0.00 -0.00 0.00 0.00 35.03 33.64 2rpp n LYS 74 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 2rpp s TYR 75 N -1.59 2.61 0.40 5.58 2.02 -1.26 -1.41 117.35 123.70 2rpp s TYR 75 Ca 0.26 -0.23 -0.23 0.00 -0.37 0.00 0.00 57.07 56.50 2rpp s TYR 75 Cb 0.14 -1.56 -0.10 0.00 -0.40 0.00 0.00 41.96 40.03 2rpp s TYR 75 CO 0.19 0.17 0.99 -1.17 -1.57 0.00 0.00 175.55 174.15 2rpp s LEU 76 N -0.91 4.08 -0.61 -1.29 2.96 -1.23 -4.63 118.68 117.05 2rpp s LEU 76 Ca 0.12 1.85 -0.11 0.00 -0.22 0.00 0.00 54.13 55.77 2rpp s LEU 76 Cb -0.10 -4.32 0.16 0.00 0.50 0.00 0.00 46.19 42.42 2rpp s LEU 76 CO 0.02 -0.38 0.51 -1.00 -1.32 0.00 0.00 176.35 174.18 2rpp s HIS 77 N -1.87 3.48 0.53 5.38 3.76 -1.26 -1.44 115.29 123.86 2rpp s HIS 77 Ca 0.59 -1.90 -0.20 0.00 -0.15 0.00 0.00 55.06 53.39 2rpp s HIS 77 Cb -0.16 -3.61 -0.06 0.00 1.11 0.00 0.00 32.58 29.86 2rpp s HIS 77 CO 0.20 -0.98 1.13 -1.25 -0.85 0.00 0.00 174.74 173.00 2rpp s PRO 78 N 0.86 3.41 1.07 8.40 0.04 -1.26 -5.04 135.00 142.49 2rpp s PRO 78 Ca 0.10 1.63 -0.15 0.00 0.04 0.00 0.00 61.00 62.63 2rpp s PRO 78 Cb -0.22 -2.06 0.23 0.00 0.04 0.00 0.00 34.50 32.49 2rpp s PRO 78 CO -0.03 -0.81 1.10 -1.25 0.04 0.00 0.00 177.00 176.05 2rpp s PRO 79 N -3.21 -0.19 0.01 0.56 0.04 -1.26 -4.76 135.00 126.19 2rpp s PRO 79 Ca 0.72 0.31 -0.25 0.00 0.04 0.00 0.00 61.00 61.82 2rpp s PRO 79 Cb -0.25 -1.68 -0.18 0.00 0.04 0.00 0.00 34.50 32.43 2rpp s PRO 79 CO 0.28 -3.10 1.39 1.15 0.04 0.00 0.00 177.00 176.76 2rpp h THR 80 N -2.15 1.29 -0.11 1.26 2.02 -1.97 0.45 112.91 113.71 2rpp h THR 80 Ca -0.52 -0.88 0.03 0.00 0.77 0.00 0.00 66.41 65.81 2rpp h THR 80 Cb 1.32 1.85 -0.00 0.00 -1.74 0.00 0.00 68.15 69.58 2rpp h THR 80 CO 0.50 0.23 0.42 1.12 0.37 0.00 0.00 175.52 178.17 2rpp h HIS 81 N -0.32 0.00 0.04 3.16 2.07 -1.98 -0.31 115.15 117.81 2rpp h HIS 81 Ca 0.01 0.00 -0.38 0.00 -2.85 0.00 0.00 60.37 57.14 2rpp h HIS 81 Cb 0.38 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.31 2rpp h HIS 81 CO 0.05 0.00 -2.33 1.28 -3.07 0.00 0.00 177.93 173.87 2rpp n LEU 82 N -3.05 2.83 -0.49 6.12 4.77 -1.04 -4.32 117.00 121.82 2rpp n LEU 82 Ca 0.01 -0.03 0.41 0.00 -0.03 0.00 0.00 56.01 56.37 2rpp n LEU 82 Cb 0.50 -0.95 0.68 0.00 -2.33 0.00 0.00 43.42 41.32 2rpp n LEU 82 CO 0.16 0.91 1.23 0.29 -1.33 0.00 0.00 177.39 178.64 2rpp n LYS 83 N -3.32 -0.03 -0.04 3.23 5.02 0.12 0.16 118.16 123.30 2rpp n LYS 83 Ca -0.41 1.23 -0.09 0.00 -2.02 0.00 0.00 58.31 57.01 2rpp n LYS 83 Cb 1.01 -2.45 -0.03 0.00 -0.02 0.00 0.00 35.03 33.54 2rpp n LYS 83 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2rpp h THR 84 N 0.00 0.33 -0.94 -0.18 2.02 -1.74 -1.18 112.91 111.22 2rpp h THR 84 Ca 0.88 0.00 0.27 0.00 0.77 0.00 0.00 66.41 68.33 2rpp h THR 84 Cb 2.89 0.33 -0.17 0.00 -1.74 0.00 0.00 68.15 69.46 2rpp h THR 84 CO -0.43 0.00 0.16 1.56 0.37 0.00 0.00 175.52 177.18 2rpp h GLN 85 N -0.31 0.07 -0.60 6.66 4.20 -0.56 0.74 115.11 125.32 2rpp h GLN 85 Ca 0.12 -0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.77 2rpp h GLN 85 Cb 0.50 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 2rpp h GLN 85 CO -0.39 0.05 0.15 -0.07 -0.67 0.00 0.00 178.83 177.90 2rpp h LEU 86 N 0.08 0.90 0.67 1.46 3.38 -1.32 -3.03 115.31 117.45 2rpp h LEU 86 Ca 0.61 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 58.32 2rpp h LEU 86 Cb 1.30 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.82 2rpp h LEU 86 CO -0.81 0.89 -0.32 -0.33 0.09 0.00 0.00 178.44 177.97 2rpp h GLU 87 N 0.86 -0.86 -0.99 1.13 5.08 0.91 -3.06 114.58 117.66 2rpp h GLU 87 Ca 0.19 0.06 0.27 0.00 -1.00 0.00 0.00 59.36 58.88 2rpp h GLU 87 Cb 0.34 0.20 -0.18 0.00 0.50 0.00 0.00 28.75 29.60 2rpp h GLU 87 CO 0.00 -0.54 0.03 0.82 -1.00 0.00 0.00 179.01 178.32 2rpp h ILE 88 N -1.04 0.02 -0.27 3.13 2.04 -0.91 -3.25 117.51 117.24 2rpp h ILE 88 Ca -0.09 -0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.64 2rpp h ILE 88 Cb 0.72 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 2rpp h ILE 88 CO 0.15 0.00 0.38 0.20 0.00 0.00 0.00 178.15 178.88 2rpp s ASN 89 N -5.01 4.01 0.22 1.72 -0.87 -1.15 -4.77 114.94 109.10 2rpp s ASN 89 Ca -0.13 -1.04 -0.17 0.00 -1.57 0.00 0.00 52.86 49.95 2rpp s ASN 89 Cb 0.29 -2.59 0.24 0.00 -0.02 0.00 0.00 41.25 39.18 2rpp s ASN 89 CO 0.78 -4.10 1.57 0.28 -2.57 0.00 0.00 177.10 173.06 2rpp h SER 90 N 11.18 -1.21 0.00 -1.22 0.02 -1.83 -3.44 113.55 117.06 2rpp h SER 90 Ca 0.07 0.28 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 2rpp h SER 90 Cb 0.98 0.65 0.00 0.00 0.14 0.00 0.00 62.40 64.18 2rpp h SER 90 CO 1.08 -0.29 0.00 0.61 -1.14 0.00 0.00 176.83 177.09 2rpp n GLY 91 N -1.49 1.45 0.00 -3.77 0.00 -1.26 -1.31 105.19 98.81 2rpp n GLY 91 Ca 0.09 0.41 0.08 0.00 0.00 0.00 0.00 46.02 46.60 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 0.58 0.38 -4.05 1.61 -0.04 -1.26 -4.71 135.00 127.51 2rpp n PRO 92 Ca 0.00 0.05 -0.32 0.00 -0.04 0.00 0.00 63.50 63.20 2rpp n PRO 92 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 2rpp n PRO 92 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2rpp s SER 93 N -2.21 5.75 -0.19 3.54 0.01 -0.43 -5.10 113.70 115.06 2rpp s SER 93 Ca 0.20 0.12 -0.01 0.00 1.31 0.00 0.00 55.95 57.57 2rpp s SER 93 Cb 0.10 -1.64 0.01 0.00 0.21 0.00 0.00 66.02 64.70 2rpp s SER 93 CO 0.20 0.22 -0.14 -0.44 0.41 0.00 0.00 173.24 173.49 2rpp s SER 94 N -2.09 3.63 0.00 2.44 0.01 -1.26 -4.79 113.70 111.64 2rpp s SER 94 Ca 0.27 -0.53 0.14 0.00 1.31 0.00 0.00 55.95 57.15 2rpp s SER 94 Cb -0.12 -1.58 0.11 0.00 0.21 0.00 0.00 66.02 64.64 2rpp s SER 94 CO 0.19 0.01 0.95 0.61 0.41 0.00 0.00 173.24 175.41