#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rpr s SER 2 N 0.00 6.47 0.00 1.61 0.15 -1.26 -5.05 113.70 115.61 2rpr s SER 2 Ca 0.00 2.21 0.02 0.00 0.70 0.00 0.00 55.95 58.88 2rpr s SER 2 Cb 0.00 -2.60 -0.01 0.00 -1.71 0.00 0.00 66.02 61.71 2rpr s SER 2 CO 0.00 -0.71 -0.06 -0.94 1.20 0.00 0.00 173.24 172.73 2rpr s SER 3 N -1.40 0.75 0.30 5.45 1.04 -1.26 -5.15 113.70 113.43 2rpr s SER 3 Ca 0.60 -0.15 -0.14 0.00 0.48 0.00 0.00 55.95 56.73 2rpr s SER 3 Cb -0.26 -0.07 0.06 0.00 0.10 0.00 0.00 66.02 65.84 2rpr s SER 3 CO 0.33 0.05 0.74 0.61 0.98 0.00 0.00 173.24 175.95 2rpr n GLY 4 N 2.79 1.01 3.92 7.32 0.00 -1.26 -5.17 105.19 113.79 2rpr n GLY 4 Ca -0.14 -1.20 -0.28 0.00 0.00 0.00 0.00 46.02 44.41 2rpr n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rpr s SER 5 N -2.88 6.40 0.20 1.61 0.15 -1.26 -5.11 113.70 112.81 2rpr s SER 5 Ca 0.15 0.61 0.09 0.00 0.70 0.00 0.00 55.95 57.50 2rpr s SER 5 Cb -0.04 -2.10 -0.05 0.00 -1.71 0.00 0.00 66.02 62.13 2rpr s SER 5 CO 0.09 -0.18 -0.17 -0.44 1.20 0.00 0.00 173.24 173.74 2rpr s SER 6 N -3.32 2.79 0.00 5.45 0.01 -1.26 -4.96 113.70 112.41 2rpr s SER 6 Ca 0.42 -0.96 0.00 0.00 1.31 0.00 0.00 55.95 56.72 2rpr s SER 6 Cb -0.11 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 65.95 2rpr s SER 6 CO 0.31 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.49 2rpr n GLY 7 N -0.16 1.12 3.54 3.44 0.00 -1.26 -4.87 105.19 107.00 2rpr n GLY 7 Ca -0.09 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 2rpr n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2rpr s LEU 8 N 0.00 4.02 0.35 0.99 2.96 -1.26 -4.99 118.68 120.75 2rpr s LEU 8 Ca 0.00 -2.07 -0.26 0.00 -0.22 0.00 0.00 54.13 51.59 2rpr s LEU 8 Cb 0.00 -2.53 -0.09 0.00 0.50 0.00 0.00 46.19 44.07 2rpr s LEU 8 CO 0.00 -1.24 1.04 -0.13 -1.32 0.00 0.00 176.35 174.70 2rpr s ARG 9 N 4.00 4.36 0.77 1.98 0.52 -1.26 -5.01 118.95 124.30 2rpr s ARG 9 Ca 0.47 1.55 -0.13 0.00 -0.52 0.00 0.00 55.73 57.10 2rpr s ARG 9 Cb 0.00 -2.76 0.19 0.00 0.52 0.00 0.00 34.95 32.91 2rpr s ARG 9 CO -0.02 0.03 0.68 -0.35 0.02 0.00 0.00 175.30 175.65 2rpr n PRO 10 N 0.37 -2.36 -4.12 3.54 -0.04 -1.25 -4.15 135.00 126.98 2rpr n PRO 10 Ca 0.03 -1.09 -0.13 0.00 -0.04 0.00 0.00 63.50 62.27 2rpr n PRO 10 Cb 0.48 -1.02 -0.11 0.00 -0.04 0.00 0.00 33.50 32.81 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 2.36 0.13 1.53 2.96 -1.20 -4.81 118.68 119.65 2rpr s LEU 11 Ca 0.44 -0.74 0.10 0.00 -0.22 0.00 0.00 54.13 53.71 2rpr s LEU 11 Cb -0.04 -0.18 -0.04 0.00 0.50 0.00 0.00 46.19 46.43 2rpr s LEU 11 CO 0.34 -0.29 -0.24 -0.70 -1.32 0.00 0.00 176.35 174.14 2rpr s GLU 12 N -2.51 1.55 0.17 1.98 2.56 -1.26 -5.07 118.70 116.13 2rpr s GLU 12 Ca -0.00 -1.29 -0.01 0.00 0.00 0.00 0.00 54.97 53.67 2rpr s GLU 12 Cb -0.04 -1.98 -0.04 0.00 2.00 0.00 0.00 34.13 34.07 2rpr s GLU 12 CO -0.01 0.46 0.10 -0.06 -0.56 0.00 0.00 175.26 175.19 2rpr s PHE 13 N -1.10 1.04 -0.11 5.30 0.40 -1.26 -0.85 117.98 121.41 2rpr s PHE 13 Ca 0.16 -1.32 -0.02 0.00 -0.60 0.00 0.00 56.93 55.15 2rpr s PHE 13 Cb -0.10 -0.53 0.04 0.00 0.51 0.00 0.00 43.02 42.94 2rpr s PHE 13 CO 0.08 -0.59 0.01 -0.51 0.70 0.00 0.00 175.22 174.91 2rpr s LEU 14 N -3.11 0.74 0.20 -0.37 1.43 -0.90 -4.85 118.68 111.82 2rpr s LEU 14 Ca 0.33 -0.29 -0.30 0.00 -1.03 0.00 0.00 54.13 52.84 2rpr s LEU 14 Cb 0.07 -0.48 -0.08 0.00 0.03 0.00 0.00 46.19 45.73 2rpr s LEU 14 CO 0.08 -0.22 1.20 -0.60 0.23 0.00 0.00 176.35 177.04 2rpr s ARG 15 N 1.94 4.49 0.39 1.70 3.52 -1.26 -0.30 118.95 129.42 2rpr s ARG 15 Ca 0.03 1.90 0.08 0.00 -0.13 0.00 0.00 55.73 57.61 2rpr s ARG 15 Cb -0.14 -3.22 -0.06 0.00 -1.56 0.00 0.00 34.95 29.97 2rpr s ARG 15 CO -0.06 -0.08 0.07 0.95 -0.81 0.00 0.00 175.30 175.37 2rpr s THR 16 N -0.19 2.32 -0.15 4.11 -4.23 0.11 -4.92 115.64 112.70 2rpr s THR 16 Ca 0.52 -1.89 -0.09 0.00 -1.18 0.00 0.00 61.69 59.05 2rpr s THR 16 Cb -0.33 -2.92 -0.06 0.00 1.34 0.00 0.00 72.50 70.53 2rpr s THR 16 CO 0.38 -0.07 -0.22 -0.24 -0.54 0.00 0.00 174.62 173.93 2rpr n SER 17 N -1.05 1.30 0.18 3.99 2.88 -1.26 -4.55 113.62 115.09 2rpr n SER 17 Ca -0.03 0.22 -0.13 0.00 -1.33 0.00 0.00 58.87 57.59 2rpr n SER 17 Cb 0.64 -0.52 -0.08 0.00 -0.75 0.00 0.00 64.21 63.51 2rpr n SER 17 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2rpr h LEU 18 N -0.61 -0.39 0.00 2.46 3.38 -2.05 -3.43 115.31 114.67 2rpr h LEU 18 Ca -0.32 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2rpr h LEU 18 Cb 1.19 0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2rpr h LEU 18 CO -0.20 -0.03 0.00 0.61 0.09 0.00 0.00 178.44 178.91 2rpr n GLY 19 N -0.36 1.53 0.00 0.83 0.00 -1.26 -5.12 105.19 100.80 2rpr n GLY 19 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 4.38 0.65 3.39 -0.02 0.00 -1.26 -4.98 105.19 107.35 2rpr n GLY 20 Ca 0.00 0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.99 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 1.25 1.42 0.28 1.61 6.06 -1.26 0.05 118.95 128.36 2rpr s ARG 21 Ca 0.00 -1.35 0.10 0.00 -2.50 0.00 0.00 55.73 51.99 2rpr s ARG 21 Cb 0.00 -1.91 -0.05 0.00 0.06 0.00 0.00 34.95 33.06 2rpr s ARG 21 CO 0.00 0.45 -0.08 -0.06 -2.50 0.00 0.00 175.30 173.11 2rpr s PHE 22 N -1.08 2.52 -0.21 5.12 0.08 0.59 -4.61 117.98 120.39 2rpr s PHE 22 Ca 0.14 -0.29 0.01 0.00 0.12 0.00 0.00 56.93 56.92 2rpr s PHE 22 Cb -0.10 -1.15 0.04 0.00 -0.57 0.00 0.00 43.02 41.24 2rpr s PHE 22 CO 0.06 0.64 -0.12 -1.17 -0.10 0.00 0.00 175.22 174.54 2rpr s LEU 23 N -3.62 2.58 -0.30 -0.37 2.96 -0.88 -2.12 118.68 116.94 2rpr s LEU 23 Ca 0.31 -1.01 -0.22 0.00 -0.22 0.00 0.00 54.13 53.00 2rpr s LEU 23 Cb -0.05 -1.35 -0.01 0.00 0.50 0.00 0.00 46.19 45.28 2rpr s LEU 23 CO 0.18 -0.14 0.70 -0.69 -1.32 0.00 0.00 176.35 175.08 2rpr s VAL 24 N 1.30 4.88 -0.20 1.68 1.01 -0.03 -1.80 120.40 127.24 2rpr s VAL 24 Ca -0.03 1.03 -0.09 0.00 0.00 0.00 0.00 61.98 62.90 2rpr s VAL 24 Cb -0.17 -4.06 0.08 0.00 0.00 0.00 0.00 36.38 32.23 2rpr s VAL 24 CO -0.08 -0.17 0.46 -2.28 0.00 0.00 0.00 175.10 173.03 2rpr s HIS 25 N 2.75 -0.79 -1.14 5.22 5.04 -1.09 -3.99 115.29 121.29 2rpr s HIS 25 Ca 0.28 1.55 -0.04 0.00 -1.54 0.00 0.00 55.06 55.32 2rpr s HIS 25 Cb -0.15 0.36 0.00 0.00 0.04 0.00 0.00 32.58 32.84 2rpr s HIS 25 CO 0.12 -0.45 0.97 0.39 -2.34 0.00 0.00 174.74 173.43 2rpr n GLU 26 N 4.85 -6.49 -1.61 2.88 -0.58 -1.26 -1.70 120.64 116.73 2rpr n GLU 26 Ca -0.16 0.75 -0.14 0.00 -0.42 0.00 0.00 57.16 57.19 2rpr n GLU 26 Cb 0.53 -5.51 -0.05 0.00 -0.57 0.00 0.00 31.44 25.83 2rpr n GLU 26 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2rpr n SER 27 N -2.73 -3.88 -4.78 1.62 3.41 -1.26 -4.91 113.62 101.09 2rpr n SER 27 Ca -0.13 0.31 -0.34 0.00 -0.26 0.00 0.00 58.87 58.46 2rpr n SER 27 Cb 0.61 -3.52 -0.07 0.00 -0.26 0.00 0.00 64.21 60.97 2rpr n SER 27 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2rpr n PHE 28 N -2.26 1.15 -4.57 7.33 3.72 -0.69 -4.26 117.46 117.88 2rpr n PHE 28 Ca -0.15 -2.59 -0.22 0.00 -0.05 0.00 0.00 57.45 54.44 2rpr n PHE 28 Cb 0.50 -0.35 -0.15 0.00 -0.94 0.00 0.00 39.48 38.53 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 1.89 0.22 4.37 1.43 -1.26 -2.66 118.68 122.68 2rpr s LEU 29 Ca 0.01 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 52.89 2rpr s LEU 29 Cb -0.00 -0.70 -0.05 0.00 0.03 0.00 0.00 46.19 45.47 2rpr s LEU 29 CO 0.01 0.12 0.04 -0.31 0.23 0.00 0.00 176.35 176.44 2rpr s TYR 30 N -0.00 1.45 -0.02 0.29 1.51 -0.74 -1.52 117.35 118.31 2rpr s TYR 30 Ca -0.01 -1.06 0.04 0.00 -1.01 0.00 0.00 57.07 55.03 2rpr s TYR 30 Cb -0.08 -0.84 -0.01 0.00 -0.11 0.00 0.00 41.96 40.92 2rpr s TYR 30 CO 0.01 -0.21 -0.12 1.03 -1.11 0.00 0.00 175.55 175.14 2rpr s ARG 31 N -3.95 1.09 -0.04 -0.62 0.52 0.53 -2.08 118.95 114.41 2rpr s ARG 31 Ca 0.31 -0.43 -0.32 0.00 -0.52 0.00 0.00 55.73 54.77 2rpr s ARG 31 Cb 0.07 -1.03 -0.11 0.00 0.52 0.00 0.00 34.95 34.40 2rpr s ARG 31 CO 0.09 0.22 1.93 1.17 0.02 0.00 0.00 175.30 178.73 2rpr n LYS 32 N 2.96 2.47 -0.10 3.54 4.81 -1.26 -1.36 118.16 129.21 2rpr n LYS 32 Ca -0.16 0.90 -0.17 0.00 -0.87 0.00 0.00 58.31 58.02 2rpr n LYS 32 Cb 0.55 -2.80 -0.06 0.00 0.02 0.00 0.00 35.03 32.73 2rpr n LYS 32 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2rpr n GLU 33 N 7.06 0.54 -4.02 1.64 2.13 0.65 -4.93 120.64 123.70 2rpr n GLU 33 Ca 0.22 0.37 -0.13 0.00 0.66 0.00 0.00 57.16 58.27 2rpr n GLU 33 Cb 0.34 -1.57 -0.02 0.00 0.27 0.00 0.00 31.44 30.46 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 -2.54 2.01 -0.04 5.31 -2.85 -1.23 -4.99 119.74 115.40 2rpr s LYS 34 Ca -0.29 -1.68 -0.02 0.00 -1.00 0.00 0.00 55.97 52.98 2rpr s LYS 34 Cb 0.07 0.49 0.03 0.00 -2.06 0.00 0.00 37.83 36.36 2rpr s LYS 34 CO 0.43 -0.86 0.04 0.00 0.10 0.00 0.00 175.35 175.07 2rpr s ALA 35 N -2.85 0.31 -1.04 0.59 0.00 -1.26 -0.25 121.76 117.27 2rpr s ALA 35 Ca 0.27 0.14 -0.05 0.00 0.00 0.00 0.00 51.96 52.31 2rpr s ALA 35 Cb -0.02 -0.60 0.08 0.00 0.00 0.00 0.00 23.12 22.58 2rpr s ALA 35 CO 0.18 -0.44 2.58 0.00 0.00 0.00 0.00 175.76 178.09 2rpr n ALA 36 N 5.13 6.74 0.00 0.00 0.00 -0.21 -4.83 120.51 127.34 2rpr n ALA 36 Ca -0.07 -3.67 0.00 0.00 0.00 0.00 0.00 53.44 49.70 2rpr n ALA 36 Cb 0.50 -2.61 0.00 0.00 0.00 0.00 0.00 19.45 17.34 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 1.61 1.94 0.00 0.00 0.00 -1.26 -3.43 105.19 104.04 2rpr n GLY 37 Ca 0.59 -0.03 0.01 0.00 0.00 0.00 0.00 46.02 46.59 2rpr n GLY 37 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2rpr n GLU 38 N 0.00 0.39 -3.19 1.61 4.07 -1.26 -5.04 120.64 117.21 2rpr n GLU 38 Ca 0.00 -0.02 -0.24 0.00 -0.06 0.00 0.00 57.16 56.84 2rpr n GLU 38 Cb 0.00 -1.07 -0.00 0.00 -0.06 0.00 0.00 31.44 30.31 2rpr n GLU 38 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2rpr s LYS 39 N -2.19 3.37 -0.11 5.31 1.02 -1.22 -4.67 119.74 121.24 2rpr s LYS 39 Ca -0.01 -0.33 -0.02 0.00 0.02 0.00 0.00 55.97 55.62 2rpr s LYS 39 Cb 0.02 -2.61 0.04 0.00 -0.52 0.00 0.00 37.83 34.76 2rpr s LYS 39 CO 0.12 -0.01 0.04 0.08 -0.92 0.00 0.00 175.35 174.66 2rpr s VAL 40 N -2.43 0.23 0.39 3.17 1.01 -0.89 -1.04 120.40 120.84 2rpr s VAL 40 Ca 0.43 -0.01 -0.19 0.00 0.00 0.00 0.00 61.98 62.21 2rpr s VAL 40 Cb -0.10 -0.57 -0.10 0.00 0.00 0.00 0.00 36.38 35.61 2rpr s VAL 40 CO 0.37 0.05 0.89 -0.31 0.00 0.00 0.00 175.10 176.10 2rpr s TYR 41 N 2.02 3.34 0.06 5.22 1.51 0.66 -0.86 117.35 129.30 2rpr s TYR 41 Ca 0.03 1.50 -0.00 0.00 -1.01 0.00 0.00 57.07 57.59 2rpr s TYR 41 Cb -0.14 -2.76 -0.04 0.00 -0.11 0.00 0.00 41.96 38.91 2rpr s TYR 41 CO -0.06 -0.04 -0.04 -1.58 -1.11 0.00 0.00 175.55 172.72 2rpr s TRP 42 N -2.10 0.60 -0.03 2.71 0.52 0.19 -0.25 118.94 120.57 2rpr s TRP 42 Ca 0.59 -0.95 -0.03 0.00 0.02 0.00 0.00 56.10 55.73 2rpr s TRP 42 Cb -0.10 -0.40 0.01 0.00 -1.15 0.00 0.00 33.47 31.83 2rpr s TRP 42 CO 0.15 -0.29 0.09 0.00 0.02 0.00 0.00 176.95 176.91 2rpr s MET 43 N -3.56 0.08 -0.48 4.98 0.23 -0.47 -0.93 119.30 119.16 2rpr s MET 43 Ca 0.05 0.15 -0.37 0.00 -1.03 0.00 0.00 55.69 54.49 2rpr s MET 43 Cb 0.05 -0.01 -0.15 0.00 -1.53 0.00 0.00 34.83 33.19 2rpr s MET 43 CO -0.07 -0.04 2.24 0.00 -2.03 0.00 0.00 175.02 175.11 2rpr h ARG 45 N 11.54 0.00 -1.46 0.00 0.11 -1.54 0.25 114.38 123.28 2rpr h ARG 45 Ca -0.19 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.77 2rpr h ARG 45 Cb 1.35 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 32.37 2rpr h ARG 45 CO 1.09 0.00 0.16 -0.25 0.10 0.00 0.00 179.97 181.07 2rpr n ASP 46 N -3.00 4.70 -0.01 0.08 9.92 -1.26 -4.58 116.55 122.40 2rpr n ASP 46 Ca 0.08 -2.54 -0.07 0.00 -0.53 0.00 0.00 54.79 51.73 2rpr n ASP 46 Cb 1.01 -0.88 -0.05 0.00 -0.64 0.00 0.00 41.12 40.56 2rpr n ASP 46 CO 0.00 0.00 0.00 -0.61 0.13 0.00 0.00 177.20 176.72 2rpr h GLN 47 N 0.78 -0.26 0.03 -1.24 5.75 -0.66 -0.84 115.11 118.68 2rpr h GLN 47 Ca 0.13 0.02 -0.33 0.00 -0.15 0.00 0.00 58.65 58.32 2rpr h GLN 47 Cb 1.14 0.06 -0.05 0.00 1.07 0.00 0.00 27.48 29.70 2rpr h GLN 47 CO 0.28 -0.17 -1.95 0.00 -2.65 0.00 0.00 178.83 174.35 2rpr n ALA 48 N -2.79 1.35 -0.19 3.38 0.00 -1.26 -1.15 120.51 119.84 2rpr n ALA 48 Ca -0.03 -0.84 -0.01 0.00 0.00 0.00 0.00 53.44 52.56 2rpr n ALA 48 Cb 0.18 -0.65 0.10 0.00 0.00 0.00 0.00 19.45 19.08 2rpr n ALA 48 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2rpr h ARG 49 N 0.02 0.35 0.00 0.00 1.12 -1.84 -2.93 114.38 111.10 2rpr h ARG 49 Ca -0.38 -0.02 -0.02 0.00 -1.11 0.00 0.00 59.98 58.45 2rpr h ARG 49 Cb 2.05 -0.08 -0.04 0.00 -0.01 0.00 0.00 29.97 31.89 2rpr h ARG 49 CO 0.06 0.23 -0.39 1.28 -3.11 0.00 0.00 179.97 178.04 2rpr n LEU 50 N -5.03 2.20 -4.38 3.80 4.77 -0.37 -4.98 117.00 113.01 2rpr n LEU 50 Ca 0.08 -3.21 -0.37 0.00 -0.03 0.00 0.00 56.01 52.48 2rpr n LEU 50 Cb 0.27 -0.40 -0.09 0.00 -2.33 0.00 0.00 43.42 40.87 2rpr n LEU 50 CO 0.22 0.99 -0.28 0.61 -1.33 0.00 0.00 177.39 177.60 2rpr n GLY 51 N -0.96 -0.28 3.90 -0.72 0.00 -0.74 -4.84 105.19 101.54 2rpr n GLY 51 Ca 0.15 0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 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 0.45 1.29 -2.87 0.00 3.00 -1.26 -4.19 116.66 113.08 2rpr n ARG 53 Ca -0.06 -2.97 -0.42 0.00 -0.01 0.00 0.00 57.85 54.39 2rpr n ARG 53 Cb 0.52 -1.08 -0.04 0.00 0.00 0.00 0.00 32.46 31.86 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 -2.95 6.78 0.05 0.55 0.15 -1.25 -4.76 113.70 112.26 2rpr s SER 54 Ca 0.36 0.87 0.05 0.00 0.70 0.00 0.00 55.95 57.93 2rpr s SER 54 Cb 0.37 -2.44 -0.04 0.00 -1.71 0.00 0.00 66.02 62.20 2rpr s SER 54 CO -0.09 -0.62 -0.09 -0.13 1.20 0.00 0.00 173.24 173.51 2rpr s ARG 55 N 3.02 2.34 0.07 5.44 3.00 -1.26 -1.23 118.95 130.32 2rpr s ARG 55 Ca 0.35 -0.87 0.01 0.00 0.00 0.00 0.00 55.73 55.22 2rpr s ARG 55 Cb -0.14 -2.39 -0.04 0.00 0.00 0.00 0.00 34.95 32.38 2rpr s ARG 55 CO 0.11 0.56 -0.05 0.00 0.00 0.00 0.00 175.30 175.91 2rpr s ALA 56 N -1.07 0.70 -0.11 2.13 0.00 -0.11 -1.88 121.76 121.41 2rpr s ALA 56 Ca 0.19 -1.14 0.02 0.00 0.00 0.00 0.00 51.96 51.03 2rpr s ALA 56 Cb -0.11 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.19 2rpr s ALA 56 CO 0.10 -0.23 -0.18 0.42 0.00 0.00 0.00 175.76 175.87 2rpr s ILE 57 N -3.12 1.72 0.11 0.00 1.01 0.25 0.55 121.20 121.72 2rpr s ILE 57 Ca 0.04 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 59.93 2rpr s ILE 57 Cb 0.02 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 2rpr s ILE 57 CO -0.05 0.48 0.19 0.42 0.00 0.00 0.00 174.94 175.99 2rpr s THR 58 N 0.83 5.05 -0.27 2.92 -4.23 -0.04 0.61 115.64 120.52 2rpr s THR 58 Ca -0.09 -0.66 -0.01 0.00 -1.18 0.00 0.00 61.69 59.75 2rpr s THR 58 Cb -0.16 -3.52 0.16 0.00 1.34 0.00 0.00 72.50 70.33 2rpr s THR 58 CO -0.00 0.03 0.46 -1.58 -0.54 0.00 0.00 174.62 173.00 2rpr s GLN 59 N -2.78 0.44 3.47 3.99 -0.44 -0.88 -2.09 119.66 121.36 2rpr s GLN 59 Ca 0.33 0.63 0.00 0.00 -2.50 0.00 0.00 55.36 53.82 2rpr s GLN 59 Cb -0.12 -0.09 0.00 0.00 -1.64 0.00 0.00 33.01 31.16 2rpr s GLN 59 CO 0.26 -0.71 0.00 0.41 0.50 0.00 0.00 175.29 175.75 2rpr n GLY 60 N 5.39 1.58 0.03 2.59 0.00 -1.26 -2.30 105.19 111.22 2rpr n GLY 60 Ca -0.02 0.14 0.01 0.00 0.00 0.00 0.00 46.02 46.15 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 -4.53 1.61 -0.00 -1.26 -5.03 115.22 106.01 2rpr n HIS 61 Ca 0.00 -0.32 -0.30 0.00 0.46 0.00 0.00 57.72 57.56 2rpr n HIS 61 Cb 0.00 -0.04 -0.07 0.00 -0.12 0.00 0.00 29.99 29.76 2rpr n HIS 61 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 2rpr s ARG 62 N -0.69 2.17 0.07 1.57 1.81 -0.97 -3.26 118.95 119.65 2rpr s ARG 62 Ca 0.02 -2.24 -0.05 0.00 -1.72 0.00 0.00 55.73 51.74 2rpr s ARG 62 Cb 0.02 -1.69 -0.02 0.00 -0.45 0.00 0.00 34.95 32.81 2rpr s ARG 62 CO 0.00 -0.34 0.09 -1.50 -0.68 0.00 0.00 175.30 172.88 2rpr s ILE 63 N -2.81 0.17 0.04 1.52 2.07 -1.26 -2.08 121.20 118.85 2rpr s ILE 63 Ca 0.18 -1.41 0.02 0.00 -1.41 0.00 0.00 60.65 58.03 2rpr s ILE 63 Cb 0.02 -1.36 -0.02 0.00 0.13 0.00 0.00 42.46 41.23 2rpr s ILE 63 CO 0.10 -0.78 -0.08 -0.32 -1.91 0.00 0.00 174.94 171.95 2rpr s MET 64 N -3.75 0.53 0.02 3.50 -2.45 0.20 -4.95 119.30 112.40 2rpr s MET 64 Ca 0.05 -0.71 0.09 0.00 -1.25 0.00 0.00 55.69 53.86 2rpr s MET 64 Cb 0.05 -0.33 -0.03 0.00 1.25 0.00 0.00 34.83 35.78 2rpr s MET 64 CO -0.10 0.06 -0.26 0.08 1.05 0.00 0.00 175.02 175.85 2rpr s VAL 65 N -1.25 2.09 0.04 10.11 1.01 -1.26 -0.59 120.40 130.56 2rpr s VAL 65 Ca -0.08 -1.27 -0.01 0.00 0.00 0.00 0.00 61.98 60.61 2rpr s VAL 65 Cb -0.09 -1.77 -0.00 0.00 0.00 0.00 0.00 36.38 34.52 2rpr s VAL 65 CO 0.00 0.45 -0.03 0.23 0.00 0.00 0.00 175.10 175.76 2rpr n MET 66 N 2.04 0.04 -2.44 2.72 2.81 -0.79 -4.98 117.12 116.53 2rpr n MET 66 Ca -0.17 0.02 -0.23 0.00 -1.81 0.00 0.00 57.70 55.51 2rpr n MET 66 Cb 0.52 -0.41 0.06 0.00 -0.71 0.00 0.00 33.22 32.67 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 -1.72 2.24 0.49 0.03 1.81 -1.23 -4.98 118.95 115.58 2rpr s ARG 67 Ca -0.02 -0.61 0.08 0.00 -1.72 0.00 0.00 55.73 53.46 2rpr s ARG 67 Cb 0.00 -2.32 0.03 0.00 -0.45 0.00 0.00 34.95 32.21 2rpr s ARG 67 CO 0.03 -1.07 0.56 -1.12 -0.68 0.00 0.00 175.30 173.02 2rpr s SER 68 N -4.52 5.16 -0.13 0.23 0.01 -1.26 -4.56 113.70 108.63 2rpr s SER 68 Ca 0.60 -0.77 -0.02 0.00 1.31 0.00 0.00 55.95 57.07 2rpr s SER 68 Cb -0.10 -0.16 -0.03 0.00 0.21 0.00 0.00 66.02 65.94 2rpr s SER 68 CO 0.42 -0.97 -0.06 -1.00 0.41 0.00 0.00 173.24 172.05 2rpr s HIS 69 N -2.55 2.98 -1.46 2.43 3.76 -1.26 -3.80 115.29 115.38 2rpr s HIS 69 Ca 0.52 -0.26 0.10 0.00 -0.15 0.00 0.00 55.06 55.27 2rpr s HIS 69 Cb -0.06 -1.88 0.37 0.00 1.11 0.00 0.00 32.58 32.13 2rpr s HIS 69 CO 0.32 0.04 1.23 0.00 -0.85 0.00 0.00 174.74 175.48 2rpr s HIS 71 N -1.65 0.42 0.30 0.00 -3.43 -1.26 -5.07 115.29 104.59 2rpr s HIS 71 Ca 0.27 -0.88 -0.04 0.00 -0.80 0.00 0.00 55.06 53.61 2rpr s HIS 71 Cb 0.17 -0.31 -0.05 0.00 -1.43 0.00 0.00 32.58 30.95 2rpr s HIS 71 CO 0.14 -0.33 0.55 1.14 -2.00 0.00 0.00 174.74 174.24 2rpr s GLN 72 N -3.15 3.61 0.83 -0.38 -2.07 -1.26 -5.08 119.66 112.15 2rpr s GLN 72 Ca -0.00 -0.03 -0.11 0.00 -1.82 0.00 0.00 55.36 53.40 2rpr s GLN 72 Cb 0.02 -2.65 0.09 0.00 -1.09 0.00 0.00 33.01 29.38 2rpr s GLN 72 CO -0.07 0.20 1.09 -1.25 -1.32 0.00 0.00 175.29 173.94 2rpr s PRO 73 N -3.65 1.81 -0.41 9.60 0.04 -1.26 -5.04 135.00 136.09 2rpr s PRO 73 Ca 0.43 1.02 0.04 0.00 0.04 0.00 0.00 61.00 62.53 2rpr s PRO 73 Cb -0.11 -1.86 0.17 0.00 0.04 0.00 0.00 34.50 32.75 2rpr s PRO 73 CO 0.31 -1.91 0.35 -0.25 0.04 0.00 0.00 177.00 175.54 2rpr n ASP 74 N -3.68 -0.55 0.09 6.66 9.92 -1.26 -4.96 116.55 122.77 2rpr n ASP 74 Ca 0.08 -2.38 0.18 0.00 -0.53 0.00 0.00 54.79 52.14 2rpr n ASP 74 Cb 0.54 -0.51 0.51 0.00 -0.64 0.00 0.00 41.12 41.02 2rpr n ASP 74 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2rpr h LEU 75 N 5.61 0.00 -0.31 0.64 3.38 -1.96 0.74 115.31 123.41 2rpr h LEU 75 Ca 0.26 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.08 2rpr h LEU 75 Cb 0.91 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 2rpr h LEU 75 CO 0.36 0.00 -0.43 0.00 0.09 0.00 0.00 178.44 178.46 2rpr h ALA 76 N 0.86 0.47 0.24 1.53 0.00 -1.99 -1.45 119.26 118.91 2rpr h ALA 76 Ca 0.21 -0.47 -0.32 0.00 0.00 0.00 0.00 54.91 54.33 2rpr h ALA 76 Cb 1.77 -0.09 0.04 0.00 0.00 0.00 0.00 17.79 19.50 2rpr h ALA 76 CO -0.00 0.60 -1.44 0.78 0.00 0.00 0.00 179.25 179.18 2rpr h GLY 77 N 0.61 0.59 1.12 0.00 0.00 0.03 -3.18 103.07 102.24 2rpr h GLY 77 Ca 0.03 -1.50 -0.09 0.00 0.00 0.00 0.00 47.33 45.78 2rpr h GLY 77 CO 0.10 1.31 0.03 -2.00 0.00 0.00 0.00 176.54 175.98 2rpr h LEU 78 N 0.09 1.03 -1.47 3.11 5.85 -1.35 -2.67 115.31 119.90 2rpr h LEU 78 Ca -0.25 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.15 2rpr h LEU 78 Cb 2.12 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.86 2rpr h LEU 78 CO 0.26 1.06 -0.09 -0.33 -0.34 0.00 0.00 178.44 179.00 2rpr h GLU 79 N 0.98 0.23 -0.12 1.25 5.08 -1.37 -2.07 114.58 118.56 2rpr h GLU 79 Ca 0.18 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 2rpr h GLU 79 Cb 0.51 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2rpr h GLU 79 CO 0.02 0.34 -0.11 0.00 -1.00 0.00 0.00 179.01 178.26 2rpr h ALA 80 N 1.69 1.59 0.00 3.43 0.00 -1.45 0.44 119.26 124.96 2rpr h ALA 80 Ca 0.05 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 2rpr h ALA 80 Cb 0.31 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2rpr h ALA 80 CO 0.02 0.30 -0.80 -0.07 0.00 0.00 0.00 179.25 178.70 2rpr h LEU 81 N 0.18 0.00 0.13 0.00 3.38 -1.35 -3.26 115.31 114.39 2rpr h LEU 81 Ca 0.04 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.73 2rpr h LEU 81 Cb 0.32 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.07 2rpr h LEU 81 CO 0.02 0.80 -1.27 0.03 0.09 0.00 0.00 178.44 178.11 2rpr h ARG 82 N 0.00 0.28 -0.51 1.13 3.08 -1.10 -3.23 114.38 114.03 2rpr h ARG 82 Ca -0.01 -0.48 0.02 0.00 0.07 0.00 0.00 59.98 59.58 2rpr h ARG 82 Cb 1.58 0.18 -0.03 0.00 0.08 0.00 0.00 29.97 31.79 2rpr h ARG 82 CO 0.10 1.22 0.34 -0.56 -1.07 0.00 0.00 179.97 180.01 2rpr h GLN 83 N 0.08 0.62 -0.00 0.04 -0.00 -0.99 0.15 115.11 115.00 2rpr h GLN 83 Ca -0.14 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.47 2rpr h GLN 83 Cb 1.98 -0.14 0.00 0.00 -0.00 0.00 0.00 27.48 29.32 2rpr h GLN 83 CO 0.20 0.41 -0.08 2.89 -0.00 0.00 0.00 178.83 182.25 2rpr n ARG 84 N -4.47 0.72 -0.08 0.06 1.85 -1.23 -3.58 116.66 109.92 2rpr n ARG 84 Ca 0.05 -0.21 -0.09 0.00 -1.00 0.00 0.00 57.85 56.60 2rpr n ARG 84 Cb 0.10 -1.50 -0.13 0.00 -1.05 0.00 0.00 32.46 29.88 2rpr n ARG 84 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 2rpr n GLU 85 N -0.95 1.19 -3.20 2.89 2.13 0.22 -4.69 120.64 118.23 2rpr n GLU 85 Ca 0.15 -0.01 -0.41 0.00 0.66 0.00 0.00 57.16 57.56 2rpr n GLU 85 Cb 0.26 -1.44 -0.01 0.00 0.27 0.00 0.00 31.44 30.52 2rpr n GLU 85 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2rpr n ARG 86 N -2.64 3.84 0.00 5.31 5.12 0.28 -5.06 116.66 123.51 2rpr n ARG 86 Ca -0.28 -4.54 0.09 0.00 -1.93 0.00 0.00 57.85 51.19 2rpr n ARG 86 Cb 1.05 -2.48 0.08 0.00 -1.16 0.00 0.00 32.46 29.95 2rpr n ARG 86 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59