#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rpc s SER 2 N 0.00 -0.36 -0.02 1.61 0.15 -1.26 -5.16 113.70 108.66 2rpc s SER 2 Ca 0.00 0.68 0.01 0.00 0.70 0.00 0.00 55.95 57.34 2rpc s SER 2 Cb 0.00 0.63 0.02 0.00 -1.71 0.00 0.00 66.02 64.96 2rpc s SER 2 CO 0.00 -0.14 -0.02 -0.55 1.20 0.00 0.00 173.24 173.73 2rpc s SER 3 N 0.71 0.44 -0.48 5.45 0.15 -1.26 -5.07 113.70 113.64 2rpc s SER 3 Ca -0.04 -0.05 0.06 0.00 0.70 0.00 0.00 55.95 56.62 2rpc s SER 3 Cb -0.06 -0.17 0.26 0.00 -1.71 0.00 0.00 66.02 64.35 2rpc s SER 3 CO -0.05 -0.04 0.94 0.61 1.20 0.00 0.00 173.24 175.90 2rpc n GLY 4 N 3.70 0.29 2.70 9.45 0.00 -1.26 -5.11 105.19 114.97 2rpc n GLY 4 Ca -0.22 0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 2rpc n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rpc s SER 5 N -1.57 1.56 0.29 1.61 1.04 -1.26 -5.14 113.70 110.22 2rpc s SER 5 Ca 0.29 -0.19 -0.05 0.00 0.48 0.00 0.00 55.95 56.48 2rpc s SER 5 Cb 0.25 0.03 0.02 0.00 0.10 0.00 0.00 66.02 66.42 2rpc s SER 5 CO -0.19 -0.30 0.47 -1.54 0.98 0.00 0.00 173.24 172.66 2rpc n SER 6 N 5.30 -1.34 -4.00 7.02 3.41 -1.26 -5.19 113.62 117.57 2rpc n SER 6 Ca -0.05 -2.40 -0.09 0.00 -0.26 0.00 0.00 58.87 56.06 2rpc n SER 6 Cb 0.49 2.36 -0.11 0.00 -0.26 0.00 0.00 64.21 66.70 2rpc n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2rpc s GLY 7 N -2.67 0.29 0.10 5.00 0.00 -1.26 -5.15 107.32 103.63 2rpc s GLY 7 Ca 0.19 -0.65 -0.13 0.00 0.00 0.00 0.00 44.72 44.13 2rpc s GLY 7 CO 0.14 -0.72 0.47 1.20 0.00 0.00 0.00 173.10 174.19 2rpc s GLN 8 N -1.64 3.89 0.00 2.90 1.11 -1.26 -5.09 119.66 119.57 2rpc s GLN 8 Ca -0.14 0.36 0.00 0.00 0.01 0.00 0.00 55.36 55.59 2rpc s GLN 8 Cb -0.09 -3.00 0.00 0.00 -1.01 0.00 0.00 33.01 28.91 2rpc s GLN 8 CO -0.01 0.54 0.00 -0.35 0.01 0.00 0.00 175.29 175.48 2rpc n PRO 9 N 0.99 0.18 -3.12 2.91 -0.04 -1.26 -4.97 135.00 129.69 2rpc n PRO 9 Ca -0.08 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.97 2rpc n PRO 9 Cb 0.52 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.91 2rpc n PRO 9 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2rpc s ILE 10 N -0.40 4.90 -0.22 0.52 1.01 -1.26 -5.05 121.20 120.70 2rpc s ILE 10 Ca 0.00 0.59 -0.10 0.00 0.00 0.00 0.00 60.65 61.14 2rpc s ILE 10 Cb 0.00 -4.06 -0.05 0.00 0.01 0.00 0.00 42.46 38.36 2rpc s ILE 10 CO 0.00 -0.29 0.14 -0.54 0.00 0.00 0.00 174.94 174.25 2rpc s LYS 11 N 2.68 4.11 0.15 2.79 1.02 -1.26 -5.09 119.74 124.14 2rpc s LYS 11 Ca 0.24 -0.26 -0.14 0.00 0.02 0.00 0.00 55.97 55.83 2rpc s LYS 11 Cb -0.15 -3.47 -0.07 0.00 -0.52 0.00 0.00 37.83 33.62 2rpc s LYS 11 CO 0.14 0.17 0.55 -1.14 -0.92 0.00 0.00 175.35 174.16 2rpc s GLN 12 N 0.74 3.99 -0.16 1.68 0.74 -1.25 -5.03 119.66 120.37 2rpc s GLN 12 Ca 0.07 0.50 -0.12 0.00 0.05 0.00 0.00 55.36 55.87 2rpc s GLN 12 Cb -0.12 -2.94 -0.05 0.00 1.10 0.00 0.00 33.01 31.00 2rpc s GLN 12 CO 0.02 0.48 0.24 -2.00 -0.55 0.00 0.00 175.29 173.47 2rpc s GLU 13 N -1.94 4.14 0.31 1.67 2.12 -1.26 -4.18 118.70 119.55 2rpc s GLU 13 Ca 0.38 -0.00 0.07 0.00 0.36 0.00 0.00 54.97 55.77 2rpc s GLU 13 Cb -0.15 -3.39 -0.03 0.00 0.26 0.00 0.00 34.13 30.82 2rpc s GLU 13 CO 0.19 0.33 0.32 -0.51 -0.54 0.00 0.00 175.26 175.05 2rpc s LEU 14 N 0.20 3.80 -0.00 2.70 1.43 -1.16 -4.94 118.68 120.71 2rpc s LEU 14 Ca 0.14 -0.32 0.05 0.00 -1.03 0.00 0.00 54.13 52.98 2rpc s LEU 14 Cb -0.12 -2.43 -0.01 0.00 0.03 0.00 0.00 46.19 43.65 2rpc s LEU 14 CO 0.03 -0.27 -0.16 -0.44 0.23 0.00 0.00 176.35 175.74 2rpc s SER 15 N -4.00 1.89 -0.41 2.29 0.01 -1.26 -3.91 113.70 108.31 2rpc s SER 15 Ca 0.39 -0.32 0.02 0.00 1.31 0.00 0.00 55.95 57.35 2rpc s SER 15 Cb -0.07 -0.20 0.12 0.00 0.21 0.00 0.00 66.02 66.08 2rpc s SER 15 CO 0.27 0.18 0.20 0.00 0.41 0.00 0.00 173.24 174.30 2rpc s LYS 17 N 0.58 3.18 -0.22 0.00 -0.14 -1.26 -4.21 119.74 117.67 2rpc s LYS 17 Ca 0.15 -0.79 -0.06 0.00 -1.36 0.00 0.00 55.97 53.92 2rpc s LYS 17 Cb -0.23 -4.31 -0.03 0.00 -1.68 0.00 0.00 37.83 31.59 2rpc s LYS 17 CO -0.05 -1.90 0.03 -0.46 -0.76 0.00 0.00 175.35 172.21 2rpc s TRP 18 N 4.35 3.07 -0.35 3.18 -0.11 -1.26 -2.83 118.94 124.99 2rpc s TRP 18 Ca 0.26 -0.44 0.03 0.00 1.22 0.00 0.00 56.10 57.17 2rpc s TRP 18 Cb -0.14 -2.16 0.10 0.00 -1.50 0.00 0.00 33.47 29.78 2rpc s TRP 18 CO 0.09 -0.29 0.08 0.42 -4.62 0.00 0.00 176.95 172.63 2rpc s ILE 19 N 1.28 1.99 -0.56 5.86 1.01 -0.55 -1.11 121.20 129.11 2rpc s ILE 19 Ca 0.04 -2.21 -0.28 0.00 0.00 0.00 0.00 60.65 58.20 2rpc s ILE 19 Cb -0.15 -2.47 0.00 0.00 0.01 0.00 0.00 42.46 39.86 2rpc s ILE 19 CO 0.02 -0.63 1.53 -0.62 0.00 0.00 0.00 174.94 175.24 2rpc s ASP 20 N 0.97 5.93 0.35 3.58 2.15 -1.26 -4.42 116.67 123.96 2rpc s ASP 20 Ca 0.11 0.33 0.25 0.00 0.43 0.00 0.00 52.55 53.68 2rpc s ASP 20 Cb -0.19 -2.54 1.18 0.00 -0.30 0.00 0.00 42.92 41.07 2rpc s ASP 20 CO -0.11 -1.86 1.24 -1.84 -0.17 0.00 0.00 175.17 172.43 2rpc n GLU 21 N 8.81 -0.03 -1.77 4.34 0.28 -1.26 0.21 120.64 131.22 2rpc n GLU 21 Ca 0.14 1.00 -0.38 0.00 -0.16 0.00 0.00 57.16 57.76 2rpc n GLU 21 Cb 0.50 -1.96 0.05 0.00 1.43 0.00 0.00 31.44 31.46 2rpc n GLU 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2rpc n ALA 22 N -2.54 6.38 -0.71 -1.84 0.00 -1.26 -5.01 120.51 115.53 2rpc n ALA 22 Ca 0.32 -3.93 -0.06 0.00 0.00 0.00 0.00 53.44 49.77 2rpc n ALA 22 Cb 1.24 -1.84 0.10 0.00 0.00 0.00 0.00 19.45 18.95 2rpc n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rpc n GLN 23 N -0.66 -1.97 0.00 0.00 0.00 0.56 -4.97 117.38 110.34 2rpc n GLN 23 Ca 0.56 -0.50 0.00 0.00 0.00 0.00 0.00 57.00 57.06 2rpc n GLN 23 Cb 0.39 -0.76 0.00 0.00 0.00 0.00 0.00 30.24 29.87 2rpc n GLN 23 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 2rpc n LEU 24 N 0.00 0.94 -4.52 2.61 -0.00 -1.26 -5.06 117.00 109.70 2rpc n LEU 24 Ca 0.05 -0.94 -0.25 0.00 -0.00 0.00 0.00 56.01 54.87 2rpc n LEU 24 Cb 0.20 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.53 2rpc n LEU 24 CO 0.13 0.24 -0.24 -0.94 -0.00 0.00 0.00 177.39 176.58 2rpc s SER 25 N -0.14 2.84 -0.14 1.96 1.04 -1.26 -5.16 113.70 112.83 2rpc s SER 25 Ca 0.00 -1.52 -0.09 0.00 0.48 0.00 0.00 55.95 54.81 2rpc s SER 25 Cb 0.00 0.19 0.05 0.00 0.10 0.00 0.00 66.02 66.36 2rpc s SER 25 CO 0.00 -0.75 0.36 -0.13 0.98 0.00 0.00 173.24 173.70 2rpc s ARG 26 N -3.81 0.36 1.19 4.02 1.81 -1.26 -4.20 118.95 117.05 2rpc s ARG 26 Ca 0.28 0.65 -0.20 0.00 -1.72 0.00 0.00 55.73 54.73 2rpc s ARG 26 Cb 0.06 0.02 0.29 0.00 -0.45 0.00 0.00 34.95 34.87 2rpc s ARG 26 CO 0.14 -0.13 1.05 -0.35 -0.68 0.00 0.00 175.30 175.33 2rpc n PRO 27 N 3.86 -3.08 -1.69 3.54 -0.04 -1.26 -5.06 135.00 131.26 2rpc n PRO 27 Ca -0.21 -1.68 -0.44 0.00 -0.04 0.00 0.00 63.50 61.13 2rpc n PRO 27 Cb 0.55 -1.58 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 2rpc n PRO 27 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2rpc n LYS 28 N -4.73 2.36 -4.63 0.54 5.02 -1.26 -4.99 118.16 110.46 2rpc n LYS 28 Ca 0.15 0.85 -0.31 0.00 -2.02 0.00 0.00 58.31 56.97 2rpc n LYS 28 Cb 0.57 -2.61 -0.12 0.00 -0.02 0.00 0.00 35.03 32.85 2rpc n LYS 28 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2rpc s LYS 29 N 0.45 2.28 0.37 1.97 1.02 -1.26 -5.13 119.74 119.44 2rpc s LYS 29 Ca 0.73 -0.86 0.02 0.00 0.02 0.00 0.00 55.97 55.88 2rpc s LYS 29 Cb -0.60 -2.31 -0.02 0.00 -0.52 0.00 0.00 37.83 34.38 2rpc s LYS 29 CO 0.41 0.57 0.56 -1.12 -0.92 0.00 0.00 175.35 174.85 2rpc s SER 30 N -1.33 6.08 -0.01 2.83 0.01 -1.26 -4.61 113.70 115.41 2rpc s SER 30 Ca 0.15 0.24 -0.30 0.00 1.31 0.00 0.00 55.95 57.35 2rpc s SER 30 Cb -0.11 -1.70 -0.04 0.00 0.21 0.00 0.00 66.02 64.38 2rpc s SER 30 CO 0.05 -0.44 1.13 0.00 0.41 0.00 0.00 173.24 174.39 2rpc s ASP 32 N 1.18 6.21 0.19 0.00 1.47 -1.26 -4.13 116.67 120.32 2rpc s ASP 32 Ca 0.55 -2.51 0.04 0.00 1.18 0.00 0.00 52.55 51.80 2rpc s ASP 32 Cb -0.25 -2.10 -0.05 0.00 -0.34 0.00 0.00 42.92 40.18 2rpc s ASP 32 CO 0.26 -0.58 -0.04 -0.60 0.68 0.00 0.00 175.17 174.89 2rpc s ARG 33 N 0.45 1.20 0.09 2.11 6.06 -1.26 -5.07 118.95 122.53 2rpc s ARG 33 Ca 0.14 -1.57 -0.12 0.00 -2.50 0.00 0.00 55.73 51.68 2rpc s ARG 33 Cb -0.17 -0.56 0.01 0.00 0.06 0.00 0.00 34.95 34.29 2rpc s ARG 33 CO -0.05 -0.04 0.27 0.95 -2.50 0.00 0.00 175.30 173.93 2rpc s THR 34 N -3.42 0.11 0.26 4.11 -4.23 -1.26 -3.99 115.64 107.21 2rpc s THR 34 Ca 0.24 -0.91 -0.11 0.00 -1.18 0.00 0.00 61.69 59.73 2rpc s THR 34 Cb 0.05 -1.19 -0.00 0.00 1.34 0.00 0.00 72.50 72.69 2rpc s THR 34 CO 0.05 -0.50 0.47 -0.36 -0.54 0.00 0.00 174.62 173.74 2rpc s PHE 35 N -3.51 0.47 -0.47 3.99 0.08 -1.25 -4.95 117.98 112.33 2rpc s PHE 35 Ca 0.02 -0.82 0.13 0.00 0.12 0.00 0.00 56.93 56.39 2rpc s PHE 35 Cb 0.03 0.14 -0.16 0.00 -0.57 0.00 0.00 43.02 42.45 2rpc s PHE 35 CO -0.09 -1.00 0.50 0.43 -0.10 0.00 0.00 175.22 174.95 2rpc n SER 36 N -0.50 0.95 -4.23 1.36 7.64 -1.26 -3.00 113.62 114.59 2rpc n SER 36 Ca -0.01 -0.60 -0.13 0.00 1.01 0.00 0.00 58.87 59.13 2rpc n SER 36 Cb 0.62 1.17 -0.10 0.00 -1.01 0.00 0.00 64.21 64.89 2rpc n SER 36 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2rpc s THR 37 N -2.45 0.18 -0.02 0.44 -4.23 -1.26 -3.97 115.64 104.33 2rpc s THR 37 Ca 0.02 -1.99 -0.22 0.00 -1.18 0.00 0.00 61.69 58.32 2rpc s THR 37 Cb 0.10 -2.50 -0.15 0.00 1.34 0.00 0.00 72.50 71.29 2rpc s THR 37 CO 0.56 -0.04 0.98 -0.03 -0.54 0.00 0.00 174.62 175.55 2rpc h MET 38 N 2.57 -0.39 -0.67 3.99 4.05 -1.95 -3.21 114.93 119.32 2rpc h MET 38 Ca -0.37 0.03 0.14 0.00 -0.28 0.00 0.00 59.70 59.22 2rpc h MET 38 Cb 1.25 0.09 -0.11 0.00 -0.80 0.00 0.00 31.60 32.02 2rpc h MET 38 CO 0.56 -0.06 0.03 0.45 0.23 0.00 0.00 176.91 178.11 2rpc h HIS 39 N -0.90 0.00 -0.94 1.39 3.86 -1.99 0.35 115.15 116.92 2rpc h HIS 39 Ca -0.04 0.05 0.24 0.00 -1.16 0.00 0.00 60.37 59.46 2rpc h HIS 39 Cb 0.52 0.10 -0.06 0.00 1.06 0.00 0.00 27.41 29.03 2rpc h HIS 39 CO 0.04 -0.17 0.64 0.93 0.86 0.00 0.00 177.93 180.23 2rpc h GLU 40 N 0.14 0.21 0.03 2.45 4.39 -1.99 -0.38 114.58 119.43 2rpc h GLU 40 Ca 0.36 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.97 2rpc h GLU 40 Cb 0.60 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.20 2rpc h GLU 40 CO -0.56 0.14 -0.31 1.25 -1.16 0.00 0.00 179.01 178.37 2rpc h LEU 41 N 0.22 0.22 0.23 1.33 5.85 -0.34 -3.27 115.31 119.55 2rpc h LEU 41 Ca 0.48 -0.88 0.01 0.00 0.84 0.00 0.00 57.88 58.33 2rpc h LEU 41 Cb 1.50 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.43 2rpc h LEU 41 CO -0.12 1.08 -0.37 0.58 -0.34 0.00 0.00 178.44 179.27 2rpc h VAL 42 N -0.61 0.24 -1.20 1.05 2.07 -0.19 0.13 116.25 117.74 2rpc h VAL 42 Ca -0.05 0.00 0.34 0.00 0.82 0.00 0.00 66.70 67.82 2rpc h VAL 42 Cb 1.15 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 31.10 2rpc h VAL 42 CO 0.06 0.00 0.84 0.74 0.02 0.00 0.00 177.57 179.23 2rpc h THR 43 N -0.67 0.40 0.00 2.57 2.02 -1.28 0.50 112.91 116.45 2rpc h THR 43 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.15 2rpc h THR 43 Cb 0.65 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 2rpc h THR 43 CO -0.15 0.02 -0.02 -0.74 0.37 0.00 0.00 175.52 175.00 2rpc h HIS 44 N 0.09 0.00 -0.12 3.16 -0.00 -1.27 0.72 115.15 117.73 2rpc h HIS 44 Ca 0.61 0.00 0.04 0.00 -0.00 0.00 0.00 60.37 61.01 2rpc h HIS 44 Cb 2.19 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 29.60 2rpc h HIS 44 CO -0.00 0.00 0.33 0.28 -0.00 0.00 0.00 177.93 178.54 2rpc h VAL 45 N -0.71 0.14 0.00 5.26 2.07 -0.21 2.26 116.25 125.05 2rpc h VAL 45 Ca 0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 2rpc h VAL 45 Cb 0.02 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 2rpc h VAL 45 CO 0.00 0.00 -1.00 0.41 0.02 0.00 0.00 177.57 177.00 2rpc n THR 46 N -3.19 1.47 -0.10 2.57 -1.04 0.17 -1.82 114.28 112.35 2rpc n THR 46 Ca 0.01 0.08 -0.20 0.00 -2.04 0.00 0.00 64.05 61.90 2rpc n THR 46 Cb 0.42 -2.25 -0.12 0.00 -1.82 0.00 0.00 70.33 66.56 2rpc n THR 46 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 2rpc h MET 47 N -1.00 0.00 0.00 -2.82 2.86 -0.49 2.06 114.93 115.54 2rpc h MET 47 Ca -0.16 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 2rpc h MET 47 Cb 0.91 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.57 2rpc h MET 47 CO -0.09 1.00 0.00 0.39 1.06 0.00 0.00 176.91 179.27 2rpc n GLU 48 N -4.47 0.53 0.00 1.72 -0.58 0.73 -2.31 120.64 116.26 2rpc n GLU 48 Ca -0.27 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.47 2rpc n GLU 48 Cb 0.64 -1.33 0.00 0.00 -0.57 0.00 0.00 31.44 30.17 2rpc n GLU 48 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2rpc n HIS 49 N -0.83 -0.19 0.87 -0.32 8.25 0.86 -4.81 115.22 119.03 2rpc n HIS 49 Ca 0.08 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.62 2rpc n HIS 49 Cb 0.04 0.32 0.43 0.00 1.12 0.00 0.00 29.99 31.90 2rpc n HIS 49 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2rpc n VAL 50 N -1.95 0.26 -4.71 1.59 0.31 0.45 -4.95 118.33 109.32 2rpc n VAL 50 Ca 0.00 0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 2rpc n VAL 50 Cb 0.00 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 2rpc n VAL 50 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2rpc n GLY 51 N -0.00 0.33 0.00 2.92 0.00 0.67 -4.83 105.19 104.27 2rpc n GLY 51 Ca 0.10 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2rpc n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rpc n GLY 52 N 0.00 3.79 0.00 -0.02 0.00 -1.26 -3.46 105.19 104.24 2rpc n GLY 52 Ca 0.00 -2.10 0.08 0.00 0.00 0.00 0.00 46.02 43.99 2rpc n GLY 52 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2rpc n PRO 53 N -0.28 0.37 0.10 1.61 -0.04 -1.26 -2.26 135.00 133.24 2rpc n PRO 53 Ca 0.00 0.06 0.05 0.00 -0.04 0.00 0.00 63.50 63.57 2rpc n PRO 53 Cb 0.00 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 31.96 2rpc n PRO 53 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2rpc h GLU 54 N 0.00 0.00 -6.31 0.54 4.57 -1.96 -3.44 114.58 107.97 2rpc h GLU 54 Ca 0.00 0.00 -0.57 0.00 -1.18 0.00 0.00 59.36 57.61 2rpc h GLU 54 Cb 0.06 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 2rpc h GLU 54 CO 0.00 0.26 1.23 -0.65 -1.18 0.00 0.00 179.01 178.67 2rpc s GLN 55 N -3.06 3.36 0.00 1.92 -1.52 -0.96 -4.92 119.66 114.48 2rpc s GLN 55 Ca 0.01 1.28 0.00 0.00 -1.95 0.00 0.00 55.36 54.70 2rpc s GLN 55 Cb 0.08 -4.17 0.00 0.00 -0.22 0.00 0.00 33.01 28.70 2rpc s GLN 55 CO 0.77 -1.83 0.84 -1.71 -0.25 0.00 0.00 175.29 173.11 2rpc n ASN 56 N 10.07 0.00 -4.60 5.90 5.15 -1.26 -4.27 115.26 126.25 2rpc n ASN 56 Ca 0.21 0.84 -0.43 0.00 -0.60 0.00 0.00 54.58 54.61 2rpc n ASN 56 Cb 0.47 -0.34 -0.03 0.00 -0.53 0.00 0.00 39.78 39.35 2rpc n ASN 56 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2rpc s ASN 57 N -2.47 6.64 -0.41 1.20 2.47 -1.26 -5.01 114.94 116.10 2rpc s ASN 57 Ca 0.00 0.47 -0.15 0.00 0.42 0.00 0.00 52.86 53.60 2rpc s ASN 57 Cb 0.00 -2.48 0.02 0.00 -1.45 0.00 0.00 41.25 37.34 2rpc s ASN 57 CO 0.00 -0.99 0.30 -1.38 -3.72 0.00 0.00 177.10 171.31 2rpc s HIS 58 N 3.76 3.24 -0.02 0.43 0.00 -1.26 -5.05 115.29 116.39 2rpc s HIS 58 Ca 0.40 -0.65 -0.01 0.00 -3.00 0.00 0.00 55.06 51.80 2rpc s HIS 58 Cb -0.10 -2.61 0.01 0.00 -4.00 0.00 0.00 32.58 25.87 2rpc s HIS 58 CO 0.23 -0.61 0.04 0.08 -1.00 0.00 0.00 174.74 173.48 2rpc s VAL 59 N 1.66 -0.01 -0.30 -5.38 1.01 -1.26 -3.82 120.40 112.30 2rpc s VAL 59 Ca 0.05 0.03 -0.06 0.00 0.00 0.00 0.00 61.98 62.00 2rpc s VAL 59 Cb -0.19 -0.07 0.02 0.00 0.00 0.00 0.00 36.38 36.14 2rpc s VAL 59 CO 0.09 0.01 0.06 0.00 0.00 0.00 0.00 175.10 175.27 2rpc s TYR 61 N 1.43 3.33 0.15 0.00 1.51 -1.26 -4.38 117.35 118.12 2rpc s TYR 61 Ca 0.00 -1.41 -0.14 0.00 -1.01 0.00 0.00 57.07 54.52 2rpc s TYR 61 Cb -0.18 -3.86 -0.07 0.00 -0.11 0.00 0.00 41.96 37.74 2rpc s TYR 61 CO 0.01 -1.08 0.54 -0.46 -1.11 0.00 0.00 175.55 173.45 2rpc s TRP 62 N 1.48 3.59 0.65 2.71 -0.11 -1.26 -1.49 118.94 124.51 2rpc s TRP 62 Ca 0.09 1.03 0.13 0.00 1.22 0.00 0.00 56.10 58.58 2rpc s TRP 62 Cb -0.23 -2.35 0.68 0.00 -1.50 0.00 0.00 33.47 30.08 2rpc s TRP 62 CO 0.00 0.42 1.37 1.49 -4.62 0.00 0.00 176.95 175.61 2rpc h GLU 63 N 3.48 0.00 -0.01 5.86 4.81 -1.79 -1.84 114.58 125.09 2rpc h GLU 63 Ca -0.48 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.60 2rpc h GLU 63 Cb 1.19 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.42 2rpc h GLU 63 CO 0.66 0.00 -0.33 0.39 -0.73 0.00 0.00 179.01 179.00 2rpc n GLU 64 N -2.75 0.54 -1.56 1.92 -0.58 -1.26 -4.99 120.64 111.96 2rpc n GLU 64 Ca 0.02 -1.17 -0.50 0.00 -0.42 0.00 0.00 57.16 55.09 2rpc n GLU 64 Cb 0.83 0.41 -0.04 0.00 -0.57 0.00 0.00 31.44 32.06 2rpc n GLU 64 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2rpc n PRO 66 N 1.69 0.33 -0.08 0.00 -0.04 -1.26 -2.32 135.00 133.31 2rpc n PRO 66 Ca 0.16 0.08 -0.06 0.00 -0.04 0.00 0.00 63.50 63.64 2rpc n PRO 66 Cb 0.23 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.04 2rpc n PRO 66 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2rpc n ARG 67 N -1.16 0.85 -1.69 0.54 1.74 -1.26 -5.00 116.66 110.68 2rpc n ARG 67 Ca 0.09 -0.04 -0.01 0.00 -0.77 0.00 0.00 57.85 57.12 2rpc n ARG 67 Cb 0.09 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 30.04 2rpc n ARG 67 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2rpc n GLU 68 N -2.62 -0.07 -2.14 5.56 1.02 -0.98 -4.04 120.64 117.36 2rpc n GLU 68 Ca -0.27 0.21 -0.04 0.00 -0.02 0.00 0.00 57.16 57.04 2rpc n GLU 68 Cb 1.03 -3.75 0.02 0.00 -0.02 0.00 0.00 31.44 28.71 2rpc n GLU 68 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rpc n GLY 69 N -1.63 0.29 3.24 0.62 0.00 -1.26 -5.03 105.19 101.42 2rpc n GLY 69 Ca -0.01 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 2rpc n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rpc s LYS 70 N -3.76 2.49 0.94 1.61 -0.14 -1.26 -4.98 119.74 114.64 2rpc s LYS 70 Ca 0.08 -1.51 -0.16 0.00 -1.36 0.00 0.00 55.97 53.03 2rpc s LYS 70 Cb -0.01 -3.70 -0.09 0.00 -1.68 0.00 0.00 37.83 32.34 2rpc s LYS 70 CO 0.21 -0.95 -0.37 0.45 -0.76 0.00 0.00 175.35 173.93 2rpc n SER 71 N 4.84 -4.57 -3.52 2.83 2.88 -1.26 -4.92 113.62 109.90 2rpc n SER 71 Ca -0.09 0.27 -0.12 0.00 -1.33 0.00 0.00 58.87 57.60 2rpc n SER 71 Cb 0.43 -0.91 0.02 0.00 -0.75 0.00 0.00 64.21 62.99 2rpc n SER 71 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2rpc n PHE 72 N -2.73 -1.70 1.18 0.66 3.72 -1.25 -5.03 117.46 112.30 2rpc n PHE 72 Ca 0.02 -1.18 0.13 0.00 -0.05 0.00 0.00 57.45 56.36 2rpc n PHE 72 Cb 0.54 -0.26 0.24 0.00 -0.94 0.00 0.00 39.48 39.06 2rpc n PHE 72 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2rpc n LYS 73 N -1.39 1.75 -2.65 -1.08 4.81 -1.26 -4.98 118.16 113.36 2rpc n LYS 73 Ca 0.03 -1.30 -0.01 0.00 -0.87 0.00 0.00 58.31 56.16 2rpc n LYS 73 Cb 0.32 -1.47 0.01 0.00 0.02 0.00 0.00 35.03 33.91 2rpc n LYS 73 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2rpc n ALA 74 N 0.51 -1.35 -0.05 3.14 0.00 -1.26 -5.04 120.51 116.46 2rpc n ALA 74 Ca 0.14 -0.49 -0.01 0.00 0.00 0.00 0.00 53.44 53.08 2rpc n ALA 74 Cb 0.47 0.26 -0.00 0.00 0.00 0.00 0.00 19.45 20.18 2rpc n ALA 74 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2rpc h LYS 75 N 0.00 0.00 -0.65 0.00 1.79 -1.97 -3.29 116.57 112.45 2rpc h LYS 75 Ca -0.13 0.00 0.19 0.00 -2.18 0.00 0.00 60.65 58.53 2rpc h LYS 75 Cb 0.58 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.21 2rpc h LYS 75 CO 0.18 0.00 0.56 0.10 -1.08 0.00 0.00 179.45 179.20 2rpc h TYR 76 N -0.89 0.00 -0.10 -1.35 -0.00 -1.99 0.48 116.97 113.13 2rpc h TYR 76 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 58.73 58.64 2rpc h TYR 76 Cb 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.79 2rpc h TYR 76 CO -0.03 0.00 -0.34 0.87 -0.00 0.00 0.00 178.16 178.66 2rpc h LYS 77 N 0.00 0.19 0.06 0.10 1.79 -1.97 -2.53 116.57 114.21 2rpc h LYS 77 Ca 0.31 -0.08 -0.21 0.00 -2.18 0.00 0.00 60.65 58.49 2rpc h LYS 77 Cb 1.42 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 32.05 2rpc h LYS 77 CO -0.00 0.51 -1.10 1.25 -1.08 0.00 0.00 179.45 179.03 2rpc h LEU 78 N 0.17 0.19 -0.86 2.94 5.85 -0.16 -3.31 115.31 120.13 2rpc h LEU 78 Ca 0.02 -0.78 0.17 0.00 0.84 0.00 0.00 57.88 58.13 2rpc h LEU 78 Cb 0.69 -0.06 -0.10 0.00 0.37 0.00 0.00 40.66 41.55 2rpc h LEU 78 CO 0.05 1.46 0.42 0.58 -0.34 0.00 0.00 178.44 180.61 2rpc h VAL 79 N -0.64 0.66 -0.55 1.05 2.07 -1.20 0.13 116.25 117.77 2rpc h VAL 79 Ca -0.26 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 2rpc h VAL 79 Cb 1.48 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 2rpc h VAL 79 CO -0.03 0.10 0.24 -0.55 0.02 0.00 0.00 177.57 177.35 2rpc h ASN 80 N 0.56 0.70 -0.31 0.57 7.08 -1.60 -2.72 115.58 119.86 2rpc h ASN 80 Ca 0.49 -0.07 -0.01 0.00 -3.08 0.00 0.00 56.30 53.62 2rpc h ASN 80 Cb 0.76 -0.18 -0.01 0.00 -2.08 0.00 0.00 38.32 36.81 2rpc h ASN 80 CO -0.41 0.61 0.14 -0.74 -2.08 0.00 0.00 177.43 174.95 2rpc h HIS 81 N 0.77 0.46 0.00 4.14 2.76 -0.84 -2.00 115.15 120.45 2rpc h HIS 81 Ca 0.19 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 2rpc h HIS 81 Cb 0.11 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 28.93 2rpc h HIS 81 CO 0.01 0.42 0.27 0.82 -1.30 0.00 0.00 177.93 178.16 2rpc h ILE 82 N 0.36 0.00 0.00 6.26 2.04 -1.09 0.21 117.51 125.29 2rpc h ILE 82 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.96 2rpc h ILE 82 Cb 0.15 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 2rpc h ILE 82 CO -0.01 0.00 0.00 0.03 0.00 0.00 0.00 178.15 178.17 2rpc h ARG 83 N 0.00 0.00 0.00 2.37 2.47 -1.35 -1.51 114.38 116.37 2rpc h ARG 83 Ca 0.00 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.64 2rpc h ARG 83 Cb 0.55 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.85 2rpc h ARG 83 CO 0.00 0.00 -1.06 -0.39 0.56 0.00 0.00 179.97 179.08 2rpc h VAL 84 N 0.00 0.31 0.00 2.04 -1.51 -0.73 -3.30 116.25 113.06 2rpc h VAL 84 Ca 0.00 -1.56 0.00 0.00 -1.23 0.00 0.00 66.70 63.91 2rpc h VAL 84 Cb 0.21 1.86 0.00 0.00 -2.13 0.00 0.00 31.29 31.23 2rpc h VAL 84 CO 0.00 0.17 0.00 1.41 -1.23 0.00 0.00 177.57 177.92 2rpc n HIS 85 N -2.86 0.00 0.62 5.19 8.25 -0.57 -2.19 115.22 123.67 2rpc n HIS 85 Ca -0.04 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.49 2rpc n HIS 85 Cb 0.70 -0.27 -0.00 0.00 1.12 0.00 0.00 29.99 31.53 2rpc n HIS 85 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2rpc n THR 86 N -1.27 0.00 1.05 1.59 -2.24 -1.24 -4.47 114.28 107.70 2rpc n THR 86 Ca 0.10 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2rpc n THR 86 Cb 0.16 1.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 2rpc n THR 86 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rpc n GLY 87 N 1.06 0.14 3.68 3.38 0.00 -0.93 -4.77 105.19 107.74 2rpc n GLY 87 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2rpc n GLY 87 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2rpc s GLU 88 N -1.52 4.34 0.16 1.61 2.12 -1.26 -5.04 118.70 119.11 2rpc s GLU 88 Ca 0.00 1.27 -0.01 0.00 0.36 0.00 0.00 54.97 56.59 2rpc s GLU 88 Cb 0.00 -3.58 -0.04 0.00 0.26 0.00 0.00 34.13 30.77 2rpc s GLU 88 CO 0.00 -0.40 0.35 0.15 -0.54 0.00 0.00 175.26 174.82 2rpc s LYS 89 N 2.34 3.52 -0.02 4.30 -0.14 -1.26 -5.04 119.74 123.44 2rpc s LYS 89 Ca 0.44 -0.34 -0.25 0.00 -1.36 0.00 0.00 55.97 54.46 2rpc s LYS 89 Cb -0.17 -2.89 -0.19 0.00 -1.68 0.00 0.00 37.83 32.90 2rpc s LYS 89 CO 0.13 0.46 1.20 -1.00 -0.76 0.00 0.00 175.35 175.38 2rpc h PRO 90 N 2.33 -0.09 -2.28 -1.68 0.13 -1.88 -3.46 132.00 125.07 2rpc h PRO 90 Ca -0.47 0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.63 2rpc h PRO 90 Cb 1.18 0.02 -0.23 0.00 0.13 0.00 0.00 31.00 32.10 2rpc h PRO 90 CO 0.70 0.36 -0.13 -0.59 -0.23 0.00 0.00 178.00 178.11 2rpc s PHE 91 N -4.18 -0.89 0.00 1.56 -0.12 -1.26 -5.17 117.98 107.91 2rpc s PHE 91 Ca -0.15 1.79 0.00 0.00 -0.05 0.00 0.00 56.93 58.51 2rpc s PHE 91 Cb 0.02 0.49 0.00 0.00 -0.63 0.00 0.00 43.02 42.89 2rpc s PHE 91 CO 0.62 -0.46 0.00 -0.35 -0.05 0.00 0.00 175.22 174.98 2rpc n PRO 92 N 4.41 -0.85 -3.30 1.99 -0.04 -1.26 -4.18 135.00 131.77 2rpc n PRO 92 Ca -0.20 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.87 2rpc n PRO 92 Cb 0.57 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.97 2rpc n PRO 92 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2rpc n PRO 94 N 2.50 0.49 -4.13 0.00 -0.04 -1.26 -4.64 135.00 127.92 2rpc n PRO 94 Ca -0.09 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.02 2rpc n PRO 94 Cb 0.51 -1.31 -0.12 0.00 -0.04 0.00 0.00 33.50 32.54 2rpc n PRO 94 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2rpc s PHE 95 N -2.00 3.07 -0.02 0.54 2.19 -1.26 -5.02 117.98 115.48 2rpc s PHE 95 Ca 0.15 -0.33 -0.24 0.00 0.33 0.00 0.00 56.93 56.83 2rpc s PHE 95 Cb 0.07 -2.06 -0.18 0.00 -1.31 0.00 0.00 43.02 39.54 2rpc s PHE 95 CO 0.11 -0.14 1.14 -1.00 1.83 0.00 0.00 175.22 177.16 2rpc h PRO 96 N 7.22 -0.20 0.00 10.12 0.13 -2.01 -2.29 132.00 144.97 2rpc h PRO 96 Ca -0.35 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2rpc h PRO 96 Cb 1.18 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2rpc h PRO 96 CO 0.63 0.22 0.00 0.41 -0.23 0.00 0.00 178.00 179.02 2rpc n GLY 97 N 0.16 -0.43 0.14 1.56 0.00 -1.26 -2.74 105.19 102.61 2rpc n GLY 97 Ca -0.09 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 2rpc n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rpc n GLY 99 N 1.27 -0.31 3.90 0.00 0.00 -0.87 -4.95 105.19 104.23 2rpc n GLY 99 Ca -0.53 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 2rpc n GLY 99 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2rpc s LYS 100 N -4.86 3.62 -0.01 1.61 2.47 -1.26 -4.93 119.74 116.38 2rpc s LYS 100 Ca 0.00 -0.08 0.02 0.00 -1.56 0.00 0.00 55.97 54.35 2rpc s LYS 100 Cb 0.00 -2.77 0.00 0.00 -1.46 0.00 0.00 37.83 33.60 2rpc s LYS 100 CO 0.00 0.37 -0.06 0.42 0.16 0.00 0.00 175.35 176.24 2rpc s ILE 101 N -1.83 0.49 0.26 5.43 1.01 -1.26 -0.38 121.20 124.92 2rpc s ILE 101 Ca 0.42 -0.23 0.11 0.00 0.00 0.00 0.00 60.65 60.94 2rpc s ILE 101 Cb -0.11 -0.44 -0.05 0.00 0.01 0.00 0.00 42.46 41.87 2rpc s ILE 101 CO 0.26 0.15 -0.18 -0.36 0.00 0.00 0.00 174.94 174.82 2rpc s PHE 102 N 0.07 2.13 -0.59 3.97 0.40 -1.26 -5.01 117.98 117.69 2rpc s PHE 102 Ca -0.00 -0.40 0.22 0.00 -0.60 0.00 0.00 56.93 56.14 2rpc s PHE 102 Cb -0.05 -0.94 -0.26 0.00 0.51 0.00 0.00 43.02 42.28 2rpc s PHE 102 CO -0.00 0.62 0.74 0.00 0.70 0.00 0.00 175.22 177.27 2rpc n ALA 103 N -0.55 3.90 -2.48 5.36 0.00 -1.26 -4.39 120.51 121.08 2rpc n ALA 103 Ca -0.06 -0.56 -0.31 0.00 0.00 0.00 0.00 53.44 52.51 2rpc n ALA 103 Cb 0.60 -0.77 -0.12 0.00 0.00 0.00 0.00 19.45 19.16 2rpc n ALA 103 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2rpc s ARG 104 N -3.22 2.23 0.01 0.00 0.52 -1.26 -4.83 118.95 112.40 2rpc s ARG 104 Ca 0.01 -0.88 -0.22 0.00 -0.52 0.00 0.00 55.73 54.11 2rpc s ARG 104 Cb 0.15 -2.27 -0.17 0.00 0.52 0.00 0.00 34.95 33.17 2rpc s ARG 104 CO 0.88 0.57 1.28 0.77 0.02 0.00 0.00 175.30 178.82 2rpc h SER 105 N 4.69 0.25 -0.64 0.23 0.02 -1.99 -2.85 113.55 113.26 2rpc h SER 105 Ca -0.47 -0.52 0.10 0.00 -0.84 0.00 0.00 61.79 60.05 2rpc h SER 105 Cb 1.16 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.58 2rpc h SER 105 CO 0.49 0.72 0.43 -0.08 -1.14 0.00 0.00 176.83 177.25 2rpc h GLU 106 N -0.22 0.47 -0.24 3.45 4.81 -1.99 -0.12 114.58 120.74 2rpc h GLU 106 Ca 0.01 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 2rpc h GLU 106 Cb 0.67 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 2rpc h GLU 106 CO 0.03 0.31 -0.07 -0.91 -0.73 0.00 0.00 179.01 177.64 2rpc h ASN 107 N 0.48 0.48 0.41 1.04 4.21 -1.97 -1.96 115.58 118.27 2rpc h ASN 107 Ca 0.30 -0.37 -0.02 0.00 1.21 0.00 0.00 56.30 57.42 2rpc h ASN 107 Cb 0.52 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 37.59 2rpc h ASN 107 CO -0.09 0.74 -0.19 0.25 -1.29 0.00 0.00 177.43 176.84 2rpc h LEU 108 N 0.21 -0.46 -0.82 1.61 5.85 -1.08 0.74 115.31 121.37 2rpc h LEU 108 Ca 0.06 -0.11 0.16 0.00 0.84 0.00 0.00 57.88 58.83 2rpc h LEU 108 Cb 0.53 0.12 -0.10 0.00 0.37 0.00 0.00 40.66 41.58 2rpc h LEU 108 CO 0.03 -0.12 0.35 0.07 -0.34 0.00 0.00 178.44 178.42 2rpc h LYS 109 N -0.83 0.45 -0.03 1.25 2.10 -1.13 0.98 116.57 119.37 2rpc h LYS 109 Ca -0.06 -0.03 -0.14 0.00 -2.00 0.00 0.00 60.65 58.43 2rpc h LYS 109 Cb 0.54 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 31.76 2rpc h LYS 109 CO 0.09 0.30 -0.61 0.82 -2.00 0.00 0.00 179.45 178.05 2rpc h ILE 110 N 0.47 1.41 0.00 0.07 2.04 -1.30 -2.68 117.51 117.52 2rpc h ILE 110 Ca 0.46 -2.05 -0.02 0.00 1.00 0.00 0.00 64.86 64.26 2rpc h ILE 110 Cb 0.75 2.07 -0.00 0.00 -0.74 0.00 0.00 36.82 38.90 2rpc h ILE 110 CO -0.43 0.59 -0.19 -0.74 0.00 0.00 0.00 178.15 177.38 2rpc h HIS 111 N 0.09 0.00 0.12 1.37 2.76 0.18 -3.28 115.15 116.38 2rpc h HIS 111 Ca -0.01 0.00 -0.27 0.00 -2.20 0.00 0.00 60.37 57.89 2rpc h HIS 111 Cb 1.10 0.00 0.01 0.00 1.55 0.00 0.00 27.41 30.07 2rpc h HIS 111 CO 0.01 0.10 -1.21 0.87 -1.30 0.00 0.00 177.93 176.40 2rpc h LYS 112 N 0.00 0.38 0.00 5.26 1.57 0.10 -3.18 116.57 120.70 2rpc h LYS 112 Ca -0.00 -0.56 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 2rpc h LYS 112 Cb 1.08 0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.58 2rpc h LYS 112 CO 0.01 1.24 0.00 0.07 -0.57 0.00 0.00 179.45 180.20 2rpc h ARG 113 N 0.14 0.00 -0.00 3.15 0.11 -1.53 -0.44 114.38 115.80 2rpc h ARG 113 Ca -0.14 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.94 2rpc h ARG 113 Cb 1.90 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.98 2rpc h ARG 113 CO 0.21 0.00 -0.38 -2.37 0.10 0.00 0.00 179.97 177.53 2rpc n THR 114 N -2.61 0.00 -0.04 0.08 5.66 -1.20 -4.12 114.28 112.05 2rpc n THR 114 Ca -0.00 -0.07 -0.16 0.00 -3.05 0.00 0.00 64.05 60.77 2rpc n THR 114 Cb 0.15 0.34 -0.13 0.00 -1.55 0.00 0.00 70.33 69.13 2rpc n THR 114 CO 0.00 0.00 0.00 0.45 -3.05 0.00 0.00 175.07 172.47 2rpc h HIS 115 N 0.64 0.15 -2.06 1.09 3.86 -1.15 -3.47 115.15 114.20 2rpc h HIS 115 Ca 0.00 -0.11 -0.46 0.00 -1.16 0.00 0.00 60.37 58.64 2rpc h HIS 115 Cb 0.50 -0.01 0.24 0.00 1.06 0.00 0.00 27.41 29.21 2rpc h HIS 115 CO 0.00 1.08 -1.38 -2.37 0.86 0.00 0.00 177.93 176.12 2rpc n THR 116 N -4.48 0.00 0.00 2.45 5.66 -1.24 -4.56 114.28 112.11 2rpc n THR 116 Ca -0.11 -0.25 0.00 0.00 -3.05 0.00 0.00 64.05 60.64 2rpc n THR 116 Cb 0.57 -0.50 0.00 0.00 -1.55 0.00 0.00 70.33 68.85 2rpc n THR 116 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2rpc n GLY 117 N 2.29 1.70 3.88 1.09 0.00 -1.26 -5.05 105.19 107.84 2rpc n GLY 117 Ca 0.00 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 2rpc n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rpc s GLU 118 N 0.00 3.65 0.15 1.61 0.41 -1.26 -5.09 118.70 118.17 2rpc s GLU 118 Ca 0.00 -0.00 -0.16 0.00 -0.41 0.00 0.00 54.97 54.39 2rpc s GLU 118 Cb 0.00 -2.99 -0.07 0.00 -1.78 0.00 0.00 34.13 29.29 2rpc s GLU 118 CO 0.00 0.57 0.59 0.15 -0.49 0.00 0.00 175.26 176.08 2rpc s LYS 119 N -2.07 4.08 0.22 1.61 3.01 -1.26 -4.99 119.74 120.33 2rpc s LYS 119 Ca 0.33 0.62 -0.02 0.00 -1.01 0.00 0.00 55.97 55.89 2rpc s LYS 119 Cb -0.13 -2.98 0.20 0.00 -1.01 0.00 0.00 37.83 33.91 2rpc s LYS 119 CO 0.19 0.49 1.58 -1.00 0.51 0.00 0.00 175.35 177.12 2rpc h PRO 120 N 3.70 0.56 -4.87 -1.68 0.13 -1.88 -3.42 132.00 124.55 2rpc h PRO 120 Ca -0.49 -0.30 -0.66 0.00 -0.87 0.00 0.00 66.00 63.69 2rpc h PRO 120 Cb 1.20 0.01 -0.21 0.00 0.13 0.00 0.00 31.00 32.12 2rpc h PRO 120 CO 0.65 0.89 -0.58 -0.06 -0.23 0.00 0.00 178.00 178.67 2rpc s PHE 121 N -4.20 3.15 -0.05 1.56 0.40 -0.00 -5.02 117.98 113.81 2rpc s PHE 121 Ca -0.07 -0.37 0.05 0.00 -0.60 0.00 0.00 56.93 55.94 2rpc s PHE 121 Cb 0.12 -2.31 -0.01 0.00 0.51 0.00 0.00 43.02 41.33 2rpc s PHE 121 CO 0.83 -0.36 -0.22 0.21 0.70 0.00 0.00 175.22 176.38 2rpc s LYS 122 N 1.64 2.24 -0.44 0.44 2.20 -1.26 0.53 119.74 125.09 2rpc s LYS 122 Ca 0.06 -0.78 -0.43 0.00 -0.36 0.00 0.00 55.97 54.45 2rpc s LYS 122 Cb -0.16 -1.91 -0.18 0.00 -1.51 0.00 0.00 37.83 34.07 2rpc s LYS 122 CO 0.06 0.32 1.91 0.00 -0.36 0.00 0.00 175.35 177.28 2rpc n GLU 124 N 6.12 0.28 -2.35 0.00 1.02 -1.26 -4.73 120.64 119.72 2rpc n GLU 124 Ca 0.41 0.11 -0.42 0.00 -0.02 0.00 0.00 57.16 57.23 2rpc n GLU 124 Cb 0.02 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.91 2rpc n GLU 124 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2rpc s PHE 125 N -2.46 3.09 0.21 -0.32 5.36 -1.26 -4.98 117.98 117.62 2rpc s PHE 125 Ca 0.17 1.06 -0.30 0.00 -0.96 0.00 0.00 56.93 56.90 2rpc s PHE 125 Cb 0.11 -3.52 -0.09 0.00 -0.34 0.00 0.00 43.02 39.17 2rpc s PHE 125 CO 0.23 -1.78 1.34 -2.00 -1.46 0.00 0.00 175.22 171.55 2rpc s GLU 126 N 2.11 4.36 0.00 10.12 2.56 -1.26 -2.53 118.70 134.07 2rpc s GLU 126 Ca 0.60 2.10 0.00 0.00 0.00 0.00 0.00 54.97 57.67 2rpc s GLU 126 Cb -0.28 -3.18 0.00 0.00 2.00 0.00 0.00 34.13 32.67 2rpc s GLU 126 CO 0.25 -0.29 0.00 0.41 -0.56 0.00 0.00 175.26 175.07 2rpc n GLY 127 N 2.32 0.55 3.44 -1.50 0.00 -1.26 -5.04 105.19 103.70 2rpc n GLY 127 Ca 0.06 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 2rpc n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rpc s ASP 129 N -1.24 4.37 0.16 0.00 -1.08 -1.26 -4.88 116.67 112.73 2rpc s ASP 129 Ca 0.13 -1.60 -0.08 0.00 -0.52 0.00 0.00 52.55 50.48 2rpc s ASP 129 Cb -0.10 -1.43 -0.01 0.00 -1.46 0.00 0.00 42.92 39.92 2rpc s ASP 129 CO 0.04 -0.28 0.25 -0.13 0.52 0.00 0.00 175.17 175.57 2rpc s ARG 130 N 1.15 1.12 -0.04 4.34 1.81 -1.26 -5.05 118.95 121.03 2rpc s ARG 130 Ca -0.00 -1.20 0.00 0.00 -1.72 0.00 0.00 55.73 52.80 2rpc s ARG 130 Cb -0.19 0.36 0.03 0.00 -0.45 0.00 0.00 34.95 34.69 2rpc s ARG 130 CO -0.08 -0.40 -0.00 1.03 -0.68 0.00 0.00 175.30 175.17 2rpc s ARG 131 N -3.98 0.39 0.05 3.54 1.81 -1.26 -4.05 118.95 115.46 2rpc s ARG 131 Ca 0.18 0.08 0.02 0.00 -1.72 0.00 0.00 55.73 54.28 2rpc s ARG 131 Cb 0.04 -0.60 -0.03 0.00 -0.45 0.00 0.00 34.95 33.91 2rpc s ARG 131 CO 0.00 -0.16 -0.07 -0.06 -0.68 0.00 0.00 175.30 174.33 2rpc s PHE 132 N 1.22 0.67 -0.09 -0.53 0.08 0.19 -5.02 117.98 114.49 2rpc s PHE 132 Ca -0.07 -0.59 0.18 0.00 0.12 0.00 0.00 56.93 56.57 2rpc s PHE 132 Cb -0.13 -0.40 -0.27 0.00 -0.57 0.00 0.00 43.02 41.65 2rpc s PHE 132 CO -0.02 -0.11 0.27 0.00 -0.10 0.00 0.00 175.22 175.25 2rpc n ALA 133 N 1.16 2.21 -2.50 5.36 0.00 -1.26 -0.82 120.51 124.66 2rpc n ALA 133 Ca -0.21 -0.78 -0.25 0.00 0.00 0.00 0.00 53.44 52.21 2rpc n ALA 133 Cb 0.56 -0.43 -0.14 0.00 0.00 0.00 0.00 19.45 19.44 2rpc n ALA 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2rpc s ASN 134 N -4.65 2.32 0.18 0.00 2.20 -1.26 -4.66 114.94 109.08 2rpc s ASN 134 Ca -0.08 -0.47 -0.14 0.00 -0.94 0.00 0.00 52.86 51.23 2rpc s ASN 134 Cb 0.09 -0.20 0.17 0.00 -2.00 0.00 0.00 41.25 39.31 2rpc s ASN 134 CO 0.77 0.16 1.68 0.77 -2.94 0.00 0.00 177.10 177.55 2rpc h SER 135 N 5.08 -0.23 -0.96 3.54 4.64 -1.98 -1.61 113.55 122.03 2rpc h SER 135 Ca -0.41 0.12 0.23 0.00 -0.47 0.00 0.00 61.79 61.26 2rpc h SER 135 Cb 1.16 0.21 -0.18 0.00 -0.31 0.00 0.00 62.40 63.28 2rpc h SER 135 CO 0.45 -0.08 -0.10 -1.28 -0.87 0.00 0.00 176.83 174.95 2rpc h SER 136 N 0.10 -0.67 -0.08 4.97 0.87 -1.98 0.44 113.55 117.20 2rpc h SER 136 Ca 0.24 0.28 -0.00 0.00 -1.23 0.00 0.00 61.79 61.08 2rpc h SER 136 Cb 0.36 0.53 -0.00 0.00 -0.44 0.00 0.00 62.40 62.85 2rpc h SER 136 CO -0.41 -0.33 0.05 0.44 -0.53 0.00 0.00 176.83 176.06 2rpc h ASP 137 N 0.01 0.10 -0.79 6.23 5.19 -1.71 0.43 116.42 125.88 2rpc h ASP 137 Ca 0.52 -0.04 0.06 0.00 -0.62 0.00 0.00 57.03 56.95 2rpc h ASP 137 Cb 0.95 -0.03 -0.05 0.00 0.18 0.00 0.00 39.33 40.38 2rpc h ASP 137 CO -0.94 0.11 0.52 -0.09 -3.12 0.00 0.00 179.24 175.72 2rpc h ARG 138 N 0.08 0.83 0.00 3.56 2.43 -0.09 0.13 114.38 121.32 2rpc h ARG 138 Ca 0.03 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 2rpc h ARG 138 Cb 0.03 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 2rpc h ARG 138 CO -0.01 0.55 -0.39 -0.22 -1.51 0.00 0.00 179.97 178.39 2rpc h LYS 139 N 0.85 0.00 0.00 0.20 1.63 -0.37 -3.22 116.57 115.66 2rpc h LYS 139 Ca 0.34 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 60.11 2rpc h LYS 139 Cb 0.23 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.86 2rpc h LYS 139 CO -0.12 0.20 -0.19 0.87 -3.45 0.00 0.00 179.45 176.77 2rpc h LYS 140 N 0.00 0.00 -0.01 1.90 1.57 0.15 -3.12 116.57 117.06 2rpc h LYS 140 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2rpc h LYS 140 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2rpc h LYS 140 CO 0.03 0.11 -0.04 1.58 -0.57 0.00 0.00 179.45 180.56 2rpc n HIS 141 N -3.10 0.00 0.11 -1.35 -0.00 -0.13 -3.48 115.22 107.28 2rpc n HIS 141 Ca 0.03 0.00 0.09 0.00 0.46 0.00 0.00 57.72 58.30 2rpc n HIS 141 Cb 0.58 -0.04 0.02 0.00 -0.12 0.00 0.00 29.99 30.42 2rpc n HIS 141 CO 0.00 0.00 0.00 0.52 0.46 0.00 0.00 176.34 177.32 2rpc h MET 142 N 1.25 0.00 -0.04 1.57 2.86 -1.64 -3.33 114.93 115.60 2rpc h MET 142 Ca 0.00 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2rpc h MET 142 Cb 0.33 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 2rpc h MET 142 CO 0.00 0.07 0.24 0.45 1.06 0.00 0.00 176.91 178.73 2rpc h HIS 143 N 0.00 0.00 0.00 -0.22 3.86 -1.72 0.45 115.15 117.52 2rpc h HIS 143 Ca -0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 2rpc h HIS 143 Cb 1.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.58 2rpc h HIS 143 CO 0.00 0.00 -1.36 1.55 0.86 0.00 0.00 177.93 178.98 2rpc n VAL 144 N -3.06 0.02 0.10 2.45 3.14 -1.25 -3.73 118.33 116.00 2rpc n VAL 144 Ca -0.01 -0.20 -0.19 0.00 -2.96 0.00 0.00 64.34 60.98 2rpc n VAL 144 Cb 0.31 0.55 -0.15 0.00 -1.06 0.00 0.00 33.84 33.50 2rpc n VAL 144 CO 0.00 0.00 0.00 0.45 -6.46 0.00 0.00 176.83 170.82 2rpc h HIS 145 N 0.00 0.60 0.03 1.45 3.86 -0.29 -3.36 115.15 117.44 2rpc h HIS 145 Ca 0.00 -0.44 -0.08 0.00 -1.16 0.00 0.00 60.37 58.69 2rpc h HIS 145 Cb 0.70 -0.02 0.01 0.00 1.06 0.00 0.00 27.41 29.16 2rpc h HIS 145 CO 0.00 1.40 -0.32 1.15 0.86 0.00 0.00 177.93 181.02 2rpc h THR 146 N 0.09 1.59 -3.41 2.45 2.02 -1.55 -3.46 112.91 110.63 2rpc h THR 146 Ca -0.21 -2.15 -0.49 0.00 0.77 0.00 0.00 66.41 64.33 2rpc h THR 146 Cb 2.04 2.97 0.22 0.00 -1.74 0.00 0.00 68.15 71.63 2rpc h THR 146 CO 0.20 0.59 -0.29 -0.24 0.37 0.00 0.00 175.52 176.15 2rpc n SER 147 N -4.44 -1.34 0.00 4.18 2.88 -1.24 -4.96 113.62 108.70 2rpc n SER 147 Ca -0.11 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 2rpc n SER 147 Cb 0.57 -1.25 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 2rpc n SER 147 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2rpc n ASP 148 N -3.21 1.19 -4.63 -3.46 5.75 -1.26 -4.96 116.55 105.97 2rpc n ASP 148 Ca 0.06 -1.39 -0.28 0.00 -0.01 0.00 0.00 54.79 53.17 2rpc n ASP 148 Cb 0.55 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.55 2rpc n ASP 148 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2rpc s LYS 149 N -0.39 2.30 -0.29 0.11 2.47 -1.26 -5.08 119.74 117.59 2rpc s LYS 149 Ca 0.00 -1.06 -0.29 0.00 -1.56 0.00 0.00 55.97 53.06 2rpc s LYS 149 Cb 0.00 -2.35 0.01 0.00 -1.46 0.00 0.00 37.83 34.03 2rpc s LYS 149 CO 0.00 0.48 1.22 -1.54 0.16 0.00 0.00 175.35 175.68 2rpc s SER 150 N -2.60 6.78 0.00 1.43 1.04 -1.26 -5.00 113.70 114.10 2rpc s SER 150 Ca 0.25 1.20 0.00 0.00 0.48 0.00 0.00 55.95 57.88 2rpc s SER 150 Cb -0.10 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.48 2rpc s SER 150 CO 0.17 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 174.01 2rpc n GLY 151 N 4.11 4.35 3.77 7.32 0.00 -1.26 -5.13 105.19 118.35 2rpc n GLY 151 Ca 0.14 -1.99 -0.38 0.00 0.00 0.00 0.00 46.02 43.79 2rpc n GLY 151 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2rpc s PRO 152 N -1.76 3.99 -0.51 1.61 0.04 -1.26 -4.99 135.00 132.11 2rpc s PRO 152 Ca 0.00 1.87 0.07 0.00 0.04 0.00 0.00 61.00 62.98 2rpc s PRO 152 Cb 0.00 -2.64 0.34 0.00 0.04 0.00 0.00 34.50 32.24 2rpc s PRO 152 CO 0.00 -0.38 0.88 0.45 0.04 0.00 0.00 177.00 177.99 2rpc n SER 153 N -0.02 3.37 -0.06 6.66 2.88 -1.26 -4.87 113.62 120.33 2rpc n SER 153 Ca 0.05 -3.48 -0.15 0.00 -1.33 0.00 0.00 58.87 53.96 2rpc n SER 153 Cb 0.46 -0.58 -0.06 0.00 -0.75 0.00 0.00 64.21 63.28 2rpc n SER 153 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2rpc h SER 154 N 2.98 0.75 0.00 -3.46 0.87 -2.01 -3.55 113.55 109.13 2rpc h SER 154 Ca 0.12 -0.56 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2rpc h SER 154 Cb 0.65 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 2rpc h SER 154 CO 0.72 1.17 0.00 0.61 -0.53 0.00 0.00 176.83 178.80