#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 -1.15 -3.54 1.61 3.41 -1.26 -5.03 113.62 107.66 2rpr n SER 2 Ca 0.00 0.49 -0.15 0.00 -0.26 0.00 0.00 58.87 58.96 2rpr n SER 2 Cb 0.00 -1.26 -0.06 0.00 -0.26 0.00 0.00 64.21 62.63 2rpr n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2rpr s SER 3 N -1.77 -0.54 -0.30 4.04 1.04 -1.26 -5.15 113.70 109.76 2rpr s SER 3 Ca 0.64 0.57 0.01 0.00 0.48 0.00 0.00 55.95 57.66 2rpr s SER 3 Cb -0.29 0.45 0.20 0.00 0.10 0.00 0.00 66.02 66.48 2rpr s SER 3 CO 0.60 -0.52 0.72 -0.83 0.98 0.00 0.00 173.24 174.19 2rpr s GLY 4 N -1.21 -1.19 0.36 7.32 0.00 -1.26 -5.17 107.32 106.18 2rpr s GLY 4 Ca -0.07 1.29 0.08 0.00 0.00 0.00 0.00 44.72 46.02 2rpr s GLY 4 CO 0.06 3.81 0.25 -0.56 0.00 0.00 0.00 173.10 176.66 2rpr s SER 5 N 2.81 4.94 0.00 1.64 0.01 -1.26 -5.01 113.70 116.83 2rpr s SER 5 Ca 0.15 -0.71 0.14 0.00 1.31 0.00 0.00 55.95 56.84 2rpr s SER 5 Cb -0.07 -0.74 0.52 0.00 0.21 0.00 0.00 66.02 65.94 2rpr s SER 5 CO -0.24 -0.43 1.38 -0.24 0.41 0.00 0.00 173.24 174.12 2rpr n SER 6 N -1.33 1.36 -2.23 2.44 2.88 -1.26 -3.87 113.62 111.61 2rpr n SER 6 Ca -0.01 -1.83 -0.15 0.00 -1.33 0.00 0.00 58.87 55.56 2rpr n SER 6 Cb 0.61 -0.13 0.04 0.00 -0.75 0.00 0.00 64.21 63.98 2rpr n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2rpr n GLY 7 N 0.99 4.75 3.15 0.46 0.00 -1.26 -4.98 105.19 108.30 2rpr n GLY 7 Ca 0.12 -2.06 0.04 0.00 0.00 0.00 0.00 46.02 44.12 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 -3.59 -1.36 -0.03 0.99 2.96 -1.25 -5.15 118.68 111.24 2rpr s LEU 8 Ca 0.42 0.73 -0.01 0.00 -0.22 0.00 0.00 54.13 55.06 2rpr s LEU 8 Cb 0.38 2.09 -0.04 0.00 0.50 0.00 0.00 46.19 49.13 2rpr s LEU 8 CO 0.01 -0.25 0.06 -0.13 -1.32 0.00 0.00 176.35 174.72 2rpr s ARG 9 N 2.86 3.06 0.60 1.98 3.00 -1.26 -4.77 118.95 124.42 2rpr s ARG 9 Ca 0.18 -0.46 -0.10 0.00 0.00 0.00 0.00 55.73 55.36 2rpr s ARG 9 Cb -0.14 -2.86 0.15 0.00 0.00 0.00 0.00 34.95 32.10 2rpr s ARG 9 CO -0.21 0.67 0.53 -0.35 0.00 0.00 0.00 175.30 175.94 2rpr n PRO 10 N 1.43 -2.07 -3.98 3.54 -0.04 -1.23 -3.66 135.00 128.99 2rpr n PRO 10 Ca -0.15 -0.85 -0.09 0.00 -0.04 0.00 0.00 63.50 62.37 2rpr n PRO 10 Cb 0.53 -0.80 -0.11 0.00 -0.04 0.00 0.00 33.50 33.08 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 2.20 0.05 1.53 2.96 -1.15 -4.72 118.68 119.54 2rpr s LEU 11 Ca 0.35 -0.52 0.02 0.00 -0.22 0.00 0.00 54.13 53.76 2rpr s LEU 11 Cb -0.03 0.16 -0.04 0.00 0.50 0.00 0.00 46.19 46.78 2rpr s LEU 11 CO 0.27 -0.33 0.07 -0.70 -1.32 0.00 0.00 176.35 174.34 2rpr s GLU 12 N -1.66 2.93 0.24 1.98 2.56 -1.26 -5.07 118.70 118.42 2rpr s GLU 12 Ca -0.14 -0.62 0.02 0.00 0.00 0.00 0.00 54.97 54.22 2rpr s GLU 12 Cb -0.08 -2.76 -0.04 0.00 2.00 0.00 0.00 34.13 33.25 2rpr s GLU 12 CO -0.02 0.59 0.17 -0.06 -0.56 0.00 0.00 175.26 175.39 2rpr s PHE 13 N -1.31 1.36 -0.19 5.30 0.08 -1.26 -1.76 117.98 120.19 2rpr s PHE 13 Ca 0.27 -1.46 -0.06 0.00 0.12 0.00 0.00 56.93 55.80 2rpr s PHE 13 Cb -0.12 -0.62 0.09 0.00 -0.57 0.00 0.00 43.02 41.80 2rpr s PHE 13 CO 0.19 -0.70 0.37 -0.51 -0.10 0.00 0.00 175.22 174.47 2rpr s LEU 14 N -3.23 -0.55 -0.11 -0.37 1.43 -0.47 -4.80 118.68 110.57 2rpr s LEU 14 Ca 0.39 0.78 -0.09 0.00 -1.03 0.00 0.00 54.13 54.18 2rpr s LEU 14 Cb 0.06 1.15 -0.04 0.00 0.03 0.00 0.00 46.19 47.38 2rpr s LEU 14 CO 0.17 -0.24 0.19 -0.13 0.23 0.00 0.00 176.35 176.56 2rpr s ARG 15 N 2.55 3.65 0.33 1.70 0.52 -1.26 0.12 118.95 126.56 2rpr s ARG 15 Ca 0.01 -0.04 0.09 0.00 -0.52 0.00 0.00 55.73 55.27 2rpr s ARG 15 Cb -0.13 -3.24 -0.05 0.00 0.52 0.00 0.00 34.95 32.06 2rpr s ARG 15 CO -0.12 0.68 0.04 0.95 0.02 0.00 0.00 175.30 176.86 2rpr s THR 16 N -0.79 2.80 -0.07 0.02 -4.23 -0.28 -4.68 115.64 108.41 2rpr s THR 16 Ca 0.16 -1.91 0.13 0.00 -1.18 0.00 0.00 61.69 58.89 2rpr s THR 16 Cb -0.13 -2.83 -0.20 0.00 1.34 0.00 0.00 72.50 70.68 2rpr s THR 16 CO 0.05 -0.22 0.21 -1.20 -0.54 0.00 0.00 174.62 172.92 2rpr n SER 17 N -0.99 1.71 -1.13 3.99 7.64 -1.26 -4.39 113.62 119.20 2rpr n SER 17 Ca -0.04 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.96 2rpr n SER 17 Cb 0.62 1.32 0.24 0.00 -1.01 0.00 0.00 64.21 65.38 2rpr n SER 17 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2rpr n LEU 18 N -2.20 3.35 0.00 -3.43 4.32 -1.26 -4.92 117.00 112.86 2rpr n LEU 18 Ca -0.10 -1.48 0.00 0.00 -0.02 0.00 0.00 56.01 54.40 2rpr n LEU 18 Cb 0.60 -0.27 0.00 0.00 -1.62 0.00 0.00 43.42 42.13 2rpr n LEU 18 CO 0.29 0.74 0.00 0.61 -1.22 0.00 0.00 177.39 177.82 2rpr n GLY 19 N 1.49 2.02 0.00 -0.72 0.00 -1.26 -5.19 105.19 101.53 2rpr n GLY 19 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 4.38 3.85 -0.02 0.00 -1.26 -4.92 105.19 107.22 2rpr n GLY 20 Ca 0.00 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.79 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 1.72 3.95 0.18 1.61 3.00 -1.26 -1.13 118.95 127.01 2rpr s ARG 21 Ca 0.00 0.51 0.08 0.00 -1.00 0.00 0.00 55.73 55.32 2rpr s ARG 21 Cb 0.00 -2.61 -0.04 0.00 0.00 0.00 0.00 34.95 32.29 2rpr s ARG 21 CO 0.00 0.28 -0.16 -0.06 0.00 0.00 0.00 175.30 175.36 2rpr s PHE 22 N -1.82 1.71 -0.20 5.12 0.08 0.33 -4.67 117.98 118.53 2rpr s PHE 22 Ca 0.49 -0.53 0.02 0.00 0.12 0.00 0.00 56.93 57.02 2rpr s PHE 22 Cb -0.12 -0.83 0.03 0.00 -0.57 0.00 0.00 43.02 41.54 2rpr s PHE 22 CO 0.19 0.32 -0.16 -1.17 -0.10 0.00 0.00 175.22 174.30 2rpr s LEU 23 N -2.96 2.53 -0.36 -0.37 2.96 -0.74 -1.37 118.68 118.38 2rpr s LEU 23 Ca 0.18 -0.89 -0.20 0.00 -0.22 0.00 0.00 54.13 52.99 2rpr s LEU 23 Cb -0.03 -1.47 0.00 0.00 0.50 0.00 0.00 46.19 45.20 2rpr s LEU 23 CO 0.06 -0.07 0.64 -0.69 -1.32 0.00 0.00 176.35 174.96 2rpr s VAL 24 N 1.25 4.89 -0.18 1.68 1.01 -0.72 -1.45 120.40 126.88 2rpr s VAL 24 Ca 0.00 0.57 -0.09 0.00 0.00 0.00 0.00 61.98 62.46 2rpr s VAL 24 Cb -0.15 -4.08 0.07 0.00 0.00 0.00 0.00 36.38 32.21 2rpr s VAL 24 CO -0.10 -0.32 0.41 -2.28 0.00 0.00 0.00 175.10 172.81 2rpr s HIS 25 N 2.71 -0.65 -1.21 5.22 5.04 -0.95 -3.98 115.29 121.47 2rpr s HIS 25 Ca 0.24 1.35 -0.07 0.00 -1.54 0.00 0.00 55.06 55.04 2rpr s HIS 25 Cb -0.14 0.27 0.01 0.00 0.04 0.00 0.00 32.58 32.75 2rpr s HIS 25 CO 0.15 -0.38 0.86 0.39 -2.34 0.00 0.00 174.74 173.42 2rpr n GLU 26 N 4.59 -6.02 -2.34 2.88 -0.58 -1.26 -1.84 120.64 116.07 2rpr n GLU 26 Ca -0.19 0.73 -0.21 0.00 -0.42 0.00 0.00 57.16 57.07 2rpr n GLU 26 Cb 0.54 -5.38 -0.02 0.00 -0.57 0.00 0.00 31.44 26.01 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 -2.21 -5.92 -4.08 1.62 7.64 -1.26 -4.88 113.62 104.53 2rpr n SER 27 Ca -0.02 0.02 -0.25 0.00 1.01 0.00 0.00 58.87 59.63 2rpr n SER 27 Cb 0.57 -4.95 -0.08 0.00 -1.01 0.00 0.00 64.21 58.74 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 -3.03 1.78 -0.04 1.43 0.08 -0.77 -4.08 117.98 113.35 2rpr s PHE 28 Ca 0.00 -1.31 0.02 0.00 0.12 0.00 0.00 56.93 55.77 2rpr s PHE 28 Cb 0.00 -1.14 0.01 0.00 -0.57 0.00 0.00 43.02 41.32 2rpr s PHE 28 CO 0.00 -0.33 -0.11 -0.51 -0.10 0.00 0.00 175.22 174.18 2rpr s LEU 29 N -3.60 1.69 0.30 -0.37 1.43 -1.26 -2.23 118.68 114.64 2rpr s LEU 29 Ca 0.24 -0.24 0.05 0.00 -1.03 0.00 0.00 54.13 53.15 2rpr s LEU 29 Cb 0.02 -0.69 -0.06 0.00 0.03 0.00 0.00 46.19 45.49 2rpr s LEU 29 CO 0.15 0.05 0.01 -0.31 0.23 0.00 0.00 176.35 176.48 2rpr s TYR 30 N 0.45 1.93 -0.02 0.29 1.51 -0.53 -1.94 117.35 119.04 2rpr s TYR 30 Ca -0.09 -0.85 0.05 0.00 -1.01 0.00 0.00 57.07 55.18 2rpr s TYR 30 Cb -0.12 -1.20 -0.01 0.00 -0.11 0.00 0.00 41.96 40.52 2rpr s TYR 30 CO 0.02 0.12 -0.17 1.03 -1.11 0.00 0.00 175.55 175.44 2rpr s ARG 31 N -3.82 1.44 -0.06 -0.62 0.52 0.12 -1.78 118.95 114.75 2rpr s ARG 31 Ca 0.33 -0.60 -0.30 0.00 -0.52 0.00 0.00 55.73 54.64 2rpr s ARG 31 Cb 0.07 -1.36 -0.08 0.00 0.52 0.00 0.00 34.95 34.10 2rpr s ARG 31 CO 0.13 0.33 2.05 1.17 0.02 0.00 0.00 175.30 179.01 2rpr n LYS 32 N 2.78 2.53 -0.10 3.54 4.81 -1.26 -1.33 118.16 129.13 2rpr n LYS 32 Ca -0.15 0.87 -0.18 0.00 -0.87 0.00 0.00 58.31 57.97 2rpr n LYS 32 Cb 0.54 -3.06 -0.08 0.00 0.02 0.00 0.00 35.03 32.45 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 7.89 0.54 -3.82 1.64 2.13 -0.28 -4.94 120.64 123.79 2rpr n GLU 33 Ca 0.24 0.51 -0.08 0.00 0.66 0.00 0.00 57.16 58.49 2rpr n GLU 33 Cb 0.41 -1.69 0.02 0.00 0.27 0.00 0.00 31.44 30.45 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 2.13 -0.04 5.31 -2.85 -1.24 -5.00 119.74 115.67 2rpr s LYS 34 Ca -0.27 -1.35 -0.02 0.00 -1.00 0.00 0.00 55.97 53.33 2rpr s LYS 34 Cb 0.06 0.61 0.03 0.00 -2.06 0.00 0.00 37.83 36.47 2rpr s LYS 34 CO 0.48 -1.00 0.05 0.00 0.10 0.00 0.00 175.35 174.98 2rpr s ALA 35 N -2.47 0.30 -0.23 0.59 0.00 -1.26 0.15 121.76 118.83 2rpr s ALA 35 Ca 0.15 0.14 -0.00 0.00 0.00 0.00 0.00 51.96 52.25 2rpr s ALA 35 Cb -0.05 -0.64 0.18 0.00 0.00 0.00 0.00 23.12 22.61 2rpr s ALA 35 CO 0.11 -0.48 1.89 0.00 0.00 0.00 0.00 175.76 177.27 2rpr n ALA 36 N 5.28 4.63 0.00 0.00 0.00 -0.76 -4.90 120.51 124.75 2rpr n ALA 36 Ca -0.04 -1.23 0.00 0.00 0.00 0.00 0.00 53.44 52.18 2rpr n ALA 36 Cb 0.50 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 0.49 0.78 0.45 0.00 0.00 -1.26 -4.32 105.19 101.33 2rpr n GLY 37 Ca 0.23 -0.70 0.12 0.00 0.00 0.00 0.00 46.02 45.67 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 1.18 -4.30 1.61 2.13 -1.26 -4.93 120.64 115.06 2rpr n GLU 38 Ca 0.00 -0.90 -0.24 0.00 0.66 0.00 0.00 57.16 56.68 2rpr n GLU 38 Cb 0.00 -1.48 -0.08 0.00 0.27 0.00 0.00 31.44 30.15 2rpr n GLU 38 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2rpr s LYS 39 N -2.44 2.21 -0.08 5.31 1.02 -1.26 -4.59 119.74 119.91 2rpr s LYS 39 Ca 0.21 -1.40 -0.02 0.00 0.02 0.00 0.00 55.97 54.79 2rpr s LYS 39 Cb 0.19 -2.14 0.03 0.00 -0.52 0.00 0.00 37.83 35.38 2rpr s LYS 39 CO 0.53 0.38 0.01 0.08 -0.92 0.00 0.00 175.35 175.44 2rpr s VAL 40 N -2.18 0.30 0.43 3.17 1.01 -0.93 -1.83 120.40 120.37 2rpr s VAL 40 Ca 0.30 0.13 -0.18 0.00 0.00 0.00 0.00 61.98 62.22 2rpr s VAL 40 Cb -0.07 -0.50 -0.10 0.00 0.00 0.00 0.00 36.38 35.71 2rpr s VAL 40 CO 0.19 0.21 0.91 -0.31 0.00 0.00 0.00 175.10 176.10 2rpr s TYR 41 N 2.00 3.36 0.00 5.22 1.51 0.12 -1.07 117.35 128.49 2rpr s TYR 41 Ca 0.05 1.48 -0.02 0.00 -1.01 0.00 0.00 57.07 57.57 2rpr s TYR 41 Cb -0.13 -2.76 -0.01 0.00 -0.11 0.00 0.00 41.96 38.96 2rpr s TYR 41 CO -0.05 -0.13 0.03 -1.58 -1.11 0.00 0.00 175.55 172.71 2rpr s TRP 42 N -2.25 0.10 0.03 2.71 0.52 0.11 -1.13 118.94 119.03 2rpr s TRP 42 Ca 0.59 -0.20 0.05 0.00 0.02 0.00 0.00 56.10 56.56 2rpr s TRP 42 Cb -0.09 -0.08 -0.02 0.00 -1.15 0.00 0.00 33.47 32.12 2rpr s TRP 42 CO 0.19 -0.15 -0.15 0.00 0.02 0.00 0.00 176.95 176.86 2rpr s MET 43 N -0.90 1.02 -0.32 4.98 0.23 -0.44 0.54 119.30 124.42 2rpr s MET 43 Ca -0.10 -0.73 -0.31 0.00 -1.03 0.00 0.00 55.69 53.52 2rpr s MET 43 Cb -0.06 -1.04 -0.09 0.00 -1.53 0.00 0.00 34.83 32.12 2rpr s MET 43 CO -0.00 0.26 2.24 0.00 -2.03 0.00 0.00 175.02 175.49 2rpr n ARG 45 N 8.51 -0.00 -0.95 0.00 1.85 -0.82 -1.42 116.66 123.84 2rpr n ARG 45 Ca 0.37 1.09 -0.15 0.00 -1.00 0.00 0.00 57.85 58.16 2rpr n ARG 45 Cb 0.34 -2.52 -0.13 0.00 -1.05 0.00 0.00 32.46 29.11 2rpr n ARG 45 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2rpr n ASP 46 N -3.95 5.29 -0.02 2.89 8.00 -1.26 -4.42 116.55 123.09 2rpr n ASP 46 Ca 0.45 -2.40 -0.12 0.00 0.71 0.00 0.00 54.79 53.43 2rpr n ASP 46 Cb 2.03 -1.30 -0.10 0.00 -0.02 0.00 0.00 41.12 41.72 2rpr n ASP 46 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 2rpr h GLN 47 N 3.70 -0.05 0.00 -1.24 4.15 -1.36 0.17 115.11 120.48 2rpr h GLN 47 Ca 0.29 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.71 2rpr h GLN 47 Cb 1.15 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.85 2rpr h GLN 47 CO 0.54 0.60 -1.25 0.00 -1.93 0.00 0.00 178.83 176.78 2rpr n ALA 48 N -2.54 3.83 -0.05 3.38 0.00 -1.26 -2.88 120.51 120.99 2rpr n ALA 48 Ca -0.08 -0.52 -0.01 0.00 0.00 0.00 0.00 53.44 52.83 2rpr n ALA 48 Cb 0.33 -0.83 -0.00 0.00 0.00 0.00 0.00 19.45 18.95 2rpr n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rpr h ARG 49 N 0.00 0.00 -0.52 0.00 2.47 -1.84 -3.39 114.38 111.11 2rpr h ARG 49 Ca 0.00 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.51 2rpr h ARG 49 Cb 0.70 0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 28.89 2rpr h ARG 49 CO 0.00 0.00 0.13 1.28 0.56 0.00 0.00 179.97 181.94 2rpr n LEU 50 N -4.44 4.90 -4.27 3.04 4.77 -1.11 -4.95 117.00 114.94 2rpr n LEU 50 Ca -0.01 -3.49 -0.37 0.00 -0.03 0.00 0.00 56.01 52.11 2rpr n LEU 50 Cb 0.04 -0.67 -0.08 0.00 -2.33 0.00 0.00 43.42 40.38 2rpr n LEU 50 CO 0.02 1.02 -0.22 0.61 -1.33 0.00 0.00 177.39 177.49 2rpr n GLY 51 N -0.83 -0.30 3.73 -0.72 0.00 -1.14 -4.88 105.19 101.04 2rpr n GLY 51 Ca 0.37 0.09 -0.36 0.00 0.00 0.00 0.00 46.02 46.12 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 3.59 2.80 -2.18 0.00 3.00 -1.26 -3.92 116.66 118.69 2rpr n ARG 53 Ca -0.12 -2.64 -0.42 0.00 -0.01 0.00 0.00 57.85 54.66 2rpr n ARG 53 Cb 0.52 -1.69 -0.03 0.00 0.00 0.00 0.00 32.46 31.26 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 -1.80 6.83 0.43 0.55 0.15 -1.26 -4.87 113.70 113.74 2rpr s SER 54 Ca 0.37 2.25 0.05 0.00 0.70 0.00 0.00 55.95 59.31 2rpr s SER 54 Cb 0.29 -2.57 -0.05 0.00 -1.71 0.00 0.00 66.02 61.97 2rpr s SER 54 CO 0.10 -0.69 0.02 -0.13 1.20 0.00 0.00 173.24 173.74 2rpr s ARG 55 N 1.69 1.99 0.18 5.44 0.52 -1.26 -0.07 118.95 127.45 2rpr s ARG 55 Ca 0.65 -2.18 -0.17 0.00 -0.52 0.00 0.00 55.73 53.50 2rpr s ARG 55 Cb -0.35 -1.45 0.03 0.00 0.52 0.00 0.00 34.95 33.71 2rpr s ARG 55 CO 0.29 -0.19 0.51 0.00 0.02 0.00 0.00 175.30 175.93 2rpr s ALA 56 N -2.87 -0.96 -0.11 2.13 0.00 0.19 -1.58 121.76 118.56 2rpr s ALA 56 Ca 0.25 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.05 2rpr s ALA 56 Cb 0.07 0.83 0.02 0.00 0.00 0.00 0.00 23.12 24.04 2rpr s ALA 56 CO 0.13 -0.78 -0.10 0.42 0.00 0.00 0.00 175.76 175.43 2rpr s ILE 57 N -3.86 1.16 0.09 0.00 1.01 0.14 0.09 121.20 119.82 2rpr s ILE 57 Ca 0.08 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.35 2rpr s ILE 57 Cb -0.01 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 2rpr s ILE 57 CO -0.05 0.38 0.20 0.42 0.00 0.00 0.00 174.94 175.90 2rpr s THR 58 N 1.49 5.21 -0.28 2.92 -4.23 -0.23 0.22 115.64 120.73 2rpr s THR 58 Ca 0.02 -0.54 -0.04 0.00 -1.18 0.00 0.00 61.69 59.95 2rpr s THR 58 Cb -0.13 -3.57 0.15 0.00 1.34 0.00 0.00 72.50 70.29 2rpr s THR 58 CO -0.07 0.08 0.54 -1.58 -0.54 0.00 0.00 174.62 173.05 2rpr s GLN 59 N -2.67 0.49 4.22 3.99 -0.44 -1.14 -2.18 119.66 121.94 2rpr s GLN 59 Ca 0.34 1.00 0.00 0.00 -2.50 0.00 0.00 55.36 54.20 2rpr s GLN 59 Cb -0.12 0.37 0.00 0.00 -1.64 0.00 0.00 33.01 31.61 2rpr s GLN 59 CO 0.27 -0.50 0.00 0.41 0.50 0.00 0.00 175.29 175.97 2rpr n GLY 60 N 5.42 1.52 0.00 2.59 0.00 -1.26 -2.32 105.19 111.14 2rpr n GLY 60 Ca -0.05 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.80 1.61 -0.00 -1.26 -5.02 115.22 106.75 2rpr n HIS 61 Ca 0.00 -0.23 -0.15 0.00 0.46 0.00 0.00 57.72 57.80 2rpr n HIS 61 Cb 0.00 -0.02 -0.00 0.00 -0.12 0.00 0.00 29.99 29.84 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 -0.23 1.07 -3.80 1.57 3.00 -0.98 -2.93 116.66 114.35 2rpr n ARG 62 Ca 0.00 -1.94 -0.10 0.00 -0.01 0.00 0.00 57.85 55.80 2rpr n ARG 62 Cb 0.27 0.25 -0.06 0.00 0.00 0.00 0.00 32.46 32.92 2rpr n ARG 62 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 2rpr s ILE 63 N -1.58 0.07 0.00 0.55 2.07 -1.26 -2.88 121.20 118.17 2rpr s ILE 63 Ca 0.15 -1.00 -0.05 0.00 -1.41 0.00 0.00 60.65 58.34 2rpr s ILE 63 Cb -0.01 -1.51 -0.00 0.00 0.13 0.00 0.00 42.46 41.07 2rpr s ILE 63 CO 0.10 -0.33 0.10 -0.32 -1.91 0.00 0.00 174.94 172.57 2rpr s MET 64 N -3.88 0.41 0.02 3.50 -2.45 0.13 -4.95 119.30 112.08 2rpr s MET 64 Ca 0.09 -0.38 0.05 0.00 -1.25 0.00 0.00 55.69 54.20 2rpr s MET 64 Cb 0.02 0.17 -0.03 0.00 1.25 0.00 0.00 34.83 36.24 2rpr s MET 64 CO -0.06 -0.09 -0.13 0.08 1.05 0.00 0.00 175.02 175.87 2rpr s VAL 65 N -1.24 3.20 -0.10 10.11 1.01 -1.26 0.25 120.40 132.36 2rpr s VAL 65 Ca -0.13 -0.97 -0.12 0.00 0.00 0.00 0.00 61.98 60.76 2rpr s VAL 65 Cb -0.07 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 2rpr s VAL 65 CO 0.01 0.38 -0.23 0.23 0.00 0.00 0.00 175.10 175.49 2rpr n MET 66 N 1.60 0.34 -3.94 2.72 2.81 -0.62 -4.91 117.12 115.12 2rpr n MET 66 Ca -0.16 0.14 -0.24 0.00 -1.81 0.00 0.00 57.70 55.63 2rpr n MET 66 Cb 0.52 -1.08 -0.06 0.00 -0.71 0.00 0.00 33.22 31.90 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 -2.42 2.33 0.65 0.03 0.52 -1.25 -4.98 118.95 113.82 2rpr s ARG 67 Ca -0.19 -1.77 -0.04 0.00 -0.52 0.00 0.00 55.73 53.22 2rpr s ARG 67 Cb 0.03 -2.11 0.14 0.00 0.52 0.00 0.00 34.95 33.52 2rpr s ARG 67 CO 0.28 -0.18 0.89 -1.13 0.02 0.00 0.00 175.30 175.18 2rpr n SER 68 N -1.38 0.81 -4.41 0.23 3.41 -1.26 -4.50 113.62 106.52 2rpr n SER 68 Ca 0.00 -1.77 -0.32 0.00 -0.26 0.00 0.00 58.87 56.51 2rpr n SER 68 Cb 0.64 -0.61 -0.14 0.00 -0.26 0.00 0.00 64.21 63.83 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 -2.73 2.60 -2.09 7.33 0.09 -1.26 -4.11 115.29 115.12 2rpr s HIS 69 Ca 0.56 -0.30 0.15 0.00 -0.00 0.00 0.00 55.06 55.47 2rpr s HIS 69 Cb -0.03 -1.61 0.46 0.00 -0.00 0.00 0.00 32.58 31.41 2rpr s HIS 69 CO 0.38 0.07 1.37 0.00 -0.00 0.00 0.00 174.74 176.56 2rpr s HIS 71 N -1.54 0.87 0.25 0.00 -3.43 -1.26 -5.11 115.29 105.07 2rpr s HIS 71 Ca 0.29 -0.81 -0.08 0.00 -0.80 0.00 0.00 55.06 53.66 2rpr s HIS 71 Cb 0.15 -0.50 -0.06 0.00 -1.43 0.00 0.00 32.58 30.74 2rpr s HIS 71 CO 0.21 -0.12 0.54 1.14 -2.00 0.00 0.00 174.74 174.51 2rpr s GLN 72 N -3.33 3.72 0.55 -0.38 -2.07 -1.26 -5.07 119.66 111.82 2rpr s GLN 72 Ca 0.07 0.15 -0.19 0.00 -1.82 0.00 0.00 55.36 53.57 2rpr s GLN 72 Cb 0.02 -2.66 -0.06 0.00 -1.09 0.00 0.00 33.01 29.22 2rpr s GLN 72 CO -0.03 0.28 1.13 -1.25 -1.32 0.00 0.00 175.29 174.10 2rpr s PRO 73 N -3.09 3.34 -0.61 9.60 0.04 -1.26 -5.02 135.00 137.99 2rpr s PRO 73 Ca 0.46 1.60 0.04 0.00 0.04 0.00 0.00 61.00 63.14 2rpr s PRO 73 Cb -0.11 -2.00 0.16 0.00 0.04 0.00 0.00 34.50 32.59 2rpr s PRO 73 CO 0.25 -0.86 0.43 -0.51 0.04 0.00 0.00 177.00 176.35 2rpr s ASP 74 N -1.81 3.89 0.56 6.66 1.01 -1.26 -4.94 116.67 120.79 2rpr s ASP 74 Ca 0.72 -3.54 0.33 0.00 0.71 0.00 0.00 52.55 50.78 2rpr s ASP 74 Cb -0.24 -1.30 1.46 0.00 1.01 0.00 0.00 42.92 43.85 2rpr s ASP 74 CO 0.27 -0.13 1.77 -0.07 0.21 0.00 0.00 175.17 177.23 2rpr h LEU 75 N 5.61 0.00 -0.28 1.23 3.38 -1.96 0.33 115.31 123.62 2rpr h LEU 75 Ca 0.15 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 2rpr h LEU 75 Cb 0.81 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2rpr h LEU 75 CO 0.62 0.00 -0.08 0.00 0.09 0.00 0.00 178.44 179.06 2rpr h ALA 76 N 1.31 0.39 0.00 1.53 0.00 -1.98 0.36 119.26 120.88 2rpr h ALA 76 Ca 0.46 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 2rpr h ALA 76 Cb 2.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.73 2rpr h ALA 76 CO -0.00 0.22 -0.74 0.78 0.00 0.00 0.00 179.25 179.51 2rpr h GLY 77 N 0.31 0.00 1.10 0.00 0.00 -0.83 -1.95 103.07 101.70 2rpr h GLY 77 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.15 2rpr h GLY 77 CO 0.03 0.00 -1.01 -2.00 0.00 0.00 0.00 176.54 173.56 2rpr h LEU 78 N 0.00 0.81 -0.60 3.11 5.85 -1.09 -2.87 115.31 120.53 2rpr h LEU 78 Ca -0.01 -0.78 -0.06 0.00 0.84 0.00 0.00 57.88 57.88 2rpr h LEU 78 Cb 1.37 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 2rpr h LEU 78 CO 0.10 1.50 -0.27 -0.33 -0.34 0.00 0.00 178.44 179.10 2rpr h GLU 79 N 0.22 0.00 0.00 1.25 5.08 -0.97 -2.97 114.58 117.18 2rpr h GLU 79 Ca -0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2rpr h GLU 79 Cb 1.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.94 2rpr h GLU 79 CO 0.20 0.27 -0.08 0.00 -1.00 0.00 0.00 179.01 178.39 2rpr h ALA 80 N 1.73 0.95 0.22 3.43 0.00 -1.38 -3.29 119.26 120.93 2rpr h ALA 80 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.61 2rpr h ALA 80 Cb 0.98 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.80 2rpr h ALA 80 CO 0.03 0.00 -1.30 -0.07 0.00 0.00 0.00 179.25 177.91 2rpr h LEU 81 N 0.00 0.71 -0.25 0.00 3.38 -1.34 -3.31 115.31 114.50 2rpr h LEU 81 Ca 0.00 -0.93 0.04 0.00 0.09 0.00 0.00 57.88 57.08 2rpr h LEU 81 Cb 0.92 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 2rpr h LEU 81 CO 0.00 1.62 0.01 0.03 0.09 0.00 0.00 178.44 180.20 2rpr h ARG 82 N -0.02 0.09 -0.93 1.13 3.08 -1.62 -1.41 114.38 114.69 2rpr h ARG 82 Ca -0.23 -0.01 0.21 0.00 0.07 0.00 0.00 59.98 60.02 2rpr h ARG 82 Cb 2.00 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 31.96 2rpr h ARG 82 CO 0.23 0.06 0.61 -0.56 -1.07 0.00 0.00 179.97 179.24 2rpr h GLN 83 N 0.10 0.42 0.00 0.04 -0.00 -1.69 0.88 115.11 114.86 2rpr h GLN 83 Ca 0.12 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.73 2rpr h GLN 83 Cb 0.14 -0.09 -0.00 0.00 -0.00 0.00 0.00 27.48 27.52 2rpr h GLN 83 CO -0.18 0.28 -0.05 0.00 -0.00 0.00 0.00 178.83 178.88 2rpr h ARG 84 N 0.43 0.00 0.00 0.06 3.08 -1.36 -2.96 114.38 113.63 2rpr h ARG 84 Ca 0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.54 2rpr h ARG 84 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 2rpr h ARG 84 CO -0.20 0.05 -1.36 -1.91 -1.07 0.00 0.00 179.97 175.48 2rpr n GLU 85 N -3.14 0.67 -4.33 0.04 4.07 0.24 -4.94 120.64 113.25 2rpr n GLU 85 Ca 0.01 -0.08 -0.35 0.00 -0.06 0.00 0.00 57.16 56.68 2rpr n GLU 85 Cb 0.38 -1.43 -0.09 0.00 -0.06 0.00 0.00 31.44 30.24 2rpr n GLU 85 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2rpr s ARG 86 N -3.05 3.10 0.00 5.31 1.81 0.23 -5.01 118.95 121.34 2rpr s ARG 86 Ca 0.01 -0.39 0.18 0.00 -1.72 0.00 0.00 55.73 53.80 2rpr s ARG 86 Cb 0.13 -2.85 0.14 0.00 -0.45 0.00 0.00 34.95 31.93 2rpr s ARG 86 CO 0.79 0.66 1.06 1.47 -0.68 0.00 0.00 175.30 178.60