#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 -0.44 0.09 1.61 1.04 -1.26 -5.18 113.70 109.56 2rpc s SER 2 Ca 0.00 0.62 -0.14 0.00 0.48 0.00 0.00 55.95 56.90 2rpc s SER 2 Cb 0.00 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.69 2rpc s SER 2 CO 0.00 -0.31 0.34 -0.94 0.98 0.00 0.00 173.24 173.31 2rpc s SER 3 N -0.64 -0.15 0.14 7.02 1.04 -1.26 -5.06 113.70 114.79 2rpc s SER 3 Ca -0.01 -0.30 -0.08 0.00 0.48 0.00 0.00 55.95 56.03 2rpc s SER 3 Cb -0.02 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.48 2rpc s SER 3 CO -0.00 -0.75 1.41 1.23 0.98 0.00 0.00 173.24 176.11 2rpc h GLY 4 N 2.73 0.77 -7.02 7.32 0.00 -2.04 -3.47 103.07 101.36 2rpc h GLY 4 Ca -0.33 -0.98 -0.60 0.00 0.00 0.00 0.00 47.33 45.42 2rpc h GLY 4 CO 0.48 0.88 -0.91 1.44 0.00 0.00 0.00 176.54 178.42 2rpc n SER 5 N -3.95 -1.05 -4.71 0.19 7.64 -1.26 -4.80 113.62 105.69 2rpc n SER 5 Ca -0.05 -1.20 -0.42 0.00 1.01 0.00 0.00 58.87 58.22 2rpc n SER 5 Cb 0.67 -1.94 -0.03 0.00 -1.01 0.00 0.00 64.21 61.91 2rpc n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2rpc s SER 6 N -3.73 6.39 0.75 6.43 0.01 -1.26 -4.70 113.70 117.59 2rpc s SER 6 Ca 0.47 2.84 0.00 0.00 1.31 0.00 0.00 55.95 60.58 2rpc s SER 6 Cb -0.27 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.37 2rpc s SER 6 CO 0.99 -0.99 0.00 0.61 0.41 0.00 0.00 173.24 174.26 2rpc n GLY 7 N 4.07 0.58 3.55 3.44 0.00 -1.26 -4.76 105.19 110.81 2rpc n GLY 7 Ca 0.17 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 45.06 2rpc n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2rpc s GLN 8 N 0.00 2.65 0.00 1.61 2.00 -1.26 -5.13 119.66 119.53 2rpc s GLN 8 Ca 0.00 -0.61 0.00 0.00 -2.00 0.00 0.00 55.36 52.75 2rpc s GLN 8 Cb 0.00 -2.51 0.00 0.00 0.80 0.00 0.00 33.01 31.30 2rpc s GLN 8 CO 0.00 0.65 0.00 -0.35 -0.50 0.00 0.00 175.29 175.09 2rpc n PRO 9 N 2.20 0.26 -3.73 1.67 -0.04 -1.26 -5.02 135.00 129.07 2rpc n PRO 9 Ca -0.17 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 62.92 2rpc n PRO 9 Cb 0.53 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.92 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 -0.37 5.39 -0.55 0.52 1.01 -1.26 -5.05 121.20 120.89 2rpc s ILE 10 Ca 0.00 0.33 -0.23 0.00 0.00 0.00 0.00 60.65 60.75 2rpc s ILE 10 Cb 0.00 -3.50 0.05 0.00 0.01 0.00 0.00 42.46 39.02 2rpc s ILE 10 CO 0.00 0.52 0.87 -1.59 0.00 0.00 0.00 174.94 174.74 2rpc s LYS 11 N -0.32 3.26 0.02 2.79 -2.85 -1.26 -5.03 119.74 116.35 2rpc s LYS 11 Ca 0.14 -0.46 0.05 0.00 -1.00 0.00 0.00 55.97 54.70 2rpc s LYS 11 Cb -0.12 -4.08 -0.03 0.00 -2.06 0.00 0.00 37.83 31.53 2rpc s LYS 11 CO 0.03 -1.46 -0.12 1.14 0.10 0.00 0.00 175.35 175.04 2rpc s GLN 12 N 3.66 2.34 -0.10 1.78 0.00 -1.26 -5.12 119.66 120.96 2rpc s GLN 12 Ca 0.26 -0.84 -0.08 0.00 -0.00 0.00 0.00 55.36 54.71 2rpc s GLN 12 Cb -0.14 -2.35 -0.04 0.00 0.00 0.00 0.00 33.01 30.47 2rpc s GLN 12 CO 0.17 0.58 0.18 -1.83 0.00 0.00 0.00 175.29 174.38 2rpc s GLU 13 N -1.38 3.50 0.38 9.60 -1.05 -1.26 -4.61 118.70 123.89 2rpc s GLU 13 Ca 0.16 -0.07 0.08 0.00 -0.15 0.00 0.00 54.97 54.99 2rpc s GLU 13 Cb -0.11 -3.19 -0.07 0.00 -0.44 0.00 0.00 34.13 30.33 2rpc s GLU 13 CO 0.06 0.76 0.02 -0.51 0.95 0.00 0.00 175.26 176.54 2rpc s LEU 14 N -1.09 2.92 -0.23 1.83 1.43 -1.21 -5.01 118.68 117.30 2rpc s LEU 14 Ca 0.17 -1.20 -0.13 0.00 -1.03 0.00 0.00 54.13 51.94 2rpc s LEU 14 Cb -0.13 -1.12 0.07 0.00 0.03 0.00 0.00 46.19 45.04 2rpc s LEU 14 CO 0.06 -0.37 0.58 -0.55 0.23 0.00 0.00 176.35 176.30 2rpc s SER 15 N -3.73 -0.77 -0.54 2.29 0.15 -1.26 -3.76 113.70 106.09 2rpc s SER 15 Ca 0.36 1.26 -0.07 0.00 0.70 0.00 0.00 55.95 58.19 2rpc s SER 15 Cb 0.05 1.14 0.14 0.00 -1.71 0.00 0.00 66.02 65.64 2rpc s SER 15 CO 0.19 -0.22 0.39 0.00 1.20 0.00 0.00 173.24 174.80 2rpc s LYS 17 N 0.86 3.06 -0.32 0.00 -0.14 -1.26 -4.29 119.74 117.65 2rpc s LYS 17 Ca 0.10 -0.12 -0.08 0.00 -1.36 0.00 0.00 55.97 54.52 2rpc s LYS 17 Cb -0.23 -4.39 0.02 0.00 -1.68 0.00 0.00 37.83 31.55 2rpc s LYS 17 CO -0.03 -2.36 0.12 -0.46 -0.76 0.00 0.00 175.35 171.86 2rpc s TRP 18 N 6.70 3.20 -0.46 3.18 -0.11 -1.26 -2.70 118.94 127.49 2rpc s TRP 18 Ca 0.46 -1.03 -0.06 0.00 1.22 0.00 0.00 56.10 56.69 2rpc s TRP 18 Cb -0.08 -2.31 0.12 0.00 -1.50 0.00 0.00 33.47 29.70 2rpc s TRP 18 CO 0.13 -0.61 0.30 0.42 -4.62 0.00 0.00 176.95 172.57 2rpc s ILE 19 N 1.50 3.78 -0.04 5.86 1.01 -0.44 -1.19 121.20 131.69 2rpc s ILE 19 Ca 0.02 -2.02 -0.30 0.00 0.00 0.00 0.00 60.65 58.34 2rpc s ILE 19 Cb -0.18 -3.53 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 2rpc s ILE 19 CO 0.04 -0.75 1.37 -0.62 0.00 0.00 0.00 174.94 174.97 2rpc s ASP 20 N 2.12 6.88 0.28 3.58 2.15 -1.26 -4.67 116.67 125.75 2rpc s ASP 20 Ca 0.08 2.01 0.13 0.00 0.43 0.00 0.00 52.55 55.21 2rpc s ASP 20 Cb -0.24 -2.55 0.30 0.00 -0.30 0.00 0.00 42.92 40.13 2rpc s ASP 20 CO -0.03 -0.72 1.56 -0.33 -0.17 0.00 0.00 175.17 175.48 2rpc h GLU 21 N 7.96 0.00 0.00 4.34 4.39 -1.96 -2.89 114.58 126.42 2rpc h GLU 21 Ca -0.36 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.34 2rpc h GLU 21 Cb 1.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 2rpc h GLU 21 CO 0.91 0.60 0.00 0.00 -1.16 0.00 0.00 179.01 179.36 2rpc n ALA 22 N -2.33 2.58 -1.86 3.43 0.00 -1.26 -4.84 120.51 116.21 2rpc n ALA 22 Ca -0.00 -0.18 -0.42 0.00 0.00 0.00 0.00 53.44 52.84 2rpc n ALA 22 Cb 0.67 -1.48 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 2rpc n ALA 22 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2rpc s GLN 23 N -2.05 4.19 0.00 0.00 -2.07 -1.09 -4.89 119.66 113.75 2rpc s GLN 23 Ca 0.43 2.44 0.19 0.00 -1.82 0.00 0.00 55.36 56.59 2rpc s GLN 23 Cb 0.20 -3.12 0.53 0.00 -1.09 0.00 0.00 33.01 29.54 2rpc s GLN 23 CO 0.35 -0.63 1.43 1.28 -1.32 0.00 0.00 175.29 176.41 2rpc n LEU 24 N 3.65 2.61 -4.43 2.60 4.32 -1.26 -4.85 117.00 119.64 2rpc n LEU 24 Ca 0.13 -1.20 -0.34 0.00 -0.02 0.00 0.00 56.01 54.57 2rpc n LEU 24 Cb 0.38 -0.25 -0.13 0.00 -1.62 0.00 0.00 43.42 41.80 2rpc n LEU 24 CO 0.62 0.60 -0.36 -0.44 -1.22 0.00 0.00 177.39 176.59 2rpc s SER 25 N -1.29 4.62 0.21 -1.43 0.01 -1.26 -5.11 113.70 109.45 2rpc s SER 25 Ca 0.35 -0.22 0.10 0.00 1.31 0.00 0.00 55.95 57.49 2rpc s SER 25 Cb 0.19 -1.77 -0.05 0.00 0.21 0.00 0.00 66.02 64.61 2rpc s SER 25 CO 0.26 0.10 -0.20 -0.13 0.41 0.00 0.00 173.24 173.69 2rpc s ARG 26 N 0.76 1.47 0.56 12.44 3.00 -1.26 -3.91 118.95 132.00 2rpc s ARG 26 Ca -0.02 -1.58 -0.19 0.00 0.00 0.00 0.00 55.73 53.95 2rpc s ARG 26 Cb -0.15 -1.56 -0.05 0.00 0.00 0.00 0.00 34.95 33.20 2rpc s ARG 26 CO 0.02 0.31 1.13 -1.25 0.00 0.00 0.00 175.30 175.50 2rpc s PRO 27 N -3.12 3.29 -0.15 3.54 0.04 -1.26 -5.03 135.00 132.31 2rpc s PRO 27 Ca 0.22 1.58 -0.28 0.00 0.04 0.00 0.00 61.00 62.57 2rpc s PRO 27 Cb -0.05 -2.00 -0.13 0.00 0.04 0.00 0.00 34.50 32.36 2rpc s PRO 27 CO 0.10 -0.90 0.85 1.63 0.04 0.00 0.00 177.00 178.72 2rpc n LYS 28 N -1.44 0.00 -4.08 4.56 4.76 -1.25 -4.92 118.16 115.79 2rpc n LYS 28 Ca 0.11 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.32 2rpc n LYS 28 Cb 0.51 -0.97 -0.04 0.00 -1.84 0.00 0.00 35.03 32.69 2rpc n LYS 28 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2rpc s LYS 29 N 0.88 2.99 0.32 1.97 1.02 -1.26 -5.10 119.74 120.56 2rpc s LYS 29 Ca 0.63 -0.93 0.09 0.00 0.02 0.00 0.00 55.97 55.78 2rpc s LYS 29 Cb -0.89 -2.65 -0.05 0.00 -0.52 0.00 0.00 37.83 33.73 2rpc s LYS 29 CO 0.44 0.44 0.01 -1.54 -0.92 0.00 0.00 175.35 173.79 2rpc s SER 30 N -3.54 4.29 -0.43 2.83 1.04 -1.26 -4.22 113.70 112.40 2rpc s SER 30 Ca 0.32 -0.89 -0.28 0.00 0.48 0.00 0.00 55.95 55.58 2rpc s SER 30 Cb -0.09 -0.61 -0.01 0.00 0.10 0.00 0.00 66.02 65.41 2rpc s SER 30 CO 0.25 -0.17 1.68 0.00 0.98 0.00 0.00 173.24 175.98 2rpc s ASP 32 N 5.84 6.49 -0.00 0.00 -1.08 -1.26 -4.47 116.67 122.19 2rpc s ASP 32 Ca 0.70 0.11 -0.30 0.00 -0.52 0.00 0.00 52.55 52.54 2rpc s ASP 32 Cb -0.17 -2.44 0.11 0.00 -1.46 0.00 0.00 42.92 38.96 2rpc s ASP 32 CO 0.30 -1.02 1.16 -0.60 0.52 0.00 0.00 175.17 175.53 2rpc s ARG 33 N 3.66 0.62 0.20 4.34 3.52 -1.26 -5.12 118.95 124.91 2rpc s ARG 33 Ca 0.36 -0.32 -0.10 0.00 -0.13 0.00 0.00 55.73 55.54 2rpc s ARG 33 Cb -0.10 0.23 -0.01 0.00 -1.56 0.00 0.00 34.95 33.50 2rpc s ARG 33 CO 0.25 -0.28 0.35 0.95 -0.81 0.00 0.00 175.30 175.76 2rpc s THR 34 N -2.70 0.03 0.06 4.11 -4.23 -1.26 -4.41 115.64 107.24 2rpc s THR 34 Ca 0.12 -1.44 -0.09 0.00 -1.18 0.00 0.00 61.69 59.11 2rpc s THR 34 Cb 0.02 -2.04 -0.00 0.00 1.34 0.00 0.00 72.50 71.82 2rpc s THR 34 CO -0.03 -0.14 0.18 -0.36 -0.54 0.00 0.00 174.62 173.73 2rpc s PHE 35 N -4.00 0.13 -0.14 3.99 0.40 -1.25 -5.01 117.98 112.10 2rpc s PHE 35 Ca 0.21 -0.46 0.21 0.00 -0.60 0.00 0.00 56.93 56.29 2rpc s PHE 35 Cb 0.02 -0.06 -0.16 0.00 0.51 0.00 0.00 43.02 43.33 2rpc s PHE 35 CO 0.05 -0.48 0.74 0.43 0.70 0.00 0.00 175.22 176.66 2rpc n SER 36 N 0.31 0.48 -4.26 1.36 7.64 -1.26 -3.33 113.62 114.56 2rpc n SER 36 Ca -0.17 0.19 -0.14 0.00 1.01 0.00 0.00 58.87 59.76 2rpc n SER 36 Cb 0.61 1.03 -0.10 0.00 -1.01 0.00 0.00 64.21 64.74 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 -3.32 0.81 -0.01 0.44 -4.23 -1.26 -4.52 115.64 103.54 2rpc s THR 37 Ca -0.04 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.23 2rpc s THR 37 Cb 0.11 -2.10 -0.16 0.00 1.34 0.00 0.00 72.50 71.68 2rpc s THR 37 CO 0.84 -0.50 1.11 -0.03 -0.54 0.00 0.00 174.62 175.50 2rpc h MET 38 N 2.68 -0.31 -0.83 3.99 4.05 -1.93 -3.10 114.93 119.48 2rpc h MET 38 Ca -0.37 0.02 0.17 0.00 -0.28 0.00 0.00 59.70 59.24 2rpc h MET 38 Cb 1.20 0.07 -0.16 0.00 -0.80 0.00 0.00 31.60 31.92 2rpc h MET 38 CO 0.63 0.05 -0.19 1.25 0.23 0.00 0.00 176.91 178.89 2rpc h HIS 39 N -0.78 -0.40 -0.83 1.39 -0.00 -1.99 0.81 115.15 113.35 2rpc h HIS 39 Ca -0.03 0.07 0.09 0.00 -0.00 0.00 0.00 60.37 60.50 2rpc h HIS 39 Cb 0.51 0.31 -0.06 0.00 -0.00 0.00 0.00 27.41 28.17 2rpc h HIS 39 CO 0.05 -0.35 0.54 0.93 -0.00 0.00 0.00 177.93 179.09 2rpc h GLU 40 N 0.01 0.77 0.00 5.26 4.39 -1.99 0.67 114.58 123.69 2rpc h GLU 40 Ca 0.41 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.98 2rpc h GLU 40 Cb 0.64 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 2rpc h GLU 40 CO -0.85 0.51 -0.37 1.25 -1.16 0.00 0.00 179.01 178.39 2rpc h LEU 41 N 0.79 0.00 0.30 1.33 5.85 0.62 -3.07 115.31 121.13 2rpc h LEU 41 Ca 0.38 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.08 2rpc h LEU 41 Cb 0.42 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.45 2rpc h LEU 41 CO -0.15 0.37 -0.14 0.58 -0.34 0.00 0.00 178.44 178.76 2rpc h VAL 42 N 0.00 0.16 -0.87 1.05 2.07 0.10 -0.07 116.25 118.69 2rpc h VAL 42 Ca -0.00 -0.77 0.25 0.00 0.82 0.00 0.00 66.70 66.99 2rpc h VAL 42 Cb 0.97 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 2rpc h VAL 42 CO 0.05 0.04 0.62 0.74 0.02 0.00 0.00 177.57 179.05 2rpc h THR 43 N -1.07 0.57 0.00 2.57 2.02 -1.39 0.41 112.91 116.01 2rpc h THR 43 Ca -0.04 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.13 2rpc h THR 43 Cb 0.38 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 2rpc h THR 43 CO 0.07 0.01 -0.07 -0.74 0.37 0.00 0.00 175.52 175.16 2rpc h HIS 44 N 0.04 0.00 -0.10 3.16 -0.00 -1.57 -0.07 115.15 116.61 2rpc h HIS 44 Ca 0.42 0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.82 2rpc h HIS 44 Cb 1.62 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 29.03 2rpc h HIS 44 CO -0.00 0.00 0.31 0.28 -0.00 0.00 0.00 177.93 178.52 2rpc h VAL 45 N -0.72 0.12 0.00 5.26 2.07 -0.68 2.19 116.25 124.49 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 0.07 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 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 -3.15 1.47 -0.10 2.57 -1.04 0.14 -2.11 114.28 112.06 2rpc n THR 46 Ca 0.00 0.08 -0.20 0.00 -2.04 0.00 0.00 64.05 61.89 2rpc n THR 46 Cb 0.39 -2.25 -0.12 0.00 -1.82 0.00 0.00 70.33 66.53 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 -0.65 2.00 114.93 115.32 2rpc h MET 47 Ca -0.16 -0.00 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 -0.10 1.00 0.00 0.39 1.06 0.00 0.00 176.91 179.27 2rpc n GLU 48 N -4.46 0.51 0.00 1.72 -0.58 0.70 -2.07 120.64 116.47 2rpc n GLU 48 Ca -0.28 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.46 2rpc n GLU 48 Cb 0.64 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 30.16 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 -0.85 -0.04 0.49 -0.32 8.25 0.94 -4.81 115.22 118.87 2rpc n HIS 49 Ca 0.09 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.63 2rpc n HIS 49 Cb 0.04 0.41 0.37 0.00 1.12 0.00 0.00 29.99 31.93 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 -2.24 0.91 0.00 1.59 0.31 0.53 -4.96 118.33 114.48 2rpc n VAL 50 Ca 0.00 0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.56 2rpc n VAL 50 Cb 0.00 -1.02 0.00 0.00 -0.91 0.00 0.00 33.84 31.91 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 0.07 -1.18 0.38 2.92 0.00 0.65 -4.78 105.19 103.25 2rpc n GLY 51 Ca 0.03 -1.59 -0.02 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.10 0.73 0.00 -0.02 0.00 -1.26 -3.66 105.19 99.88 2rpc n GLY 52 Ca 0.00 -1.96 0.06 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.18 0.49 0.01 1.61 -0.04 -1.26 -2.48 135.00 132.15 2rpc n PRO 53 Ca 0.02 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.35 2rpc n PRO 53 Cb 0.06 -1.39 -0.14 0.00 -0.04 0.00 0.00 33.50 31.99 2rpc n PRO 53 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2rpc h GLU 54 N 0.00 0.11 -6.53 0.54 4.39 -1.98 -3.46 114.58 107.64 2rpc h GLU 54 Ca 0.00 -0.18 -0.53 0.00 0.34 0.00 0.00 59.36 58.99 2rpc h GLU 54 Cb 0.00 0.07 0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2rpc h GLU 54 CO 0.00 0.83 0.63 -0.65 -1.16 0.00 0.00 179.01 178.66 2rpc s GLN 55 N -2.61 4.39 0.00 2.33 -0.21 -1.04 -4.98 119.66 117.54 2rpc s GLN 55 Ca -0.08 1.91 0.00 0.00 0.02 0.00 0.00 55.36 57.21 2rpc s GLN 55 Cb 0.08 -3.29 0.00 0.00 1.00 0.00 0.00 33.01 30.80 2rpc s GLN 55 CO 0.82 -0.32 0.07 0.09 -2.12 0.00 0.00 175.29 173.84 2rpc n ASN 56 N 3.77 0.00 -4.54 5.90 4.13 -1.26 -4.66 115.26 118.59 2rpc n ASN 56 Ca 0.09 0.34 -0.41 0.00 1.68 0.00 0.00 54.58 56.29 2rpc n ASN 56 Cb 0.44 -0.30 -0.03 0.00 -1.54 0.00 0.00 39.78 38.36 2rpc n ASN 56 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 2rpc s ASN 57 N -2.17 6.16 -0.20 6.41 2.47 -1.26 -4.99 114.94 121.36 2rpc s ASN 57 Ca 0.00 -0.50 -0.07 0.00 0.42 0.00 0.00 52.86 52.71 2rpc s ASN 57 Cb 0.00 -2.55 -0.03 0.00 -1.45 0.00 0.00 41.25 37.22 2rpc s ASN 57 CO 0.00 -1.80 0.04 -1.38 -3.72 0.00 0.00 177.10 170.24 2rpc s HIS 58 N 5.58 3.15 -0.03 0.43 -3.43 -1.26 -5.09 115.29 114.63 2rpc s HIS 58 Ca 0.34 -0.17 0.00 0.00 -0.80 0.00 0.00 55.06 54.43 2rpc s HIS 58 Cb -0.09 -2.11 0.03 0.00 -1.43 0.00 0.00 32.58 28.98 2rpc s HIS 58 CO 0.15 -0.06 0.00 0.08 -2.00 0.00 0.00 174.74 172.91 2rpc s VAL 59 N 0.79 0.19 -0.30 -5.38 1.01 -1.26 -4.59 120.40 110.87 2rpc s VAL 59 Ca 0.02 0.09 -0.14 0.00 0.00 0.00 0.00 61.98 61.95 2rpc s VAL 59 Cb -0.14 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.92 2rpc s VAL 59 CO 0.02 0.15 0.33 0.00 0.00 0.00 0.00 175.10 175.60 2rpc s TYR 61 N 1.98 3.44 0.16 0.00 2.02 -1.26 -4.35 117.35 119.33 2rpc s TYR 61 Ca 0.12 -1.80 -0.13 0.00 -0.37 0.00 0.00 57.07 54.89 2rpc s TYR 61 Cb -0.16 -3.63 -0.07 0.00 -0.40 0.00 0.00 41.96 37.70 2rpc s TYR 61 CO 0.11 -0.99 0.54 -0.46 -1.57 0.00 0.00 175.55 173.18 2rpc s TRP 62 N 1.07 3.57 0.65 2.71 -0.11 -1.26 -1.32 118.94 124.24 2rpc s TRP 62 Ca 0.08 1.02 0.14 0.00 1.22 0.00 0.00 56.10 58.56 2rpc s TRP 62 Cb -0.24 -2.34 0.67 0.00 -1.50 0.00 0.00 33.47 30.06 2rpc s TRP 62 CO -0.01 0.40 1.35 1.49 -4.62 0.00 0.00 176.95 175.55 2rpc h GLU 63 N 3.39 0.00 -0.00 5.86 4.81 -1.83 -1.85 114.58 124.95 2rpc h GLU 63 Ca -0.48 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.60 2rpc h GLU 63 Cb 1.19 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.42 2rpc h GLU 63 CO 0.66 0.00 -0.31 -0.85 -0.73 0.00 0.00 179.01 177.78 2rpc n GLU 64 N -2.82 0.41 -1.52 1.92 0.28 -1.26 -5.03 120.64 112.62 2rpc n GLU 64 Ca 0.04 -1.11 -0.51 0.00 -0.16 0.00 0.00 57.16 55.42 2rpc n GLU 64 Cb 0.92 0.45 -0.05 0.00 1.43 0.00 0.00 31.44 34.19 2rpc n GLU 64 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2rpc n PRO 66 N 1.57 0.20 0.08 0.00 -0.04 -1.26 -2.32 135.00 133.23 2rpc n PRO 66 Ca 0.17 0.43 0.04 0.00 -0.04 0.00 0.00 63.50 64.11 2rpc n PRO 66 Cb 0.20 -1.89 -0.03 0.00 -0.04 0.00 0.00 33.50 31.74 2rpc n PRO 66 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2rpc h ARG 67 N 0.00 0.00 -0.50 0.54 2.47 -1.96 -3.48 114.38 111.45 2rpc h ARG 67 Ca 0.00 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.61 2rpc h ARG 67 Cb 0.36 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.66 2rpc h ARG 67 CO 0.00 0.21 -0.12 0.39 0.56 0.00 0.00 179.97 181.02 2rpc n GLU 68 N -2.88 -0.40 -1.81 0.04 1.02 -0.98 -3.95 120.64 111.69 2rpc n GLU 68 Ca -0.05 0.47 -0.02 0.00 -0.02 0.00 0.00 57.16 57.54 2rpc n GLU 68 Cb 0.73 -4.23 0.01 0.00 -0.02 0.00 0.00 31.44 27.92 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 -1.68 0.45 3.67 0.62 0.00 -1.26 -5.07 105.19 101.92 2rpc n GLY 69 Ca -0.06 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.22 2.48 0.35 1.61 -0.14 -1.25 -4.98 119.74 114.58 2rpc s LYS 70 Ca 0.07 -0.88 -0.06 0.00 -1.36 0.00 0.00 55.97 53.74 2rpc s LYS 70 Cb -0.01 -2.50 -0.05 0.00 -1.68 0.00 0.00 37.83 33.59 2rpc s LYS 70 CO 0.13 0.53 0.64 -1.54 -0.76 0.00 0.00 175.35 174.35 2rpc s SER 71 N -2.35 6.42 0.45 2.83 1.04 -1.26 -4.70 113.70 116.13 2rpc s SER 71 Ca 0.25 0.82 0.04 0.00 0.48 0.00 0.00 55.95 57.55 2rpc s SER 71 Cb -0.11 -2.19 0.04 0.00 0.10 0.00 0.00 66.02 63.85 2rpc s SER 71 CO 0.18 -0.32 0.33 0.49 0.98 0.00 0.00 173.24 174.90 2rpc n PHE 72 N -1.32 -0.76 -0.89 5.02 3.01 -1.26 -5.04 117.46 116.21 2rpc n PHE 72 Ca -0.01 -1.89 0.08 0.00 1.01 0.00 0.00 57.45 56.64 2rpc n PHE 72 Cb 0.54 -0.36 0.28 0.00 -0.01 0.00 0.00 39.48 39.93 2rpc n PHE 72 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2rpc n LYS 73 N -1.55 3.29 -3.60 -1.08 3.00 -1.26 -4.99 118.16 111.97 2rpc n LYS 73 Ca -0.02 -2.83 -0.04 0.00 -0.00 0.00 0.00 58.31 55.42 2rpc n LYS 73 Cb 0.51 -1.87 -0.03 0.00 0.00 0.00 0.00 35.03 33.64 2rpc n LYS 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2rpc s ALA 74 N -2.62 -2.07 0.01 3.14 0.00 -1.26 -5.02 121.76 113.94 2rpc s ALA 74 Ca 0.43 1.67 -0.25 0.00 0.00 0.00 0.00 51.96 53.81 2rpc s ALA 74 Cb 0.33 -0.46 -0.18 0.00 0.00 0.00 0.00 23.12 22.82 2rpc s ALA 74 CO 0.11 -0.50 1.36 0.87 0.00 0.00 0.00 175.76 177.61 2rpc h LYS 75 N 2.06 -0.14 -0.35 0.00 1.79 -1.97 -2.85 116.57 115.12 2rpc h LYS 75 Ca -0.09 0.01 0.10 0.00 -2.18 0.00 0.00 60.65 58.49 2rpc h LYS 75 Cb 1.17 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.84 2rpc h LYS 75 CO 0.23 0.19 0.32 0.10 -1.08 0.00 0.00 179.45 179.21 2rpc h TYR 76 N -0.48 0.00 -0.53 -1.35 -0.00 -1.98 0.19 116.97 112.82 2rpc h TYR 76 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 58.73 58.62 2rpc h TYR 76 Cb 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.10 2rpc h TYR 76 CO 0.03 0.00 -0.05 0.87 -0.00 0.00 0.00 178.16 179.01 2rpc h LYS 77 N 0.00 0.97 0.02 0.10 1.79 -1.91 -1.47 116.57 116.06 2rpc h LYS 77 Ca 0.16 -0.33 -0.00 0.00 -2.18 0.00 0.00 60.65 58.30 2rpc h LYS 77 Cb 0.81 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 2rpc h LYS 77 CO -0.00 1.00 -0.01 1.25 -1.08 0.00 0.00 179.45 180.61 2rpc h LEU 78 N 0.84 -0.02 -1.48 2.94 5.85 -0.95 -2.87 115.31 119.62 2rpc h LEU 78 Ca 0.14 -0.74 0.14 0.00 0.84 0.00 0.00 57.88 58.27 2rpc h LEU 78 Cb 0.60 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 2rpc h LEU 78 CO 0.04 0.76 0.53 0.58 -0.34 0.00 0.00 178.44 180.00 2rpc h VAL 79 N -0.82 0.82 0.00 1.05 2.07 -1.30 0.12 116.25 118.18 2rpc h VAL 79 Ca -0.00 -0.18 -0.13 0.00 0.82 0.00 0.00 66.70 67.21 2rpc h VAL 79 Cb 0.75 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 2rpc h VAL 79 CO 0.00 0.09 -0.64 -1.13 0.02 0.00 0.00 177.57 175.92 2rpc h ASN 80 N 0.52 0.00 0.30 0.57 -1.24 -1.32 -3.27 115.58 111.13 2rpc h ASN 80 Ca 0.39 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.39 2rpc h ASN 80 Cb 0.79 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.84 2rpc h ASN 80 CO -0.15 0.64 -0.15 -0.74 -1.29 0.00 0.00 177.43 175.74 2rpc h HIS 81 N 0.00 -0.38 0.00 0.67 2.76 -0.54 -2.59 115.15 115.07 2rpc h HIS 81 Ca -0.01 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2rpc h HIS 81 Cb 1.14 0.13 0.00 0.00 1.55 0.00 0.00 27.41 30.23 2rpc h HIS 81 CO 0.00 -0.08 0.50 0.82 -1.30 0.00 0.00 177.93 177.87 2rpc h ILE 82 N -0.66 0.00 -0.30 6.26 2.04 -1.51 0.13 117.51 123.48 2rpc h ILE 82 Ca -0.04 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.90 2rpc h ILE 82 Cb 0.47 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 2rpc h ILE 82 CO 0.07 0.00 0.28 0.03 0.00 0.00 0.00 178.15 178.53 2rpc h ARG 83 N 0.00 0.00 0.00 2.37 2.47 -1.55 0.33 114.38 118.00 2rpc h ARG 83 Ca 0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 2rpc h ARG 83 Cb 1.01 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.33 2rpc h ARG 83 CO 0.00 0.00 -0.29 -0.39 0.56 0.00 0.00 179.97 179.85 2rpc h VAL 84 N 0.00 0.05 0.00 2.04 -1.51 -0.92 -3.20 116.25 112.71 2rpc h VAL 84 Ca 0.14 -1.07 0.00 0.00 -1.23 0.00 0.00 66.70 64.54 2rpc h VAL 84 Cb 0.70 1.90 0.00 0.00 -2.13 0.00 0.00 31.29 31.76 2rpc h VAL 84 CO -0.00 0.03 0.00 1.41 -1.23 0.00 0.00 177.57 177.78 2rpc n HIS 85 N -3.00 0.36 -0.04 5.19 8.25 0.11 -3.86 115.22 122.23 2rpc n HIS 85 Ca 0.03 0.12 -0.01 0.00 -0.26 0.00 0.00 57.72 57.59 2rpc n HIS 85 Cb 0.55 -0.69 -0.00 0.00 1.12 0.00 0.00 29.99 30.97 2rpc n HIS 85 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 2rpc h THR 86 N 0.00 0.00 -6.94 1.59 1.35 -1.53 -3.48 112.91 103.90 2rpc h THR 86 Ca 0.00 -0.75 -0.60 0.00 -0.55 0.00 0.00 66.41 64.52 2rpc h THR 86 Cb 0.49 0.00 -0.08 0.00 -1.73 0.00 0.00 68.15 66.83 2rpc h THR 86 CO 0.00 0.00 -0.99 0.61 -0.25 0.00 0.00 175.52 174.89 2rpc n GLY 87 N 1.78 -0.58 3.72 5.82 0.00 -1.25 -4.87 105.19 109.81 2rpc n GLY 87 Ca -0.02 0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 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 -7.33 4.62 0.07 1.61 2.12 -1.26 -5.05 118.70 113.48 2rpc s GLU 88 Ca 0.31 1.51 0.03 0.00 0.36 0.00 0.00 54.97 57.17 2rpc s GLU 88 Cb -0.17 -3.39 -0.03 0.00 0.26 0.00 0.00 34.13 30.81 2rpc s GLU 88 CO 0.97 0.07 -0.08 0.15 -0.54 0.00 0.00 175.26 175.83 2rpc s LYS 89 N 0.36 0.70 -0.02 4.30 -0.14 -1.26 -5.00 119.74 118.68 2rpc s LYS 89 Ca 0.50 -1.02 -0.25 0.00 -1.36 0.00 0.00 55.97 53.84 2rpc s LYS 89 Cb -0.24 -0.35 -0.18 0.00 -1.68 0.00 0.00 37.83 35.37 2rpc s LYS 89 CO 0.30 0.05 1.18 -1.00 -0.76 0.00 0.00 175.35 175.11 2rpc h PRO 90 N 3.85 -0.13 -2.28 -1.68 0.13 -1.88 -3.47 132.00 126.54 2rpc h PRO 90 Ca -0.36 0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.73 2rpc h PRO 90 Cb 1.19 0.03 -0.23 0.00 0.13 0.00 0.00 31.00 32.12 2rpc h PRO 90 CO 0.50 0.30 -0.08 -0.59 -0.23 0.00 0.00 178.00 177.90 2rpc s PHE 91 N -4.18 -0.80 0.00 1.56 -0.12 -1.26 -5.04 117.98 108.14 2rpc s PHE 91 Ca -0.15 1.72 0.00 0.00 -0.05 0.00 0.00 56.93 58.45 2rpc s PHE 91 Cb 0.02 0.39 0.00 0.00 -0.63 0.00 0.00 43.02 42.80 2rpc s PHE 91 CO 0.60 -0.40 0.00 -0.35 -0.05 0.00 0.00 175.22 175.02 2rpc n PRO 92 N 3.75 0.21 -3.72 1.99 -0.04 -1.26 -3.96 135.00 131.97 2rpc n PRO 92 Ca -0.19 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.91 2rpc n PRO 92 Cb 0.57 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.96 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 2.60 0.49 -3.79 0.00 -0.04 -1.26 -4.68 135.00 128.32 2rpc n PRO 94 Ca -0.17 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.94 2rpc n PRO 94 Cb 0.53 -1.34 -0.08 0.00 -0.04 0.00 0.00 33.50 32.58 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 3.43 -0.02 0.54 2.19 -1.26 -4.73 117.98 116.13 2rpc s PHE 95 Ca 0.16 0.35 -0.23 0.00 0.33 0.00 0.00 56.93 57.53 2rpc s PHE 95 Cb 0.07 -2.10 -0.17 0.00 -1.31 0.00 0.00 43.02 39.51 2rpc s PHE 95 CO 0.12 0.37 1.09 -1.00 1.83 0.00 0.00 175.22 177.63 2rpc h PRO 96 N 6.32 -0.26 -1.75 10.12 0.13 -1.84 -3.21 132.00 141.51 2rpc h PRO 96 Ca -0.44 0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 64.63 2rpc h PRO 96 Cb 1.17 0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 2rpc h PRO 96 CO 0.72 0.13 0.11 0.41 -0.23 0.00 0.00 178.00 179.13 2rpc n GLY 97 N 0.14 2.83 0.48 1.56 0.00 -1.26 -3.58 105.19 105.37 2rpc n GLY 97 Ca -0.09 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 2.17 0.48 3.86 0.00 0.00 -1.21 -4.89 105.19 105.60 2rpc n GLY 99 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.05 3.91 0.01 1.61 2.47 -1.26 -4.90 119.74 118.53 2rpc s LYS 100 Ca 0.00 0.60 -0.00 0.00 -1.56 0.00 0.00 55.97 55.00 2rpc s LYS 100 Cb 0.00 -2.41 -0.01 0.00 -1.46 0.00 0.00 37.83 33.96 2rpc s LYS 100 CO 0.00 0.07 -0.01 0.42 0.16 0.00 0.00 175.35 175.99 2rpc s ILE 101 N -2.16 0.05 0.18 5.43 1.01 -1.26 -0.50 121.20 123.95 2rpc s ILE 101 Ca 0.53 -0.38 0.07 0.00 0.00 0.00 0.00 60.65 60.87 2rpc s ILE 101 Cb -0.10 -0.12 -0.05 0.00 0.01 0.00 0.00 42.46 42.20 2rpc s ILE 101 CO 0.23 -0.21 -0.13 -0.36 0.00 0.00 0.00 174.94 174.48 2rpc s PHE 102 N -0.60 1.55 -2.79 3.97 0.40 -1.25 -5.01 117.98 114.25 2rpc s PHE 102 Ca -0.07 -0.64 0.24 0.00 -0.60 0.00 0.00 56.93 55.86 2rpc s PHE 102 Cb -0.04 -0.74 0.27 0.00 0.51 0.00 0.00 43.02 43.02 2rpc s PHE 102 CO -0.00 0.26 1.30 0.00 0.70 0.00 0.00 175.22 177.48 2rpc n ALA 103 N -0.32 2.45 -2.47 5.36 0.00 -1.26 -4.20 120.51 120.07 2rpc n ALA 103 Ca -0.09 -0.80 -0.26 0.00 0.00 0.00 0.00 53.44 52.30 2rpc n ALA 103 Cb 0.60 -0.82 -0.14 0.00 0.00 0.00 0.00 19.45 19.09 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 -1.80 1.40 0.12 0.00 1.81 -1.26 -4.83 118.95 114.38 2rpc s ARG 104 Ca 0.31 -1.02 -0.08 0.00 -1.72 0.00 0.00 55.73 53.22 2rpc s ARG 104 Cb 0.21 -1.57 -0.12 0.00 -0.45 0.00 0.00 34.95 33.02 2rpc s ARG 104 CO 0.30 0.39 1.30 1.03 -0.68 0.00 0.00 175.30 177.65 2rpc h SER 105 N 4.67 0.72 0.36 0.23 0.87 -1.99 -3.00 113.55 115.41 2rpc h SER 105 Ca -0.44 -0.53 -0.12 0.00 -1.23 0.00 0.00 61.79 59.47 2rpc h SER 105 Cb 1.16 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.89 2rpc h SER 105 CO 0.43 1.32 -0.50 1.05 -0.53 0.00 0.00 176.83 178.60 2rpc h GLU 106 N 0.36 0.17 -0.21 2.24 4.11 -1.98 -2.04 114.58 117.22 2rpc h GLU 106 Ca -0.08 -0.10 -0.03 0.00 0.07 0.00 0.00 59.36 59.22 2rpc h GLU 106 Cb 1.52 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.77 2rpc h GLU 106 CO 0.17 0.64 -0.00 -0.91 0.07 0.00 0.00 179.01 178.97 2rpc h ASN 107 N 0.14 0.37 -0.00 3.06 4.21 -1.97 -0.13 115.58 121.25 2rpc h ASN 107 Ca 0.00 -0.31 -0.00 0.00 1.21 0.00 0.00 56.30 57.20 2rpc h ASN 107 Cb 0.94 -0.10 -0.00 0.00 -1.12 0.00 0.00 38.32 38.04 2rpc h ASN 107 CO 0.07 0.59 -0.00 0.25 -1.29 0.00 0.00 177.43 177.06 2rpc h LEU 108 N 0.14 0.01 -1.14 1.61 5.85 -1.49 0.32 115.31 120.60 2rpc h LEU 108 Ca 0.06 -0.34 0.03 0.00 0.84 0.00 0.00 57.88 58.47 2rpc h LEU 108 Cb 0.40 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 2rpc h LEU 108 CO 0.01 0.34 0.58 0.07 -0.34 0.00 0.00 178.44 179.11 2rpc h LYS 109 N -0.33 1.09 0.00 1.25 2.10 -1.40 0.46 116.57 119.75 2rpc h LYS 109 Ca 0.00 -0.07 -0.16 0.00 -2.00 0.00 0.00 60.65 58.42 2rpc h LYS 109 Cb 0.34 -0.25 -0.02 0.00 -0.90 0.00 0.00 32.23 31.40 2rpc h LYS 109 CO 0.00 0.72 -0.78 0.82 -2.00 0.00 0.00 179.45 178.21 2rpc h ILE 110 N 1.12 1.43 0.00 0.07 2.04 -0.92 -3.19 117.51 118.06 2rpc h ILE 110 Ca 0.35 -2.81 -0.05 0.00 1.00 0.00 0.00 64.86 63.35 2rpc h ILE 110 Cb -0.00 2.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.64 2rpc h ILE 110 CO -0.10 0.77 -0.40 -0.74 0.00 0.00 0.00 178.15 177.68 2rpc h HIS 111 N 0.00 0.00 0.00 1.37 -0.00 0.53 -3.24 115.15 113.81 2rpc h HIS 111 Ca -0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.27 2rpc h HIS 111 Cb 1.51 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.91 2rpc h HIS 111 CO 0.00 0.22 -0.45 0.87 -0.00 0.00 0.00 177.93 178.57 2rpc h LYS 112 N 0.00 0.00 0.00 5.26 1.57 -0.09 -2.90 116.57 120.41 2rpc h LYS 112 Ca -0.01 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2rpc h LYS 112 Cb 1.18 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.49 2rpc h LYS 112 CO 0.03 0.45 -0.09 0.07 -0.57 0.00 0.00 179.45 179.34 2rpc h ARG 113 N 0.00 0.00 -0.00 3.15 0.11 -1.59 -3.08 114.38 112.97 2rpc h ARG 113 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2rpc h ARG 113 Cb 1.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.08 2rpc h ARG 113 CO 0.06 0.09 0.00 -2.37 0.10 0.00 0.00 179.97 177.85 2rpc n THR 114 N -3.13 0.00 -0.02 0.08 5.66 -1.09 -4.10 114.28 111.68 2rpc n THR 114 Ca 0.03 -0.06 -0.00 0.00 -3.05 0.00 0.00 64.05 60.97 2rpc n THR 114 Cb 0.55 -0.25 -0.00 0.00 -1.55 0.00 0.00 70.33 69.07 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 0.58 0.00 -1.40 1.09 3.86 -1.60 -3.51 115.15 114.17 2rpc h HIS 115 Ca 0.00 0.00 0.25 0.00 -1.16 0.00 0.00 60.37 59.46 2rpc h HIS 115 Cb 0.12 0.00 -0.20 0.00 1.06 0.00 0.00 27.41 28.39 2rpc h HIS 115 CO 0.00 0.00 0.83 0.99 0.86 0.00 0.00 177.93 180.61 2rpc s THR 116 N -1.21 0.00 0.02 2.45 2.01 -1.26 -5.06 115.64 112.60 2rpc s THR 116 Ca -0.01 0.00 -0.21 0.00 0.31 0.00 0.00 61.69 61.78 2rpc s THR 116 Cb 0.00 -1.00 -0.17 0.00 0.01 0.00 0.00 72.50 71.35 2rpc s THR 116 CO 0.02 0.00 1.27 1.23 -0.69 0.00 0.00 174.62 176.45 2rpc h GLY 117 N 2.03 0.38 -2.62 4.40 0.00 -1.93 -3.45 103.07 101.88 2rpc h GLY 117 Ca -0.09 -0.46 -0.49 0.00 0.00 0.00 0.00 47.33 46.29 2rpc h GLY 117 CO 0.23 0.41 -0.06 1.85 0.00 0.00 0.00 176.54 178.97 2rpc s GLU 118 N -3.98 3.57 0.34 4.80 2.12 -1.26 -5.09 118.70 119.19 2rpc s GLU 118 Ca -0.14 -0.00 -0.08 0.00 0.36 0.00 0.00 54.97 55.10 2rpc s GLU 118 Cb 0.04 -2.55 -0.06 0.00 0.26 0.00 0.00 34.13 31.83 2rpc s GLU 118 CO 0.76 0.05 0.66 0.15 -0.54 0.00 0.00 175.26 176.34 2rpc s LYS 119 N -4.17 3.74 0.13 4.30 1.02 -1.26 -5.01 119.74 118.48 2rpc s LYS 119 Ca 0.44 0.28 -0.12 0.00 0.02 0.00 0.00 55.97 56.59 2rpc s LYS 119 Cb -0.10 -2.52 -0.05 0.00 -0.52 0.00 0.00 37.83 34.63 2rpc s LYS 119 CO 0.36 0.11 1.46 -1.00 -0.92 0.00 0.00 175.35 175.37 2rpc h PRO 120 N 1.62 0.89 -4.32 -1.68 0.13 -1.92 -3.40 132.00 123.32 2rpc h PRO 120 Ca -0.47 -0.47 -0.74 0.00 -0.87 0.00 0.00 66.00 63.45 2rpc h PRO 120 Cb 1.19 0.02 -0.22 0.00 0.13 0.00 0.00 31.00 32.11 2rpc h PRO 120 CO 0.65 1.12 -0.26 -0.06 -0.23 0.00 0.00 178.00 179.22 2rpc s PHE 121 N -4.39 3.22 -0.15 1.56 0.40 -0.28 -5.02 117.98 113.32 2rpc s PHE 121 Ca -0.11 -0.99 -0.05 0.00 -0.60 0.00 0.00 56.93 55.18 2rpc s PHE 121 Cb 0.11 -3.39 -0.03 0.00 0.51 0.00 0.00 43.02 40.22 2rpc s PHE 121 CO 0.87 -0.89 0.01 0.21 0.70 0.00 0.00 175.22 176.12 2rpc s LYS 122 N 1.75 3.64 -0.18 0.44 2.20 -1.26 0.19 119.74 126.51 2rpc s LYS 122 Ca 0.05 -0.43 -0.39 0.00 -0.36 0.00 0.00 55.97 54.84 2rpc s LYS 122 Cb -0.25 -3.00 -0.18 0.00 -1.51 0.00 0.00 37.83 32.88 2rpc s LYS 122 CO 0.06 0.36 1.18 0.00 -0.36 0.00 0.00 175.35 176.59 2rpc n GLU 124 N 2.28 0.09 -2.24 0.00 0.28 -1.26 -4.73 120.64 115.05 2rpc n GLU 124 Ca 0.22 0.23 -0.43 0.00 -0.16 0.00 0.00 57.16 57.03 2rpc n GLU 124 Cb 0.02 -1.64 -0.02 0.00 1.43 0.00 0.00 31.44 31.23 2rpc n GLU 124 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 2rpc s PHE 125 N -3.09 2.45 0.54 -1.84 5.36 -1.26 -4.98 117.98 115.15 2rpc s PHE 125 Ca 0.08 0.66 -0.21 0.00 -0.96 0.00 0.00 56.93 56.51 2rpc s PHE 125 Cb 0.12 -3.72 -0.05 0.00 -0.34 0.00 0.00 43.02 39.03 2rpc s PHE 125 CO 0.40 -2.60 1.23 -2.00 -1.46 0.00 0.00 175.22 170.79 2rpc s GLU 126 N 3.84 3.27 0.00 10.12 2.12 -1.26 -2.52 118.70 134.28 2rpc s GLU 126 Ca 0.63 1.90 0.00 0.00 0.36 0.00 0.00 54.97 57.86 2rpc s GLU 126 Cb -0.26 -2.16 0.00 0.00 0.26 0.00 0.00 34.13 31.97 2rpc s GLU 126 CO 0.22 -0.98 0.00 0.41 -0.54 0.00 0.00 175.26 174.36 2rpc n GLY 127 N 0.52 0.28 3.69 -1.50 0.00 -1.26 -4.99 105.19 101.93 2rpc n GLY 127 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.93 4.57 0.29 0.00 1.01 -1.26 -4.94 116.67 114.41 2rpc s ASP 129 Ca 0.23 -1.70 -0.04 0.00 0.71 0.00 0.00 52.55 51.75 2rpc s ASP 129 Cb -0.12 -1.57 0.02 0.00 1.01 0.00 0.00 42.92 42.26 2rpc s ASP 129 CO 0.14 -0.27 0.44 0.54 0.21 0.00 0.00 175.17 176.24 2rpc n ARG 130 N 4.36 0.64 -3.66 8.23 5.12 -1.26 -5.08 116.66 125.01 2rpc n ARG 130 Ca -0.07 -2.16 -0.12 0.00 -1.93 0.00 0.00 57.85 53.57 2rpc n ARG 130 Cb 0.42 2.19 -0.08 0.00 -1.16 0.00 0.00 32.46 33.83 2rpc n ARG 130 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 2rpc s ARG 131 N -2.52 0.68 0.10 5.56 1.70 -1.26 -4.48 118.95 118.72 2rpc s ARG 131 Ca 0.21 0.94 -0.09 0.00 -0.47 0.00 0.00 55.73 56.32 2rpc s ARG 131 Cb -0.01 0.26 -0.00 0.00 -0.57 0.00 0.00 34.95 34.62 2rpc s ARG 131 CO 0.15 -0.11 0.21 -0.06 -1.08 0.00 0.00 175.30 174.42 2rpc s PHE 132 N 0.77 0.16 -0.07 5.89 0.08 0.13 -4.98 117.98 119.95 2rpc s PHE 132 Ca -0.04 -0.57 0.04 0.00 0.12 0.00 0.00 56.93 56.48 2rpc s PHE 132 Cb -0.05 -0.04 -0.06 0.00 -0.57 0.00 0.00 43.02 42.30 2rpc s PHE 132 CO -0.06 -0.57 0.12 0.00 -0.10 0.00 0.00 175.22 174.61 2rpc n ALA 133 N -0.09 2.28 -3.49 5.36 0.00 -1.26 -1.13 120.51 122.18 2rpc n ALA 133 Ca -0.14 -0.10 -0.25 0.00 0.00 0.00 0.00 53.44 52.94 2rpc n ALA 133 Cb 0.63 -0.14 -0.17 0.00 0.00 0.00 0.00 19.45 19.77 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 -2.08 1.91 0.65 0.00 2.20 -1.26 -4.43 114.94 111.94 2rpc s ASN 134 Ca -0.00 -0.32 0.20 0.00 -0.94 0.00 0.00 52.86 51.79 2rpc s ASN 134 Cb 0.03 -0.88 1.05 0.00 -2.00 0.00 0.00 41.25 39.45 2rpc s ASN 134 CO 0.17 0.03 1.58 -1.28 -2.94 0.00 0.00 177.10 174.66 2rpc h SER 135 N 7.07 0.00 0.25 3.54 0.87 -1.97 0.46 113.55 123.77 2rpc h SER 135 Ca -0.30 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.25 2rpc h SER 135 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2rpc h SER 135 CO 0.47 0.00 -0.12 0.28 -0.53 0.00 0.00 176.83 176.93 2rpc h SER 136 N 0.00 -0.28 -0.06 6.23 0.02 -1.98 -2.14 113.55 115.33 2rpc h SER 136 Ca 0.04 -0.21 0.04 0.00 -0.84 0.00 0.00 61.79 60.82 2rpc h SER 136 Cb 1.26 0.07 -0.05 0.00 0.14 0.00 0.00 62.40 63.83 2rpc h SER 136 CO -0.00 0.08 -0.22 0.44 -1.14 0.00 0.00 176.83 175.99 2rpc h ASP 137 N -0.68 -0.67 0.04 3.07 5.19 -1.32 -0.80 116.42 121.24 2rpc h ASP 137 Ca -0.03 0.10 0.03 0.00 -0.62 0.00 0.00 57.03 56.50 2rpc h ASP 137 Cb 0.47 0.29 -0.05 0.00 0.18 0.00 0.00 39.33 40.22 2rpc h ASP 137 CO 0.06 -0.28 -0.41 -0.09 -3.12 0.00 0.00 179.24 175.40 2rpc h ARG 138 N -0.32 -0.57 -0.11 3.56 2.43 -1.59 0.16 114.38 117.94 2rpc h ARG 138 Ca 0.08 0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.32 2rpc h ARG 138 Cb 0.43 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2rpc h ARG 138 CO -0.24 -0.38 0.22 -0.22 -1.51 0.00 0.00 179.97 177.84 2rpc h LYS 139 N -0.59 0.00 0.00 0.20 1.63 -1.13 0.37 116.57 117.06 2rpc h LYS 139 Ca 0.04 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.80 2rpc h LYS 139 Cb 0.65 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.28 2rpc h LYS 139 CO -0.28 0.00 -0.55 0.87 -3.45 0.00 0.00 179.45 176.04 2rpc h LYS 140 N 0.00 0.00 -0.01 1.90 1.57 0.73 -3.22 116.57 117.54 2rpc h LYS 140 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2rpc h LYS 140 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2rpc h LYS 140 CO -0.00 0.12 -0.04 1.58 -0.57 0.00 0.00 179.45 180.54 2rpc n HIS 141 N -2.97 0.00 0.09 -1.35 -0.00 0.13 -3.42 115.22 107.71 2rpc n HIS 141 Ca 0.01 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.24 2rpc n HIS 141 Cb 0.60 -0.06 -0.02 0.00 -0.12 0.00 0.00 29.99 30.40 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 0.93 0.00 -0.01 1.57 2.86 -1.53 -3.32 114.93 115.43 2rpc h MET 142 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2rpc h MET 142 Cb 0.28 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 2rpc h MET 142 CO 0.00 0.20 0.26 1.12 1.06 0.00 0.00 176.91 179.54 2rpc h HIS 143 N 0.00 0.00 0.00 -0.22 -0.00 -1.73 0.51 115.15 113.72 2rpc h HIS 143 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.30 2rpc h HIS 143 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.71 2rpc h HIS 143 CO 0.00 0.00 -1.25 1.55 -0.00 0.00 0.00 177.93 178.23 2rpc n VAL 144 N -2.95 0.00 0.08 6.12 3.14 -1.25 -4.28 118.33 119.19 2rpc n VAL 144 Ca -0.02 -0.14 -0.10 0.00 -2.96 0.00 0.00 64.34 61.12 2rpc n VAL 144 Cb 0.31 0.74 -0.12 0.00 -1.06 0.00 0.00 33.84 33.70 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 0.19 -1.30 1.45 3.86 -0.13 -3.31 115.15 115.92 2rpc h HIS 145 Ca 0.00 -0.14 0.40 0.00 -1.16 0.00 0.00 60.37 59.47 2rpc h HIS 145 Cb 0.62 -0.01 -0.08 0.00 1.06 0.00 0.00 27.41 29.01 2rpc h HIS 145 CO 0.00 1.10 0.90 -2.37 0.86 0.00 0.00 177.93 178.43 2rpc n THR 146 N -3.43 -0.07 -3.97 2.45 5.66 -0.97 -4.26 114.28 109.68 2rpc n THR 146 Ca -0.03 1.19 -0.23 0.00 -3.05 0.00 0.00 64.05 61.93 2rpc n THR 146 Cb 0.97 -1.98 -0.06 0.00 -1.55 0.00 0.00 70.33 67.72 2rpc n THR 146 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2rpc s SER 147 N -4.07 4.73 0.45 1.09 0.01 -1.25 -5.15 113.70 109.51 2rpc s SER 147 Ca -0.04 -0.83 0.03 0.00 1.31 0.00 0.00 55.95 56.41 2rpc s SER 147 Cb 0.21 -0.64 -0.03 0.00 0.21 0.00 0.00 66.02 65.77 2rpc s SER 147 CO 0.64 -0.45 0.04 -1.81 0.41 0.00 0.00 173.24 172.07 2rpc s ASP 148 N -3.94 3.61 -0.08 2.44 1.01 -1.26 -5.04 116.67 113.42 2rpc s ASP 148 Ca 0.41 -1.58 0.02 0.00 0.71 0.00 0.00 52.55 52.10 2rpc s ASP 148 Cb -0.01 0.30 0.02 0.00 1.01 0.00 0.00 42.92 44.24 2rpc s ASP 148 CO 0.24 -0.78 -0.12 -0.75 0.21 0.00 0.00 175.17 173.98 2rpc s LYS 149 N -3.81 1.73 -0.37 8.23 2.20 -1.26 -5.11 119.74 121.35 2rpc s LYS 149 Ca 0.18 -0.40 -0.05 0.00 -0.36 0.00 0.00 55.97 55.34 2rpc s LYS 149 Cb 0.04 -1.51 0.07 0.00 -1.51 0.00 0.00 37.83 34.93 2rpc s LYS 149 CO 0.09 -0.05 0.15 0.45 -0.36 0.00 0.00 175.35 175.64 2rpc s SER 150 N 0.92 5.28 0.00 1.43 0.15 -1.26 -4.86 113.70 115.37 2rpc s SER 150 Ca -0.09 -1.55 0.00 0.00 0.70 0.00 0.00 55.95 55.00 2rpc s SER 150 Cb -0.15 -1.85 0.00 0.00 -1.71 0.00 0.00 66.02 62.31 2rpc s SER 150 CO 0.01 -0.44 0.00 0.61 1.20 0.00 0.00 173.24 174.62 2rpc n GLY 151 N 4.73 -2.26 3.59 9.45 0.00 -1.26 -5.10 105.19 114.33 2rpc n GLY 151 Ca -0.09 0.80 -0.42 0.00 0.00 0.00 0.00 46.02 46.32 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 0.00 3.21 0.08 1.61 0.04 -1.26 -4.91 135.00 133.77 2rpc s PRO 152 Ca 0.00 1.13 -0.32 0.00 0.04 0.00 0.00 61.00 61.85 2rpc s PRO 152 Cb 0.00 -4.21 -0.15 0.00 0.04 0.00 0.00 34.50 30.18 2rpc s PRO 152 CO 0.00 -2.02 1.51 1.03 0.04 0.00 0.00 177.00 177.56 2rpc h SER 153 N 12.97 -1.35 -1.69 6.66 0.87 -1.99 -3.33 113.55 125.68 2rpc h SER 153 Ca -0.31 0.12 -0.57 0.00 -1.23 0.00 0.00 61.79 59.81 2rpc h SER 153 Cb 1.15 0.47 -0.09 0.00 -0.44 0.00 0.00 62.40 63.49 2rpc h SER 153 CO 1.09 -0.57 1.29 -0.44 -0.53 0.00 0.00 176.83 177.67 2rpc s SER 154 N -4.28 6.33 0.00 6.23 0.01 -1.26 -5.22 113.70 115.51 2rpc s SER 154 Ca -0.16 -0.98 0.00 0.00 1.31 0.00 0.00 55.95 56.13 2rpc s SER 154 Cb 0.04 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.71 2rpc s SER 154 CO 0.55 -1.67 0.13 0.61 0.41 0.00 0.00 173.24 173.27