#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rpr n SER 2 N 0.00 0.85 -4.47 1.61 2.88 -1.26 -4.88 113.62 108.35 2rpr n SER 2 Ca 0.00 -0.59 -0.24 0.00 -1.33 0.00 0.00 58.87 56.72 2rpr n SER 2 Cb 0.00 -1.21 -0.10 0.00 -0.75 0.00 0.00 64.21 62.15 2rpr n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2rpr s SER 3 N 8.43 3.45 0.00 -3.46 0.01 -1.26 -4.98 113.70 115.89 2rpr s SER 3 Ca 1.14 -1.07 0.00 0.00 1.31 0.00 0.00 55.95 57.33 2rpr s SER 3 Cb -0.59 -0.28 0.00 0.00 0.21 0.00 0.00 66.02 65.36 2rpr s SER 3 CO 0.34 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.54 2rpr n GLY 4 N -0.63 -0.68 0.11 3.44 0.00 -1.26 -5.04 105.19 101.14 2rpr n GLY 4 Ca -0.05 -1.01 -0.14 0.00 0.00 0.00 0.00 46.02 44.82 2rpr n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2rpr n SER 5 N 0.00 1.09 -4.16 1.61 2.88 -1.26 -4.79 113.62 109.00 2rpr n SER 5 Ca 0.00 0.01 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 2rpr n SER 5 Cb 0.00 0.14 -0.10 0.00 -0.75 0.00 0.00 64.21 63.51 2rpr n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2rpr s SER 6 N -6.12 5.48 0.00 -3.46 1.04 -1.26 -4.93 113.70 104.45 2rpr s SER 6 Ca -0.21 -2.22 0.00 0.00 0.48 0.00 0.00 55.95 54.01 2rpr s SER 6 Cb 0.07 -1.92 0.00 0.00 0.10 0.00 0.00 66.02 64.28 2rpr s SER 6 CO 0.73 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 175.00 2rpr n GLY 7 N 4.41 -0.25 3.58 7.32 0.00 -1.26 -5.17 105.19 113.82 2rpr n GLY 7 Ca -0.01 0.43 -0.27 0.00 0.00 0.00 0.00 46.02 46.17 2rpr n GLY 7 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2rpr s LEU 8 N 0.00 2.29 -0.03 0.99 2.34 -1.26 -5.15 118.68 117.85 2rpr s LEU 8 Ca 0.00 -1.53 -0.01 0.00 0.06 0.00 0.00 54.13 52.65 2rpr s LEU 8 Cb 0.00 -0.49 -0.04 0.00 -0.56 0.00 0.00 46.19 45.10 2rpr s LEU 8 CO 0.00 -0.73 0.03 -0.60 -1.06 0.00 0.00 176.35 173.99 2rpr s ARG 9 N -3.80 2.96 0.01 1.48 3.52 -1.26 -4.89 118.95 116.97 2rpr s ARG 9 Ca 0.25 -0.49 -0.00 0.00 -0.13 0.00 0.00 55.73 55.36 2rpr s ARG 9 Cb 0.05 -2.79 0.00 0.00 -1.56 0.00 0.00 34.95 30.66 2rpr s ARG 9 CO 0.12 0.66 0.00 -0.35 -0.81 0.00 0.00 175.30 174.93 2rpr n PRO 10 N 1.59 -1.03 -3.72 5.12 -0.04 -1.26 -3.88 135.00 131.77 2rpr n PRO 10 Ca -0.16 -0.01 -0.14 0.00 -0.04 0.00 0.00 63.50 63.16 2rpr n PRO 10 Cb 0.53 -0.01 -0.09 0.00 -0.04 0.00 0.00 33.50 33.90 2rpr n PRO 10 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2rpr s LEU 11 N 0.00 0.57 0.01 1.53 2.96 -1.13 -4.72 118.68 117.91 2rpr s LEU 11 Ca 0.00 0.33 -0.00 0.00 -0.22 0.00 0.00 54.13 54.24 2rpr s LEU 11 Cb -0.00 1.46 -0.04 0.00 0.50 0.00 0.00 46.19 48.11 2rpr s LEU 11 CO 0.00 -0.40 0.11 -0.70 -1.32 0.00 0.00 176.35 174.04 2rpr s GLU 12 N -0.97 3.12 0.25 1.98 2.56 -1.26 -5.08 118.70 119.29 2rpr s GLU 12 Ca -0.10 -0.49 0.02 0.00 0.00 0.00 0.00 54.97 54.40 2rpr s GLU 12 Cb -0.04 -2.89 -0.04 0.00 2.00 0.00 0.00 34.13 33.16 2rpr s GLU 12 CO 0.04 0.64 0.17 -0.06 -0.56 0.00 0.00 175.26 175.49 2rpr s PHE 13 N -1.27 1.38 0.05 5.30 0.40 -1.26 -2.01 117.98 120.57 2rpr s PHE 13 Ca 0.25 -1.45 -0.03 0.00 -0.60 0.00 0.00 56.93 55.10 2rpr s PHE 13 Cb -0.12 -0.64 -0.02 0.00 0.51 0.00 0.00 43.02 42.74 2rpr s PHE 13 CO 0.17 -0.68 0.04 -0.51 0.70 0.00 0.00 175.22 174.93 2rpr s LEU 14 N -3.24 2.12 -0.15 -0.37 1.43 0.53 -4.78 118.68 114.22 2rpr s LEU 14 Ca 0.39 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 2rpr s LEU 14 Cb 0.06 0.42 0.02 0.00 0.03 0.00 0.00 46.19 46.72 2rpr s LEU 14 CO 0.17 -0.57 -0.13 -0.13 0.23 0.00 0.00 176.35 175.92 2rpr s ARG 15 N -3.33 2.15 -0.07 1.70 3.00 -1.26 -0.34 118.95 120.80 2rpr s ARG 15 Ca 0.01 -0.53 0.04 0.00 0.00 0.00 0.00 55.73 55.26 2rpr s ARG 15 Cb 0.03 -2.05 -0.00 0.00 0.00 0.00 0.00 34.95 32.93 2rpr s ARG 15 CO -0.08 -0.26 -0.21 -0.08 0.00 0.00 0.00 175.30 174.67 2rpr s THR 16 N 1.52 1.78 0.42 0.02 -1.32 -1.21 -4.97 115.64 111.87 2rpr s THR 16 Ca 0.05 -0.89 0.27 0.00 -1.21 0.00 0.00 61.69 59.91 2rpr s THR 16 Cb -0.13 -1.53 0.30 0.00 -1.51 0.00 0.00 72.50 69.62 2rpr s THR 16 CO -0.10 0.50 2.08 0.28 -2.21 0.00 0.00 174.62 175.16 2rpr h SER 17 N 6.45 0.00 -3.31 8.08 0.02 -2.00 -2.72 113.55 120.06 2rpr h SER 17 Ca -0.28 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.01 2rpr h SER 17 Cb 1.20 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 63.36 2rpr h SER 17 CO 0.47 0.11 -0.32 -1.48 -1.14 0.00 0.00 176.83 174.48 2rpr s LEU 18 N -7.28 5.21 0.00 5.07 2.34 -1.26 -4.56 118.68 118.19 2rpr s LEU 18 Ca -0.03 -3.72 0.00 0.00 0.06 0.00 0.00 54.13 50.44 2rpr s LEU 18 Cb 0.13 -1.79 0.00 0.00 -0.56 0.00 0.00 46.19 43.97 2rpr s LEU 18 CO 0.58 -0.15 0.00 0.61 -1.06 0.00 0.00 176.35 176.33 2rpr n GLY 19 N 2.25 0.76 0.00 -3.48 0.00 -1.25 -5.05 105.19 98.43 2rpr n GLY 19 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2rpr n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rpr n GLY 20 N 0.00 0.98 2.96 -0.02 0.00 -1.03 -4.93 105.19 103.16 2rpr n GLY 20 Ca 0.00 -0.76 -0.18 0.00 0.00 0.00 0.00 46.02 45.08 2rpr n GLY 20 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2rpr s ARG 21 N 0.00 0.60 0.26 1.61 6.06 -1.26 -3.31 118.95 122.91 2rpr s ARG 21 Ca 0.00 -0.21 0.09 0.00 -2.50 0.00 0.00 55.73 53.11 2rpr s ARG 21 Cb 0.00 -0.59 -0.04 0.00 0.06 0.00 0.00 34.95 34.37 2rpr s ARG 21 CO 0.00 0.10 0.01 -0.06 -2.50 0.00 0.00 175.30 172.84 2rpr s PHE 22 N 0.07 2.72 -0.05 5.12 0.40 0.54 -2.94 117.98 123.85 2rpr s PHE 22 Ca -0.01 -0.21 0.02 0.00 -0.60 0.00 0.00 56.93 56.13 2rpr s PHE 22 Cb -0.05 -1.21 0.02 0.00 0.51 0.00 0.00 43.02 42.28 2rpr s PHE 22 CO -0.00 0.61 -0.08 -1.17 0.70 0.00 0.00 175.22 175.28 2rpr s LEU 23 N -3.65 1.52 -0.40 -0.37 2.96 -0.10 -0.34 118.68 118.29 2rpr s LEU 23 Ca 0.31 -0.20 -0.17 0.00 -0.22 0.00 0.00 54.13 53.86 2rpr s LEU 23 Cb -0.07 -0.60 0.01 0.00 0.50 0.00 0.00 46.19 46.03 2rpr s LEU 23 CO 0.20 -0.00 0.41 -0.69 -1.32 0.00 0.00 176.35 174.94 2rpr s VAL 24 N 0.71 5.12 -0.13 1.68 1.01 -0.85 -1.31 120.40 126.63 2rpr s VAL 24 Ca -0.12 -0.27 -0.06 0.00 0.00 0.00 0.00 61.98 61.53 2rpr s VAL 24 Cb -0.14 -3.97 0.05 0.00 0.00 0.00 0.00 36.38 32.32 2rpr s VAL 24 CO 0.02 -0.33 0.30 -2.28 0.00 0.00 0.00 175.10 172.81 2rpr s HIS 25 N 2.07 -0.42 -1.42 5.22 5.04 -0.99 -4.22 115.29 120.57 2rpr s HIS 25 Ca 0.11 0.95 -0.08 0.00 -1.54 0.00 0.00 55.06 54.50 2rpr s HIS 25 Cb -0.17 0.11 0.01 0.00 0.04 0.00 0.00 32.58 32.57 2rpr s HIS 25 CO 0.13 -0.27 1.02 0.39 -2.34 0.00 0.00 174.74 173.67 2rpr n GLU 26 N 4.29 -7.08 -1.47 2.88 -0.58 -1.26 -0.98 120.64 116.44 2rpr n GLU 26 Ca -0.24 0.85 -0.16 0.00 -0.42 0.00 0.00 57.16 57.19 2rpr n GLU 26 Cb 0.53 -5.85 -0.07 0.00 -0.57 0.00 0.00 31.44 25.48 2rpr n GLU 26 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2rpr n SER 27 N -2.88 -5.45 -4.82 1.62 7.64 -1.26 -4.85 113.62 103.62 2rpr n SER 27 Ca -0.03 0.40 -0.31 0.00 1.01 0.00 0.00 58.87 59.94 2rpr n SER 27 Cb 0.58 -4.39 -0.05 0.00 -1.01 0.00 0.00 64.21 59.34 2rpr n SER 27 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2rpr s PHE 28 N -2.45 1.69 -0.03 1.43 0.08 -0.15 -4.18 117.98 114.38 2rpr s PHE 28 Ca 0.00 -0.96 0.03 0.00 0.12 0.00 0.00 56.93 56.12 2rpr s PHE 28 Cb 0.00 -1.69 0.00 0.00 -0.57 0.00 0.00 43.02 40.76 2rpr s PHE 28 CO 0.00 -0.03 -0.11 -0.51 -0.10 0.00 0.00 175.22 174.46 2rpr s LEU 29 N -4.03 1.81 0.23 -0.37 1.43 -1.26 -2.35 118.68 114.14 2rpr s LEU 29 Ca 0.12 -0.24 0.06 0.00 -1.03 0.00 0.00 54.13 53.04 2rpr s LEU 29 Cb -0.00 -0.68 -0.05 0.00 0.03 0.00 0.00 46.19 45.49 2rpr s LEU 29 CO 0.07 0.09 -0.07 -0.31 0.23 0.00 0.00 176.35 176.36 2rpr s TYR 30 N 0.17 1.67 -0.14 0.29 1.51 -0.43 -1.48 117.35 118.95 2rpr s TYR 30 Ca -0.04 -0.74 0.01 0.00 -1.01 0.00 0.00 57.07 55.30 2rpr s TYR 30 Cb -0.10 -0.90 -0.00 0.00 -0.11 0.00 0.00 41.96 40.85 2rpr s TYR 30 CO 0.01 0.18 -0.18 1.03 -1.11 0.00 0.00 175.55 175.48 2rpr s ARG 31 N -3.75 3.17 -0.28 -0.62 0.52 0.96 -0.92 118.95 118.02 2rpr s ARG 31 Ca 0.25 -0.79 -0.33 0.00 -0.52 0.00 0.00 55.73 54.35 2rpr s ARG 31 Cb 0.03 -2.53 -0.09 0.00 0.52 0.00 0.00 34.95 32.88 2rpr s ARG 31 CO 0.08 0.06 2.18 1.17 0.02 0.00 0.00 175.30 178.81 2rpr n LYS 32 N 3.92 1.48 -0.06 3.54 4.81 -1.15 -2.49 118.16 128.21 2rpr n LYS 32 Ca -0.19 0.41 -0.03 0.00 -0.87 0.00 0.00 58.31 57.64 2rpr n LYS 32 Cb 0.52 -2.76 -0.02 0.00 0.02 0.00 0.00 35.03 32.79 2rpr n LYS 32 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 2rpr h GLU 33 N 13.15 0.00 0.00 1.64 4.22 -0.70 -3.48 114.58 129.42 2rpr h GLU 33 Ca -0.34 0.00 -0.22 0.00 0.08 0.00 0.00 59.36 58.89 2rpr h GLU 33 Cb 1.29 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.49 2rpr h GLU 33 CO 0.99 0.14 -0.11 0.36 -2.18 0.00 0.00 179.01 178.21 2rpr n LYS 34 N -4.73 0.56 -3.58 1.92 2.85 -1.21 -4.99 118.16 108.98 2rpr n LYS 34 Ca -0.03 -2.20 -0.25 0.00 -1.05 0.00 0.00 58.31 54.79 2rpr n LYS 34 Cb 0.10 2.13 -0.16 0.00 -0.65 0.00 0.00 35.03 36.45 2rpr n LYS 34 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2rpr s ALA 35 N -2.51 0.30 -0.91 0.58 0.00 -1.26 -0.44 121.76 117.51 2rpr s ALA 35 Ca 0.23 -0.24 -0.18 0.00 0.00 0.00 0.00 51.96 51.76 2rpr s ALA 35 Cb -0.01 -1.11 0.14 0.00 0.00 0.00 0.00 23.12 22.14 2rpr s ALA 35 CO 0.16 -1.21 1.08 0.00 0.00 0.00 0.00 175.76 175.79 2rpr s ALA 36 N 2.17 3.44 0.00 0.00 0.00 0.16 -4.87 121.76 122.66 2rpr s ALA 36 Ca 0.03 -2.80 0.00 0.00 0.00 0.00 0.00 51.96 49.19 2rpr s ALA 36 Cb -0.16 -3.99 0.00 0.00 0.00 0.00 0.00 23.12 18.97 2rpr s ALA 36 CO -0.11 -2.90 0.00 0.41 0.00 0.00 0.00 175.76 173.16 2rpr n GLY 37 N 5.34 0.23 0.90 0.00 0.00 -1.26 0.13 105.19 110.52 2rpr n GLY 37 Ca 0.22 0.66 0.08 0.00 0.00 0.00 0.00 46.02 46.98 2rpr n GLY 37 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2rpr n GLU 38 N 0.00 2.82 -4.35 1.61 4.71 -1.26 -4.98 120.64 119.19 2rpr n GLU 38 Ca 0.00 -2.27 -0.26 0.00 -0.01 0.00 0.00 57.16 54.62 2rpr n GLU 38 Cb 0.00 -1.38 -0.10 0.00 -1.01 0.00 0.00 31.44 28.96 2rpr n GLU 38 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2rpr s LYS 39 N -1.00 1.89 -0.07 3.49 1.02 0.12 -3.46 119.74 121.73 2rpr s LYS 39 Ca 0.32 -1.42 -0.01 0.00 0.02 0.00 0.00 55.97 54.89 2rpr s LYS 39 Cb 0.17 -2.02 0.03 0.00 -0.52 0.00 0.00 37.83 35.48 2rpr s LYS 39 CO 0.22 0.40 -0.02 0.08 -0.92 0.00 0.00 175.35 175.11 2rpr s VAL 40 N -1.87 0.50 0.14 3.17 1.01 0.43 0.39 120.40 124.16 2rpr s VAL 40 Ca 0.25 0.01 -0.20 0.00 0.00 0.00 0.00 61.98 62.04 2rpr s VAL 40 Cb -0.08 -0.60 -0.07 0.00 0.00 0.00 0.00 36.38 35.63 2rpr s VAL 40 CO 0.14 0.26 0.66 -0.31 0.00 0.00 0.00 175.10 175.85 2rpr s TYR 41 N 1.66 3.77 0.15 5.22 1.51 0.41 -0.84 117.35 129.23 2rpr s TYR 41 Ca 0.01 1.37 0.02 0.00 -1.01 0.00 0.00 57.07 57.45 2rpr s TYR 41 Cb -0.13 -2.58 -0.04 0.00 -0.11 0.00 0.00 41.96 39.10 2rpr s TYR 41 CO -0.04 0.49 -0.01 -1.58 -1.11 0.00 0.00 175.55 173.29 2rpr s TRP 42 N -1.27 1.12 -0.13 2.71 0.52 0.10 0.07 118.94 122.05 2rpr s TRP 42 Ca 0.35 -1.00 -0.13 0.00 0.02 0.00 0.00 56.10 55.34 2rpr s TRP 42 Cb -0.19 -0.64 0.04 0.00 -1.15 0.00 0.00 33.47 31.53 2rpr s TRP 42 CO 0.21 -0.21 0.36 0.00 0.02 0.00 0.00 176.95 177.34 2rpr s MET 43 N -3.90 0.44 -0.41 4.98 0.23 -1.04 -0.75 119.30 118.85 2rpr s MET 43 Ca 0.21 0.48 -0.32 0.00 -1.03 0.00 0.00 55.69 55.03 2rpr s MET 43 Cb 0.06 0.21 -0.11 0.00 -1.53 0.00 0.00 34.83 33.47 2rpr s MET 43 CO 0.02 -0.06 2.28 0.00 -2.03 0.00 0.00 175.02 175.23 2rpr h ARG 45 N 13.93 0.00 -1.94 0.00 0.11 -1.55 0.24 114.38 125.17 2rpr h ARG 45 Ca -0.27 -0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.67 2rpr h ARG 45 Cb 1.30 -0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.33 2rpr h ARG 45 CO 1.06 0.00 -0.04 -0.25 0.10 0.00 0.00 179.97 180.84 2rpr n ASP 46 N -4.11 5.54 0.05 0.08 8.00 -1.26 -4.16 116.55 120.68 2rpr n ASP 46 Ca 0.44 -2.57 -0.15 0.00 0.71 0.00 0.00 54.79 53.21 2rpr n ASP 46 Cb 1.92 -1.22 -0.14 0.00 -0.02 0.00 0.00 41.12 41.66 2rpr n ASP 46 CO 0.00 0.00 0.00 0.06 -0.39 0.00 0.00 177.20 176.87 2rpr h GLN 47 N 1.84 0.20 0.00 -1.24 3.07 -0.59 -0.81 115.11 117.59 2rpr h GLN 47 Ca 0.13 -0.34 0.00 0.00 0.09 0.00 0.00 58.65 58.53 2rpr h GLN 47 Cb 1.13 0.13 0.00 0.00 0.08 0.00 0.00 27.48 28.82 2rpr h GLN 47 CO 0.23 1.03 -1.22 0.00 0.09 0.00 0.00 178.83 178.96 2rpr n ALA 48 N -2.66 3.51 -0.09 0.06 0.00 -1.26 -2.95 120.51 117.12 2rpr n ALA 48 Ca -0.17 -0.46 -0.10 0.00 0.00 0.00 0.00 53.44 52.71 2rpr n ALA 48 Cb 1.04 -0.89 -0.04 0.00 0.00 0.00 0.00 19.45 19.56 2rpr n ALA 48 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2rpr n ARG 49 N -1.96 0.52 -0.95 0.00 0.63 -1.26 -4.54 116.66 109.11 2rpr n ARG 49 Ca 0.01 0.31 0.01 0.00 -0.92 0.00 0.00 57.85 57.26 2rpr n ARG 49 Cb 0.45 -1.52 0.36 0.00 0.45 0.00 0.00 32.46 32.20 2rpr n ARG 49 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2rpr n LEU 50 N -4.48 5.85 -4.04 6.15 4.77 -0.86 -4.92 117.00 119.47 2rpr n LEU 50 Ca -0.17 -3.01 -0.33 0.00 -0.03 0.00 0.00 56.01 52.48 2rpr n LEU 50 Cb 0.49 -0.71 -0.05 0.00 -2.33 0.00 0.00 43.42 40.82 2rpr n LEU 50 CO 0.17 0.70 -0.10 0.61 -1.33 0.00 0.00 177.39 177.43 2rpr n GLY 51 N 0.29 -0.43 3.51 -0.72 0.00 -1.15 -4.86 105.19 101.83 2rpr n GLY 51 Ca 0.33 0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.99 2rpr n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rpr n ARG 53 N 5.97 3.28 -1.75 0.00 3.00 -1.26 -3.64 116.66 122.25 2rpr n ARG 53 Ca -0.04 -1.88 -0.42 0.00 -0.01 0.00 0.00 57.85 55.50 2rpr n ARG 53 Cb 0.48 -1.93 -0.03 0.00 0.00 0.00 0.00 32.46 30.98 2rpr n ARG 53 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2rpr s SER 54 N -0.50 5.47 0.19 0.55 0.15 -1.26 -4.79 113.70 113.52 2rpr s SER 54 Ca 0.33 1.55 0.06 0.00 0.70 0.00 0.00 55.95 58.58 2rpr s SER 54 Cb 0.24 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 62.00 2rpr s SER 54 CO 0.10 -2.00 0.12 -0.13 1.20 0.00 0.00 173.24 172.53 2rpr s ARG 55 N 6.37 2.78 0.18 5.44 3.00 -1.26 -0.51 118.95 134.95 2rpr s ARG 55 Ca 0.92 -0.99 -0.00 0.00 0.00 0.00 0.00 55.73 55.66 2rpr s ARG 55 Cb -0.27 -2.55 -0.04 0.00 0.00 0.00 0.00 34.95 32.09 2rpr s ARG 55 CO 0.33 0.45 0.09 0.00 0.00 0.00 0.00 175.30 176.17 2rpr s ALA 56 N -1.87 1.14 -0.05 2.13 0.00 0.07 0.14 121.76 123.31 2rpr s ALA 56 Ca 0.31 -1.62 -0.02 0.00 0.00 0.00 0.00 51.96 50.62 2rpr s ALA 56 Cb -0.09 1.07 0.04 0.00 0.00 0.00 0.00 23.12 24.13 2rpr s ALA 56 CO 0.23 -0.51 0.10 0.42 0.00 0.00 0.00 175.76 176.00 2rpr s ILE 57 N -4.02 -0.14 0.09 0.00 1.01 0.90 -0.73 121.20 118.33 2rpr s ILE 57 Ca 0.32 0.33 0.05 0.00 0.00 0.00 0.00 60.65 61.35 2rpr s ILE 57 Cb 0.07 -0.19 -0.04 0.00 0.01 0.00 0.00 42.46 42.31 2rpr s ILE 57 CO 0.08 0.14 -0.01 0.42 0.00 0.00 0.00 174.94 175.56 2rpr s THR 58 N 1.85 3.93 -0.39 2.92 -4.23 -0.02 0.15 115.64 119.85 2rpr s THR 58 Ca -0.00 -1.03 0.01 0.00 -1.18 0.00 0.00 61.69 59.49 2rpr s THR 58 Cb -0.12 -2.87 0.14 0.00 1.34 0.00 0.00 72.50 70.99 2rpr s THR 58 CO -0.04 0.12 0.23 -1.58 -0.54 0.00 0.00 174.62 172.81 2rpr s GLN 59 N -2.29 0.83 1.01 3.99 -0.44 -1.19 -0.43 119.66 121.14 2rpr s GLN 59 Ca 0.25 -1.63 0.00 0.00 -2.50 0.00 0.00 55.36 51.49 2rpr s GLN 59 Cb -0.12 -1.66 0.00 0.00 -1.64 0.00 0.00 33.01 29.59 2rpr s GLN 59 CO 0.18 -1.21 0.00 0.41 0.50 0.00 0.00 175.29 175.17 2rpr n GLY 60 N 3.77 1.82 0.00 2.59 0.00 -1.22 -3.35 105.19 108.79 2rpr n GLY 60 Ca 0.12 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2rpr n GLY 60 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2rpr n HIS 61 N 0.00 0.00 -2.46 1.61 -0.00 -1.26 -5.01 115.22 108.11 2rpr n HIS 61 Ca 0.00 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 58.00 2rpr n HIS 61 Cb 0.00 0.00 0.10 0.00 -0.12 0.00 0.00 29.99 29.97 2rpr n HIS 61 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2rpr n ARG 62 N -0.55 -0.03 -3.74 1.57 1.74 -1.21 -2.82 116.66 111.62 2rpr n ARG 62 Ca 0.00 -2.03 -0.12 0.00 -0.77 0.00 0.00 57.85 54.93 2rpr n ARG 62 Cb 0.01 -0.55 -0.07 0.00 -1.02 0.00 0.00 32.46 30.83 2rpr n ARG 62 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 2rpr s ILE 63 N -2.38 0.07 0.03 0.55 2.07 -1.26 -3.17 121.20 117.11 2rpr s ILE 63 Ca 0.51 -0.60 0.00 0.00 -1.41 0.00 0.00 60.65 59.16 2rpr s ILE 63 Cb -0.03 -0.88 -0.02 0.00 0.13 0.00 0.00 42.46 41.66 2rpr s ILE 63 CO 0.34 -0.33 -0.04 -0.32 -1.91 0.00 0.00 174.94 172.68 2rpr s MET 64 N -2.27 0.42 -0.11 3.50 -2.45 0.39 -4.92 119.30 113.86 2rpr s MET 64 Ca -0.07 -0.74 -0.00 0.00 -1.25 0.00 0.00 55.69 53.62 2rpr s MET 64 Cb -0.02 0.01 -0.02 0.00 1.25 0.00 0.00 34.83 36.05 2rpr s MET 64 CO -0.01 -0.03 -0.09 0.08 1.05 0.00 0.00 175.02 176.02 2rpr s VAL 65 N -1.80 3.49 -0.20 10.11 1.01 -1.26 -0.07 120.40 131.68 2rpr s VAL 65 Ca -0.11 -0.53 0.07 0.00 0.00 0.00 0.00 61.98 61.41 2rpr s VAL 65 Cb -0.07 -2.46 -0.17 0.00 0.00 0.00 0.00 36.38 33.68 2rpr s VAL 65 CO -0.02 0.55 -0.09 0.23 0.00 0.00 0.00 175.10 175.76 2rpr n MET 66 N 3.00 0.82 -4.09 2.72 2.81 0.12 -4.92 117.12 117.58 2rpr n MET 66 Ca -0.18 0.07 -0.07 0.00 -1.81 0.00 0.00 57.70 55.71 2rpr n MET 66 Cb 0.53 -1.44 -0.10 0.00 -0.71 0.00 0.00 33.22 31.50 2rpr n MET 66 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2rpr s ARG 67 N -2.43 0.62 0.84 0.03 1.81 -1.06 -4.88 118.95 113.89 2rpr s ARG 67 Ca -0.21 -1.23 -0.08 0.00 -1.72 0.00 0.00 55.73 52.49 2rpr s ARG 67 Cb 0.07 0.21 0.18 0.00 -0.45 0.00 0.00 34.95 34.96 2rpr s ARG 67 CO 0.58 -0.12 1.14 0.43 -0.68 0.00 0.00 175.30 176.65 2rpr n SER 68 N 0.10 0.70 -4.48 0.23 7.64 -1.26 -4.33 113.62 112.22 2rpr n SER 68 Ca -0.14 -1.79 -0.33 0.00 1.01 0.00 0.00 58.87 57.63 2rpr n SER 68 Cb 0.61 -0.82 -0.13 0.00 -1.01 0.00 0.00 64.21 62.87 2rpr n SER 68 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2rpr s HIS 69 N -3.43 2.79 -1.34 1.43 3.76 -1.26 -4.02 115.29 113.21 2rpr s HIS 69 Ca 0.69 -0.23 0.14 0.00 -0.15 0.00 0.00 55.06 55.51 2rpr s HIS 69 Cb -0.03 -1.71 0.52 0.00 1.11 0.00 0.00 32.58 32.48 2rpr s HIS 69 CO 0.47 0.12 1.39 0.00 -0.85 0.00 0.00 174.74 175.88 2rpr s HIS 71 N -1.71 1.34 0.12 0.00 -3.43 -1.26 -5.11 115.29 105.25 2rpr s HIS 71 Ca 0.37 -1.46 0.04 0.00 -0.80 0.00 0.00 55.06 53.22 2rpr s HIS 71 Cb 0.23 -0.57 -0.04 0.00 -1.43 0.00 0.00 32.58 30.77 2rpr s HIS 71 CO 0.19 -0.75 0.09 -0.65 -2.00 0.00 0.00 174.74 171.61 2rpr s GLN 72 N -3.86 2.81 0.94 -0.38 -0.21 -1.26 -5.12 119.66 112.59 2rpr s GLN 72 Ca 0.39 -0.81 -0.12 0.00 0.02 0.00 0.00 55.36 54.84 2rpr s GLN 72 Cb 0.05 -2.65 0.16 0.00 1.00 0.00 0.00 33.01 31.57 2rpr s GLN 72 CO 0.18 0.52 1.09 -1.25 -2.12 0.00 0.00 175.29 173.71 2rpr s PRO 73 N -2.70 0.89 -0.41 2.91 0.04 -1.26 -5.05 135.00 129.41 2rpr s PRO 73 Ca 0.29 0.68 0.04 0.00 0.04 0.00 0.00 61.00 62.05 2rpr s PRO 73 Cb -0.11 -1.78 0.17 0.00 0.04 0.00 0.00 34.50 32.82 2rpr s PRO 73 CO 0.22 -2.46 0.39 -0.51 0.04 0.00 0.00 177.00 174.68 2rpr s ASP 74 N -3.44 1.13 0.60 6.66 1.01 -1.26 -4.97 116.67 116.39 2rpr s ASP 74 Ca 0.64 -2.52 0.28 0.00 0.71 0.00 0.00 52.55 51.67 2rpr s ASP 74 Cb -0.18 0.09 1.25 0.00 1.01 0.00 0.00 42.92 45.09 2rpr s ASP 74 CO 0.57 -0.18 1.64 -0.07 0.21 0.00 0.00 175.17 177.34 2rpr h LEU 75 N 5.94 0.00 -0.41 1.23 3.38 -1.97 0.54 115.31 124.02 2rpr h LEU 75 Ca 0.18 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 2rpr h LEU 75 Cb 0.97 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 2rpr h LEU 75 CO 0.27 0.00 -0.08 0.00 0.09 0.00 0.00 178.44 178.72 2rpr h ALA 76 N 1.06 0.56 0.20 1.53 0.00 -1.98 -0.24 119.26 120.38 2rpr h ALA 76 Ca 0.34 -0.31 -0.31 0.00 0.00 0.00 0.00 54.91 54.62 2rpr h ALA 76 Cb 1.94 -0.15 0.03 0.00 0.00 0.00 0.00 17.79 19.61 2rpr h ALA 76 CO -0.00 0.43 -1.37 0.78 0.00 0.00 0.00 179.25 179.08 2rpr h GLY 77 N 0.60 0.54 1.03 0.00 0.00 -0.38 -3.17 103.07 101.69 2rpr h GLY 77 Ca 0.11 -1.32 -0.11 0.00 0.00 0.00 0.00 47.33 46.01 2rpr h GLY 77 CO 0.04 1.16 -0.13 -2.00 0.00 0.00 0.00 176.54 175.60 2rpr h LEU 78 N 0.14 0.89 -1.98 3.11 5.85 -1.29 -2.72 115.31 119.32 2rpr h LEU 78 Ca -0.21 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.12 2rpr h LEU 78 Cb 2.07 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.85 2rpr h LEU 78 CO 0.25 1.06 -0.11 -0.33 -0.34 0.00 0.00 178.44 178.97 2rpr h GLU 79 N 0.72 0.00 0.12 1.25 5.08 -1.14 -2.61 114.58 117.99 2rpr h GLU 79 Ca 0.11 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2rpr h GLU 79 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2rpr h GLU 79 CO 0.05 0.11 -0.06 0.00 -1.00 0.00 0.00 179.01 178.11 2rpr h ALA 80 N 1.89 -0.16 -0.06 3.43 0.00 -1.45 0.14 119.26 123.06 2rpr h ALA 80 Ca -0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2rpr h ALA 80 Cb 0.27 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2rpr h ALA 80 CO 0.01 -0.46 -0.18 -0.07 0.00 0.00 0.00 179.25 178.56 2rpr h LEU 81 N -0.43 0.09 0.00 0.00 3.38 -1.48 -1.77 115.31 115.09 2rpr h LEU 81 Ca -0.02 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2rpr h LEU 81 Cb 0.35 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2rpr h LEU 81 CO 0.03 0.27 -0.20 0.03 0.09 0.00 0.00 178.44 178.66 2rpr h ARG 82 N 0.09 0.00 0.00 1.13 3.08 -1.32 -3.11 114.38 114.26 2rpr h ARG 82 Ca 0.02 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.87 2rpr h ARG 82 Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 2rpr h ARG 82 CO 0.02 0.07 -0.89 0.37 -1.07 0.00 0.00 179.97 178.48 2rpr h GLN 83 N 0.00 0.21 -0.00 0.04 5.75 0.18 -0.90 115.11 120.38 2rpr h GLN 83 Ca -0.00 -0.23 0.00 0.00 -0.15 0.00 0.00 58.65 58.27 2rpr h GLN 83 Cb 1.06 0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.68 2rpr h GLN 83 CO 0.01 0.97 -0.25 2.89 -2.65 0.00 0.00 178.83 179.79 2rpr n ARG 84 N -3.66 0.32 -0.00 1.69 1.85 -1.03 -3.60 116.66 112.24 2rpr n ARG 84 Ca -0.04 -0.14 0.06 0.00 -1.00 0.00 0.00 57.85 56.73 2rpr n ARG 84 Cb 0.81 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 30.65 2rpr n ARG 84 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2rpr n GLU 85 N -1.21 2.36 -0.56 2.89 1.02 -1.17 -4.41 120.64 119.55 2rpr n GLU 85 Ca 0.09 -0.03 0.06 0.00 -0.02 0.00 0.00 57.16 57.26 2rpr n GLU 85 Cb 0.32 -1.12 0.28 0.00 -0.02 0.00 0.00 31.44 30.90 2rpr n GLU 85 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2rpr n ARG 86 N -1.46 3.45 0.00 3.49 -4.01 -0.35 -5.07 116.66 112.71 2rpr n ARG 86 Ca 0.01 -2.18 0.14 0.00 -1.04 0.00 0.00 57.85 54.78 2rpr n ARG 86 Cb 0.22 -1.91 0.52 0.00 -3.04 0.00 0.00 32.46 28.26 2rpr n ARG 86 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48