#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 0.06 -3.56 1.61 3.41 -1.26 -4.97 113.62 108.91 2rpr n SER 2 Ca 0.00 0.96 -0.28 0.00 -0.26 0.00 0.00 58.87 59.29 2rpr n SER 2 Cb 0.00 -1.22 -0.11 0.00 -0.26 0.00 0.00 64.21 62.62 2rpr n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2rpr s SER 3 N -0.88 2.69 -0.33 4.04 0.15 -1.26 -4.91 113.70 113.20 2rpr s SER 3 Ca 0.64 -3.08 0.11 0.00 0.70 0.00 0.00 55.95 54.33 2rpr s SER 3 Cb -0.59 -0.79 0.38 0.00 -1.71 0.00 0.00 66.02 63.31 2rpr s SER 3 CO 0.57 -0.18 1.45 0.61 1.20 0.00 0.00 173.24 176.89 2rpr n GLY 4 N 2.89 1.71 3.65 9.45 0.00 -1.26 -5.12 105.19 116.52 2rpr n GLY 4 Ca 0.22 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 2rpr n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rpr s SER 5 N -1.07 6.62 -0.03 1.61 1.04 -1.26 -5.06 113.70 115.56 2rpr s SER 5 Ca 0.11 0.76 0.07 0.00 0.48 0.00 0.00 55.95 57.36 2rpr s SER 5 Cb 0.41 -2.34 -0.02 0.00 0.10 0.00 0.00 66.02 64.18 2rpr s SER 5 CO -0.11 -0.30 -0.23 -0.44 0.98 0.00 0.00 173.24 173.13 2rpr s SER 6 N 1.31 2.76 0.00 7.02 0.01 -1.26 -4.74 113.70 118.80 2rpr s SER 6 Ca 0.27 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.09 2rpr s SER 6 Cb -0.16 -0.44 0.00 0.00 0.21 0.00 0.00 66.02 65.64 2rpr s SER 6 CO 0.09 0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.62 2rpr n GLY 7 N 2.65 0.66 3.64 3.44 0.00 -1.26 -5.10 105.19 109.21 2rpr n GLY 7 Ca -0.16 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.18 0.36 0.99 2.34 -1.26 -5.16 118.68 115.77 2rpr s LEU 8 Ca 0.00 0.33 -0.26 0.00 0.06 0.00 0.00 54.13 54.26 2rpr s LEU 8 Cb 0.00 1.36 -0.09 0.00 -0.56 0.00 0.00 46.19 46.90 2rpr s LEU 8 CO 0.00 -0.07 1.06 -0.13 -1.06 0.00 0.00 176.35 176.15 2rpr s ARG 9 N -0.07 4.32 0.00 1.48 3.00 -1.26 -4.99 118.95 121.43 2rpr s ARG 9 Ca 0.06 1.59 0.00 0.00 0.00 0.00 0.00 55.73 57.38 2rpr s ARG 9 Cb -0.04 -2.74 0.00 0.00 0.00 0.00 0.00 34.95 32.16 2rpr s ARG 9 CO -0.11 -0.02 0.00 -0.35 0.00 0.00 0.00 175.30 174.81 2rpr n PRO 10 N 0.33 -0.06 -3.72 3.54 -0.04 -1.24 -3.72 135.00 130.10 2rpr n PRO 10 Ca 0.03 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.35 2rpr n PRO 10 Cb 0.48 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.85 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 0.45 0.04 1.53 2.96 -1.11 -4.60 118.68 117.95 2rpr s LEU 11 Ca 0.00 0.53 0.06 0.00 -0.22 0.00 0.00 54.13 54.49 2rpr s LEU 11 Cb 0.00 1.51 -0.03 0.00 0.50 0.00 0.00 46.19 48.17 2rpr s LEU 11 CO 0.00 -0.32 -0.12 -0.70 -1.32 0.00 0.00 176.35 173.88 2rpr s GLU 12 N -0.57 2.27 0.17 1.98 2.12 -1.25 -5.06 118.70 118.36 2rpr s GLU 12 Ca -0.07 -0.89 -0.01 0.00 0.36 0.00 0.00 54.97 54.36 2rpr s GLU 12 Cb -0.04 -2.33 -0.04 0.00 0.26 0.00 0.00 34.13 31.98 2rpr s GLU 12 CO 0.03 0.56 0.10 -0.06 -0.54 0.00 0.00 175.26 175.35 2rpr s PHE 13 N -1.01 1.03 -0.09 5.30 0.40 -1.26 -0.29 117.98 122.06 2rpr s PHE 13 Ca 0.17 -1.31 -0.02 0.00 -0.60 0.00 0.00 56.93 55.16 2rpr s PHE 13 Cb -0.11 -0.52 0.04 0.00 0.51 0.00 0.00 43.02 42.93 2rpr s PHE 13 CO 0.08 -0.59 0.04 -0.51 0.70 0.00 0.00 175.22 174.94 2rpr s LEU 14 N -3.11 0.46 0.20 -0.37 1.43 -1.12 -4.85 118.68 111.32 2rpr s LEU 14 Ca 0.32 -0.18 -0.30 0.00 -1.03 0.00 0.00 54.13 52.94 2rpr s LEU 14 Cb 0.07 -0.33 -0.08 0.00 0.03 0.00 0.00 46.19 45.88 2rpr s LEU 14 CO 0.07 -0.25 1.18 -0.60 0.23 0.00 0.00 176.35 176.99 2rpr s ARG 15 N 2.05 4.51 0.13 1.70 3.52 -1.26 -1.45 118.95 128.16 2rpr s ARG 15 Ca 0.04 1.86 0.09 0.00 -0.13 0.00 0.00 55.73 57.58 2rpr s ARG 15 Cb -0.13 -3.24 -0.04 0.00 -1.56 0.00 0.00 34.95 29.98 2rpr s ARG 15 CO -0.05 -0.04 -0.17 0.95 -0.81 0.00 0.00 175.30 175.18 2rpr s THR 16 N -0.20 2.90 -0.15 4.11 -4.23 -0.92 -4.96 115.64 112.20 2rpr s THR 16 Ca 0.51 -1.54 -0.29 0.00 -1.18 0.00 0.00 61.69 59.20 2rpr s THR 16 Cb -0.32 -2.35 -0.01 0.00 1.34 0.00 0.00 72.50 71.16 2rpr s THR 16 CO 0.37 0.06 0.99 -0.94 -0.54 0.00 0.00 174.62 174.56 2rpr s SER 17 N -2.27 7.17 -0.12 3.99 1.04 -1.26 -3.79 113.70 118.46 2rpr s SER 17 Ca 0.19 1.44 0.00 0.00 0.48 0.00 0.00 55.95 58.07 2rpr s SER 17 Cb -0.10 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.48 2rpr s SER 17 CO 0.11 -0.50 0.00 0.18 0.98 0.00 0.00 173.24 174.01 2rpr n LEU 18 N 5.38 -0.12 0.00 2.42 4.77 -1.26 -4.61 117.00 123.58 2rpr n LEU 18 Ca 0.09 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 2rpr n LEU 18 Cb 0.48 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 2rpr n LEU 18 CO 0.51 -0.02 -0.46 0.61 -1.33 0.00 0.00 177.39 176.70 2rpr n GLY 19 N -0.44 0.00 0.00 -0.72 0.00 -1.25 -5.14 105.19 97.64 2rpr n GLY 19 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 2.58 0.10 3.16 -0.02 0.00 -1.25 -5.00 105.19 104.76 2rpr n GLY 20 Ca 0.00 -1.90 -0.21 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.07 1.04 0.33 1.61 6.06 -1.26 -2.16 118.95 124.50 2rpr s ARG 21 Ca 0.00 -0.75 0.08 0.00 -2.50 0.00 0.00 55.73 52.56 2rpr s ARG 21 Cb 0.00 -1.06 -0.04 0.00 0.06 0.00 0.00 34.95 33.91 2rpr s ARG 21 CO 0.00 0.27 0.14 -0.06 -2.50 0.00 0.00 175.30 173.15 2rpr s PHE 22 N -0.77 2.74 -0.18 5.12 0.08 -0.53 -4.32 117.98 120.13 2rpr s PHE 22 Ca 0.03 -0.34 -0.01 0.00 0.12 0.00 0.00 56.93 56.73 2rpr s PHE 22 Cb -0.08 -1.59 0.05 0.00 -0.57 0.00 0.00 43.02 40.83 2rpr s PHE 22 CO 0.01 0.36 -0.04 -1.17 -0.10 0.00 0.00 175.22 174.28 2rpr s LEU 23 N -3.84 1.73 -0.41 -0.37 2.96 -0.68 -2.80 118.68 115.27 2rpr s LEU 23 Ca 0.37 -0.77 -0.23 0.00 -0.22 0.00 0.00 54.13 53.28 2rpr s LEU 23 Cb -0.03 -0.92 0.02 0.00 0.50 0.00 0.00 46.19 45.75 2rpr s LEU 23 CO 0.23 -0.21 0.78 -0.69 -1.32 0.00 0.00 176.35 175.14 2rpr s VAL 24 N 1.62 4.69 -0.15 1.68 1.01 0.60 -1.77 120.40 128.08 2rpr s VAL 24 Ca -0.01 0.64 -0.07 0.00 0.00 0.00 0.00 61.98 62.54 2rpr s VAL 24 Cb -0.16 -4.27 0.06 0.00 0.00 0.00 0.00 36.38 32.02 2rpr s VAL 24 CO -0.07 -0.58 0.33 -2.28 0.00 0.00 0.00 175.10 172.50 2rpr s HIS 25 N 3.20 -0.53 -1.10 5.22 5.04 -1.14 -3.83 115.29 122.15 2rpr s HIS 25 Ca 0.30 1.13 -0.05 0.00 -1.54 0.00 0.00 55.06 54.91 2rpr s HIS 25 Cb -0.13 0.15 0.01 0.00 0.04 0.00 0.00 32.58 32.65 2rpr s HIS 25 CO 0.20 -0.35 0.95 0.39 -2.34 0.00 0.00 174.74 173.59 2rpr n GLU 26 N 4.76 -6.38 -1.49 2.88 -0.58 -1.26 -1.73 120.64 116.84 2rpr n GLU 26 Ca -0.17 0.70 -0.17 0.00 -0.42 0.00 0.00 57.16 57.11 2rpr n GLU 26 Cb 0.52 -5.34 -0.07 0.00 -0.57 0.00 0.00 31.44 25.98 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 -2.44 -4.44 -3.53 1.62 7.64 -1.26 -4.86 113.62 106.35 2rpr n SER 27 Ca -0.07 0.41 -0.17 0.00 1.01 0.00 0.00 58.87 60.06 2rpr n SER 27 Cb 0.58 -4.01 -0.03 0.00 -1.01 0.00 0.00 64.21 59.74 2rpr n SER 27 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2rpr n PHE 28 N -2.11 0.15 -4.05 1.43 3.72 -0.71 -3.77 117.46 112.12 2rpr n PHE 28 Ca -0.17 -1.38 -0.17 0.00 -0.05 0.00 0.00 57.45 55.69 2rpr n PHE 28 Cb 0.55 -0.21 -0.16 0.00 -0.94 0.00 0.00 39.48 38.73 2rpr n PHE 28 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2rpr s LEU 29 N 0.00 1.52 0.22 4.37 1.43 -1.26 -2.88 118.68 122.08 2rpr s LEU 29 Ca 0.05 -0.07 0.05 0.00 -1.03 0.00 0.00 54.13 53.14 2rpr s LEU 29 Cb -0.00 -0.27 -0.05 0.00 0.03 0.00 0.00 46.19 45.89 2rpr s LEU 29 CO 0.03 -0.03 -0.06 -0.31 0.23 0.00 0.00 176.35 176.21 2rpr s TYR 30 N 0.57 1.60 -0.02 0.29 1.51 -0.73 -0.83 117.35 119.75 2rpr s TYR 30 Ca -0.06 -0.77 0.06 0.00 -1.01 0.00 0.00 57.07 55.29 2rpr s TYR 30 Cb -0.09 -0.87 -0.01 0.00 -0.11 0.00 0.00 41.96 40.87 2rpr s TYR 30 CO -0.01 0.13 -0.20 1.03 -1.11 0.00 0.00 175.55 175.40 2rpr s ARG 31 N -3.77 1.61 -0.07 -0.62 0.52 0.10 -1.69 118.95 115.04 2rpr s ARG 31 Ca 0.25 -0.71 -0.29 0.00 -0.52 0.00 0.00 55.73 54.46 2rpr s ARG 31 Cb 0.03 -1.56 -0.07 0.00 0.52 0.00 0.00 34.95 33.88 2rpr s ARG 31 CO 0.07 0.42 2.03 0.21 0.02 0.00 0.00 175.30 178.05 2rpr s LYS 32 N -0.45 3.76 -0.17 3.54 2.20 -1.26 -1.12 119.74 126.24 2rpr s LYS 32 Ca 0.07 2.34 -0.13 0.00 -0.36 0.00 0.00 55.97 57.89 2rpr s LYS 32 Cb -0.08 -4.23 -0.07 0.00 -1.51 0.00 0.00 37.83 31.95 2rpr s LYS 32 CO -0.01 -1.38 -0.14 -1.91 -0.36 0.00 0.00 175.35 171.55 2rpr n GLU 33 N 7.97 0.49 -3.96 4.03 2.13 0.24 -4.95 120.64 126.59 2rpr n GLU 33 Ca 0.23 0.48 -0.09 0.00 0.66 0.00 0.00 57.16 58.44 2rpr n GLU 33 Cb 0.43 -1.66 -0.05 0.00 0.27 0.00 0.00 31.44 30.42 2rpr n GLU 33 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 2rpr s LYS 34 N -2.37 1.45 -0.10 5.31 -2.85 -1.22 -5.00 119.74 114.95 2rpr s LYS 34 Ca -0.21 -1.20 -0.01 0.00 -1.00 0.00 0.00 55.97 53.56 2rpr s LYS 34 Cb 0.04 0.46 0.03 0.00 -2.06 0.00 0.00 37.83 36.29 2rpr s LYS 34 CO 0.33 -0.59 -0.03 0.00 0.10 0.00 0.00 175.35 175.16 2rpr s ALA 35 N -3.99 1.01 -0.08 0.59 0.00 -1.26 0.27 121.76 118.30 2rpr s ALA 35 Ca 0.20 -0.37 -0.00 0.00 0.00 0.00 0.00 51.96 51.79 2rpr s ALA 35 Cb 0.00 -0.86 0.06 0.00 0.00 0.00 0.00 23.12 22.33 2rpr s ALA 35 CO 0.06 -0.50 1.83 0.00 0.00 0.00 0.00 175.76 177.15 2rpr n ALA 36 N 5.05 4.02 0.00 0.00 0.00 0.74 -4.81 120.51 125.50 2rpr n ALA 36 Ca -0.10 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2rpr n ALA 36 Cb 0.50 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.86 2rpr n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rpr n GLY 37 N 1.01 1.52 0.02 0.00 0.00 -1.26 -3.96 105.19 102.52 2rpr n GLY 37 Ca 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 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 2.45 -4.06 1.61 1.02 -1.26 -5.03 120.64 115.37 2rpr n GLU 38 Ca 0.00 -0.01 -0.26 0.00 -0.02 0.00 0.00 57.16 56.86 2rpr n GLU 38 Cb 0.00 -1.14 -0.05 0.00 -0.02 0.00 0.00 31.44 30.23 2rpr n GLU 38 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2rpr s LYS 39 N -2.20 3.00 -0.20 3.49 1.02 -1.25 -4.76 119.74 118.83 2rpr s LYS 39 Ca -0.03 -0.81 -0.00 0.00 0.02 0.00 0.00 55.97 55.15 2rpr s LYS 39 Cb 0.02 -2.71 0.05 0.00 -0.52 0.00 0.00 37.83 34.68 2rpr s LYS 39 CO 0.24 0.49 -0.04 0.08 -0.92 0.00 0.00 175.35 175.19 2rpr s VAL 40 N -1.74 1.27 0.35 3.17 1.01 -0.61 -0.19 120.40 123.66 2rpr s VAL 40 Ca 0.32 -0.93 -0.25 0.00 0.00 0.00 0.00 61.98 61.12 2rpr s VAL 40 Cb -0.10 -1.52 -0.10 0.00 0.00 0.00 0.00 36.38 34.65 2rpr s VAL 40 CO 0.24 -0.02 0.96 -0.31 0.00 0.00 0.00 175.10 175.97 2rpr s TYR 41 N 1.53 3.60 0.15 5.22 1.51 0.14 -0.26 117.35 129.24 2rpr s TYR 41 Ca -0.03 1.74 0.02 0.00 -1.01 0.00 0.00 57.07 57.79 2rpr s TYR 41 Cb -0.17 -2.94 -0.04 0.00 -0.11 0.00 0.00 41.96 38.69 2rpr s TYR 41 CO -0.07 0.07 -0.02 -1.58 -1.11 0.00 0.00 175.55 172.85 2rpr s TRP 42 N -1.69 1.11 -0.09 2.71 0.52 0.48 -0.59 118.94 121.38 2rpr s TRP 42 Ca 0.53 -1.00 -0.05 0.00 0.02 0.00 0.00 56.10 55.60 2rpr s TRP 42 Cb -0.18 -0.63 0.04 0.00 -1.15 0.00 0.00 33.47 31.55 2rpr s TRP 42 CO 0.23 -0.20 0.22 0.00 0.02 0.00 0.00 176.95 177.21 2rpr s MET 43 N -3.90 0.19 -0.48 4.98 0.23 -0.27 -1.31 119.30 118.74 2rpr s MET 43 Ca 0.20 0.45 -0.38 0.00 -1.03 0.00 0.00 55.69 54.94 2rpr s MET 43 Cb 0.06 -0.08 -0.15 0.00 -1.53 0.00 0.00 34.83 33.12 2rpr s MET 43 CO 0.01 -0.14 2.24 0.00 -2.03 0.00 0.00 175.02 175.10 2rpr h ARG 45 N 11.42 0.00 -1.94 0.00 0.11 -1.25 -0.08 114.38 122.63 2rpr h ARG 45 Ca -0.18 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.81 2rpr h ARG 45 Cb 1.35 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.40 2rpr h ARG 45 CO 1.09 0.00 -0.01 -0.25 0.10 0.00 0.00 179.97 180.90 2rpr n ASP 46 N -3.13 5.49 0.05 0.08 8.00 -1.26 -4.10 116.55 121.68 2rpr n ASP 46 Ca 0.13 -2.52 -0.17 0.00 0.71 0.00 0.00 54.79 52.94 2rpr n ASP 46 Cb 1.15 -1.18 -0.14 0.00 -0.02 0.00 0.00 41.12 40.93 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 1.47 0.24 0.00 -1.24 3.07 -1.10 0.19 115.11 117.74 2rpr h GLN 47 Ca 0.08 -0.41 0.00 0.00 0.09 0.00 0.00 58.65 58.41 2rpr h GLN 47 Cb 1.08 0.15 0.00 0.00 0.08 0.00 0.00 27.48 28.79 2rpr h GLN 47 CO 0.15 1.08 -1.30 0.00 0.09 0.00 0.00 178.83 178.85 2rpr n ALA 48 N -2.72 3.71 -0.12 0.06 0.00 -1.26 -2.96 120.51 117.22 2rpr n ALA 48 Ca -0.19 -0.51 -0.21 0.00 0.00 0.00 0.00 53.44 52.53 2rpr n ALA 48 Cb 1.05 -0.84 -0.07 0.00 0.00 0.00 0.00 19.45 19.59 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 -1.89 0.56 -0.87 0.00 3.00 -1.26 -4.58 116.66 111.62 2rpr n ARG 49 Ca 0.01 0.28 -0.07 0.00 -0.00 0.00 0.00 57.85 58.07 2rpr n ARG 49 Cb 0.44 -1.50 0.22 0.00 0.00 0.00 0.00 32.46 31.62 2rpr n ARG 49 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2rpr n LEU 50 N -4.35 4.94 -3.80 6.15 4.77 -0.82 -4.95 117.00 118.94 2rpr n LEU 50 Ca -0.38 -3.54 -0.25 0.00 -0.03 0.00 0.00 56.01 51.81 2rpr n LEU 50 Cb 0.73 -0.68 -0.07 0.00 -2.33 0.00 0.00 43.42 41.07 2rpr n LEU 50 CO 0.10 1.05 -0.28 0.61 -1.33 0.00 0.00 177.39 177.54 2rpr n GLY 51 N -0.89 -0.15 3.88 -0.72 0.00 -1.04 -4.84 105.19 101.43 2rpr n GLY 51 Ca 0.38 0.11 -0.36 0.00 0.00 0.00 0.00 46.02 46.15 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 1.45 -0.10 -1.61 0.00 3.00 -1.26 -3.81 116.66 114.33 2rpr n ARG 53 Ca -0.14 -0.56 -0.51 0.00 -0.01 0.00 0.00 57.85 56.63 2rpr n ARG 53 Cb 0.53 -1.00 -0.06 0.00 0.00 0.00 0.00 32.46 31.94 2rpr n ARG 53 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2rpr n SER 54 N 0.01 2.77 -4.81 0.55 2.88 -1.24 -4.75 113.62 109.03 2rpr n SER 54 Ca 0.01 0.76 -0.24 0.00 -1.33 0.00 0.00 58.87 58.08 2rpr n SER 54 Cb 0.05 -1.29 -0.05 0.00 -0.75 0.00 0.00 64.21 62.16 2rpr n SER 54 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2rpr s ARG 55 N 4.82 2.33 -0.03 -1.46 0.52 -1.26 -0.38 118.95 123.48 2rpr s ARG 55 Ca 1.00 -1.77 -0.30 0.00 -0.52 0.00 0.00 55.73 54.14 2rpr s ARG 55 Cb -0.81 -2.12 0.07 0.00 0.52 0.00 0.00 34.95 32.61 2rpr s ARG 55 CO 0.53 -0.21 0.69 0.00 0.02 0.00 0.00 175.30 176.34 2rpr s ALA 56 N -2.58 -1.76 -0.12 2.13 0.00 -0.43 -0.86 121.76 118.13 2rpr s ALA 56 Ca 0.42 1.23 0.01 0.00 0.00 0.00 0.00 51.96 53.62 2rpr s ALA 56 Cb 0.01 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 2rpr s ALA 56 CO 0.24 -0.42 -0.16 0.42 0.00 0.00 0.00 175.76 175.84 2rpr s ILE 57 N -1.52 2.82 -0.04 0.00 1.01 0.20 0.18 121.20 123.85 2rpr s ILE 57 Ca -0.09 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 59.84 2rpr s ILE 57 Cb -0.00 -2.16 -0.03 0.00 0.01 0.00 0.00 42.46 40.28 2rpr s ILE 57 CO 0.06 0.53 -0.08 0.42 0.00 0.00 0.00 174.94 175.88 2rpr s THR 58 N 0.33 3.56 -0.22 2.92 -4.23 0.64 0.23 115.64 118.87 2rpr s THR 58 Ca -0.13 -0.63 -0.03 0.00 -1.18 0.00 0.00 61.69 59.72 2rpr s THR 58 Cb -0.16 -2.48 0.11 0.00 1.34 0.00 0.00 72.50 71.31 2rpr s THR 58 CO 0.06 0.53 0.26 -1.10 -0.54 0.00 0.00 174.62 173.83 2rpr s GLN 59 N -1.01 0.24 3.19 3.99 -0.21 -1.15 -1.57 119.66 123.14 2rpr s GLN 59 Ca 0.14 0.25 0.00 0.00 0.02 0.00 0.00 55.36 55.77 2rpr s GLN 59 Cb -0.11 -1.00 0.00 0.00 1.00 0.00 0.00 33.01 32.90 2rpr s GLN 59 CO 0.03 -0.68 0.00 0.41 -2.12 0.00 0.00 175.29 172.93 2rpr n GLY 60 N 5.33 1.72 0.00 3.09 0.00 -1.26 -2.40 105.19 111.67 2rpr n GLY 60 Ca -0.05 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.23 1.61 -0.00 -1.26 -5.00 115.22 107.34 2rpr n HIS 61 Ca 0.00 -0.03 -0.14 0.00 0.46 0.00 0.00 57.72 58.01 2rpr n HIS 61 Cb 0.00 -0.00 0.03 0.00 -0.12 0.00 0.00 29.99 29.90 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 -0.03 0.80 -3.80 1.57 5.12 -1.01 -2.76 116.66 116.55 2rpr n ARG 62 Ca 0.00 -2.13 -0.10 0.00 -1.93 0.00 0.00 57.85 53.70 2rpr n ARG 62 Cb 0.14 -0.05 -0.06 0.00 -1.16 0.00 0.00 32.46 31.34 2rpr n ARG 62 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 2rpr s ILE 63 N -1.50 0.08 0.00 0.55 2.07 -1.26 -2.94 121.20 118.21 2rpr s ILE 63 Ca 0.35 -0.99 0.01 0.00 -1.41 0.00 0.00 60.65 58.60 2rpr s ILE 63 Cb -0.03 -1.44 -0.00 0.00 0.13 0.00 0.00 42.46 41.11 2rpr s ILE 63 CO 0.22 -0.39 -0.02 -0.32 -1.91 0.00 0.00 174.94 172.52 2rpr s MET 64 N -3.87 0.18 -0.14 3.50 -2.45 0.62 -4.93 119.30 112.21 2rpr s MET 64 Ca 0.08 -0.14 -0.04 0.00 -1.25 0.00 0.00 55.69 54.33 2rpr s MET 64 Cb 0.03 -0.13 -0.03 0.00 1.25 0.00 0.00 34.83 35.95 2rpr s MET 64 CO -0.07 0.03 0.01 0.08 1.05 0.00 0.00 175.02 176.12 2rpr s VAL 65 N -0.22 4.36 -0.08 10.11 1.01 -1.26 0.61 120.40 134.93 2rpr s VAL 65 Ca -0.01 -0.20 -0.06 0.00 0.00 0.00 0.00 61.98 61.70 2rpr s VAL 65 Cb -0.02 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 2rpr s VAL 65 CO -0.00 0.52 -0.12 0.23 0.00 0.00 0.00 175.10 175.73 2rpr n MET 66 N 3.07 0.24 -4.27 2.72 2.81 -0.04 -4.93 117.12 116.71 2rpr n MET 66 Ca -0.18 0.28 -0.28 0.00 -1.81 0.00 0.00 57.70 55.72 2rpr n MET 66 Cb 0.53 -1.12 -0.05 0.00 -0.71 0.00 0.00 33.22 31.87 2rpr n MET 66 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2rpr n ARG 67 N -3.43 0.93 -1.66 0.03 1.74 -1.25 -4.95 116.66 108.07 2rpr n ARG 67 Ca -0.05 -3.18 -0.13 0.00 -0.77 0.00 0.00 57.85 53.72 2rpr n ARG 67 Cb 0.18 0.83 0.07 0.00 -1.02 0.00 0.00 32.46 32.51 2rpr n ARG 67 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2rpr n SER 68 N -1.29 0.71 -4.40 0.55 3.41 -1.26 -4.50 113.62 106.84 2rpr n SER 68 Ca -0.17 -1.61 -0.31 0.00 -0.26 0.00 0.00 58.87 56.52 2rpr n SER 68 Cb 0.55 -0.37 -0.14 0.00 -0.26 0.00 0.00 64.21 64.00 2rpr n SER 68 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2rpr s HIS 69 N -1.65 2.46 -1.80 7.33 0.09 -1.26 -3.67 115.29 116.79 2rpr s HIS 69 Ca 0.37 -0.33 0.19 0.00 -0.00 0.00 0.00 55.06 55.29 2rpr s HIS 69 Cb -0.02 -1.45 0.58 0.00 -0.00 0.00 0.00 32.58 31.69 2rpr s HIS 69 CO 0.25 0.18 1.48 0.00 -0.00 0.00 0.00 174.74 176.64 2rpr s HIS 71 N -1.31 0.99 0.14 0.00 -3.43 -1.26 -5.09 115.29 105.33 2rpr s HIS 71 Ca 0.43 -1.23 -0.01 0.00 -0.80 0.00 0.00 55.06 53.45 2rpr s HIS 71 Cb 0.24 -0.54 -0.04 0.00 -1.43 0.00 0.00 32.58 30.80 2rpr s HIS 71 CO 0.27 -0.49 0.33 -0.65 -2.00 0.00 0.00 174.74 172.20 2rpr s GLN 72 N -4.05 3.51 0.78 -0.38 -0.21 -1.26 -5.09 119.66 112.96 2rpr s GLN 72 Ca 0.27 -0.34 -0.11 0.00 0.02 0.00 0.00 55.36 55.21 2rpr s GLN 72 Cb 0.07 -2.91 0.06 0.00 1.00 0.00 0.00 33.01 31.24 2rpr s GLN 72 CO 0.04 0.49 1.09 -1.25 -2.12 0.00 0.00 175.29 173.54 2rpr s PRO 73 N -2.94 2.18 -0.33 2.91 0.04 -1.26 -5.05 135.00 130.55 2rpr s PRO 73 Ca 0.38 1.15 -0.01 0.00 0.04 0.00 0.00 61.00 62.56 2rpr s PRO 73 Cb -0.12 -1.89 0.13 0.00 0.04 0.00 0.00 34.50 32.66 2rpr s PRO 73 CO 0.28 -1.69 0.19 -0.51 0.04 0.00 0.00 177.00 175.30 2rpr s ASP 74 N -3.39 3.10 0.62 6.66 1.01 -1.25 -4.98 116.67 118.46 2rpr s ASP 74 Ca 0.61 -1.85 0.38 0.00 0.71 0.00 0.00 52.55 52.40 2rpr s ASP 74 Cb -0.17 -0.35 2.10 0.00 1.01 0.00 0.00 42.92 45.51 2rpr s ASP 74 CO 0.56 -0.35 2.29 -0.07 0.21 0.00 0.00 175.17 177.81 2rpr h LEU 75 N 7.50 0.00 0.27 1.23 3.38 -1.97 -1.83 115.31 123.89 2rpr h LEU 75 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2rpr h LEU 75 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2rpr h LEU 75 CO 0.32 0.01 -0.13 0.00 0.09 0.00 0.00 178.44 178.73 2rpr h ALA 76 N 1.99 -0.36 0.00 1.53 0.00 -1.98 0.54 119.26 120.98 2rpr h ALA 76 Ca -0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 2rpr h ALA 76 Cb 0.06 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2rpr h ALA 76 CO 0.00 -0.45 -0.28 0.78 0.00 0.00 0.00 179.25 179.30 2rpr h GLY 77 N -0.87 0.00 0.29 0.00 0.00 -1.92 -1.54 103.07 99.03 2rpr h GLY 77 Ca -0.04 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 2rpr h GLY 77 CO 0.06 0.00 -0.17 -2.00 0.00 0.00 0.00 176.54 174.43 2rpr h LEU 78 N 0.00 0.13 -1.98 3.11 5.85 -1.38 -3.24 115.31 117.80 2rpr h LEU 78 Ca -0.00 -0.86 -0.02 0.00 0.84 0.00 0.00 57.88 57.84 2rpr h LEU 78 Cb 0.53 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 2rpr h LEU 78 CO 0.04 0.97 -0.10 -0.33 -0.34 0.00 0.00 178.44 178.67 2rpr h GLU 79 N -0.70 0.00 0.00 1.25 5.08 -0.82 -1.64 114.58 117.74 2rpr h GLU 79 Ca -0.02 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 2rpr h GLU 79 Cb 1.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 2rpr h GLU 79 CO 0.03 0.10 -0.30 0.00 -1.00 0.00 0.00 179.01 177.85 2rpr h ALA 80 N 1.90 1.08 0.01 3.43 0.00 -1.32 -2.71 119.26 121.64 2rpr h ALA 80 Ca -0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2rpr h ALA 80 Cb 0.29 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2rpr h ALA 80 CO 0.01 0.37 -0.05 -0.07 0.00 0.00 0.00 179.25 179.52 2rpr h LEU 81 N 0.00 0.03 0.03 0.00 3.38 -1.33 -3.33 115.31 114.09 2rpr h LEU 81 Ca -0.00 -0.95 0.03 0.00 0.09 0.00 0.00 57.88 57.04 2rpr h LEU 81 Cb 0.75 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 2rpr h LEU 81 CO 0.04 0.98 -0.23 0.03 0.09 0.00 0.00 178.44 179.36 2rpr h ARG 82 N -0.91 -0.36 -1.00 1.13 3.08 -1.53 -1.83 114.38 112.96 2rpr h ARG 82 Ca -0.01 0.02 0.40 0.00 0.07 0.00 0.00 59.98 60.47 2rpr h ARG 82 Cb 1.00 0.08 -0.18 0.00 0.08 0.00 0.00 29.97 30.95 2rpr h ARG 82 CO 0.01 -0.24 0.52 -0.56 -1.07 0.00 0.00 179.97 178.63 2rpr h GLN 83 N -0.37 0.03 -0.77 0.04 3.07 -1.44 1.47 115.11 117.15 2rpr h GLN 83 Ca 0.05 -0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.75 2rpr h GLN 83 Cb 0.44 -0.01 -0.03 0.00 0.08 0.00 0.00 27.48 27.96 2rpr h GLN 83 CO -0.18 0.02 0.34 0.00 0.09 0.00 0.00 178.83 179.09 2rpr h ARG 84 N 0.03 1.12 0.04 0.06 3.08 -1.44 -3.28 114.38 113.99 2rpr h ARG 84 Ca 0.83 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.69 2rpr h ARG 84 Cb 2.15 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 32.01 2rpr h ARG 84 CO -0.76 0.89 -0.02 0.93 -1.07 0.00 0.00 179.97 179.94 2rpr h GLU 85 N 1.09 -0.05 -4.88 0.04 4.39 0.19 -3.48 114.58 111.87 2rpr h GLU 85 Ca 0.26 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.66 2rpr h GLU 85 Cb 0.17 0.01 -0.15 0.00 -0.10 0.00 0.00 28.75 28.68 2rpr h GLU 85 CO -0.03 0.26 -0.67 -0.98 -1.16 0.00 0.00 179.01 176.43 2rpr s ARG 86 N -2.01 1.13 0.00 2.33 1.04 0.12 -5.12 118.95 116.44 2rpr s ARG 86 Ca -0.07 -1.54 0.00 0.00 -1.04 0.00 0.00 55.73 53.09 2rpr s ARG 86 Cb -0.01 -0.38 0.00 0.00 -2.04 0.00 0.00 34.95 32.53 2rpr s ARG 86 CO 0.24 -0.09 0.43 1.28 -0.04 0.00 0.00 175.30 177.12