#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 1.65 -0.30 1.61 1.04 -1.26 -5.11 113.70 111.33 2rpc s SER 2 Ca 0.00 -0.17 -0.06 0.00 0.48 0.00 0.00 55.95 56.20 2rpc s SER 2 Cb 0.00 -0.30 0.16 0.00 0.10 0.00 0.00 66.02 65.98 2rpc s SER 2 CO 0.00 -0.25 0.64 -0.94 0.98 0.00 0.00 173.24 173.67 2rpc s SER 3 N 2.07 -1.24 0.13 7.02 1.04 -1.26 -5.17 113.70 116.29 2rpc s SER 3 Ca 0.04 1.16 0.01 0.00 0.48 0.00 0.00 55.95 57.64 2rpc s SER 3 Cb -0.13 2.19 -0.00 0.00 0.10 0.00 0.00 66.02 68.18 2rpc s SER 3 CO -0.05 -0.23 0.05 0.61 0.98 0.00 0.00 173.24 174.59 2rpc n GLY 4 N 5.43 3.83 3.52 7.32 0.00 -1.26 -5.11 105.19 118.91 2rpc n GLY 4 Ca -0.06 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.54 2rpc n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2rpc n SER 5 N -1.87 0.10 -3.55 1.61 2.88 -1.26 -4.99 113.62 106.54 2rpc n SER 5 Ca -0.02 1.03 -0.16 0.00 -1.33 0.00 0.00 58.87 58.39 2rpc n SER 5 Cb 0.20 -1.19 -0.06 0.00 -0.75 0.00 0.00 64.21 62.41 2rpc n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2rpc s SER 6 N -0.81 -0.63 -0.45 -3.46 0.15 -1.26 -5.13 113.70 102.12 2rpc s SER 6 Ca 0.62 0.84 0.02 0.00 0.70 0.00 0.00 55.95 58.13 2rpc s SER 6 Cb -0.66 0.72 0.14 0.00 -1.71 0.00 0.00 66.02 64.51 2rpc s SER 6 CO 0.58 -0.48 0.25 -0.83 1.20 0.00 0.00 173.24 173.96 2rpc s GLY 7 N -0.79 1.69 0.10 9.45 0.00 -1.26 -5.11 107.32 111.40 2rpc s GLY 7 Ca -0.07 -2.63 -0.10 0.00 0.00 0.00 0.00 44.72 41.92 2rpc s GLY 7 CO 0.06 1.55 0.42 1.20 0.00 0.00 0.00 173.10 176.34 2rpc s GLN 8 N 0.28 3.77 0.00 2.90 -1.52 -1.26 -5.10 119.66 118.73 2rpc s GLN 8 Ca 0.19 0.19 0.00 0.00 -1.95 0.00 0.00 55.36 53.79 2rpc s GLN 8 Cb -0.22 -2.95 0.00 0.00 -0.22 0.00 0.00 33.01 29.62 2rpc s GLN 8 CO -0.01 0.53 0.00 -0.35 -0.25 0.00 0.00 175.29 175.20 2rpc n PRO 9 N 0.74 0.17 -3.32 2.91 -0.04 -1.26 -5.00 135.00 129.21 2rpc n PRO 9 Ca -0.07 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.02 2rpc n PRO 9 Cb 0.52 0.00 -0.06 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 -0.41 5.19 0.00 0.52 1.01 -1.26 -5.06 121.20 121.19 2rpc s ILE 10 Ca 0.00 0.93 -0.27 0.00 0.00 0.00 0.00 60.65 61.31 2rpc s ILE 10 Cb 0.00 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 2rpc s ILE 10 CO 0.00 0.31 0.85 -0.54 0.00 0.00 0.00 174.94 175.56 2rpc s LYS 11 N 0.73 4.52 0.21 2.79 -0.14 -1.26 -5.04 119.74 121.55 2rpc s LYS 11 Ca 0.25 1.18 -0.20 0.00 -1.36 0.00 0.00 55.97 55.84 2rpc s LYS 11 Cb -0.15 -3.43 -0.08 0.00 -1.68 0.00 0.00 37.83 32.49 2rpc s LYS 11 CO 0.10 0.08 0.72 1.14 -0.76 0.00 0.00 175.35 176.63 2rpc s GLN 12 N 0.62 4.27 0.14 1.68 0.00 -1.23 -5.03 119.66 120.11 2rpc s GLN 12 Ca 0.44 0.88 -0.14 0.00 -0.00 0.00 0.00 55.36 56.55 2rpc s GLN 12 Cb -0.20 -2.94 -0.07 0.00 0.00 0.00 0.00 33.01 29.80 2rpc s GLN 12 CO 0.24 0.43 0.53 -1.83 0.00 0.00 0.00 175.29 174.66 2rpc s GLU 13 N -1.85 3.94 0.36 9.60 -1.05 -1.26 -4.24 118.70 124.21 2rpc s GLU 13 Ca 0.41 0.44 0.09 0.00 -0.15 0.00 0.00 54.97 55.76 2rpc s GLU 13 Cb -0.17 -2.94 -0.07 0.00 -0.44 0.00 0.00 34.13 30.51 2rpc s GLU 13 CO 0.21 0.49 -0.06 -0.51 0.95 0.00 0.00 175.26 176.34 2rpc s LEU 14 N -1.96 2.77 -0.03 1.83 1.43 -1.18 -4.99 118.68 116.55 2rpc s LEU 14 Ca 0.37 -1.25 -0.00 0.00 -1.03 0.00 0.00 54.13 52.22 2rpc s LEU 14 Cb -0.15 -0.95 0.03 0.00 0.03 0.00 0.00 46.19 45.15 2rpc s LEU 14 CO 0.19 -0.29 0.01 -0.94 0.23 0.00 0.00 176.35 175.56 2rpc s SER 15 N -3.64 0.50 -0.51 2.29 1.04 -1.26 -3.76 113.70 108.37 2rpc s SER 15 Ca 0.33 -0.00 -0.02 0.00 0.48 0.00 0.00 55.95 56.74 2rpc s SER 15 Cb 0.05 -0.19 0.13 0.00 0.10 0.00 0.00 66.02 66.11 2rpc s SER 15 CO 0.17 -0.13 0.30 0.00 0.98 0.00 0.00 173.24 174.56 2rpc s LYS 17 N 0.49 3.14 -0.28 0.00 -0.14 -1.26 -4.22 119.74 117.47 2rpc s LYS 17 Ca 0.13 -1.04 -0.07 0.00 -1.36 0.00 0.00 55.97 53.62 2rpc s LYS 17 Cb -0.22 -4.31 -0.00 0.00 -1.68 0.00 0.00 37.83 31.62 2rpc s LYS 17 CO -0.04 -1.75 0.09 -0.46 -0.76 0.00 0.00 175.35 172.43 2rpc s TRP 18 N 3.61 3.13 -0.36 3.18 -0.11 -1.26 -3.13 118.94 123.99 2rpc s TRP 18 Ca 0.21 -0.78 -0.03 0.00 1.22 0.00 0.00 56.10 56.71 2rpc s TRP 18 Cb -0.17 -2.26 0.08 0.00 -1.50 0.00 0.00 33.47 29.61 2rpc s TRP 18 CO 0.07 -0.51 0.12 0.42 -4.62 0.00 0.00 176.95 172.43 2rpc s ILE 19 N 1.55 3.30 -0.17 5.86 1.01 0.54 -0.41 121.20 132.87 2rpc s ILE 19 Ca 0.04 -1.64 -0.27 0.00 0.00 0.00 0.00 60.65 58.78 2rpc s ILE 19 Cb -0.17 -3.06 -0.01 0.00 0.01 0.00 0.00 42.46 39.24 2rpc s ILE 19 CO 0.03 -0.39 0.91 -0.62 0.00 0.00 0.00 174.94 174.87 2rpc s ASP 20 N 1.56 7.04 0.51 3.58 2.15 -1.26 -4.50 116.67 125.75 2rpc s ASP 20 Ca 0.02 1.28 0.25 0.00 0.43 0.00 0.00 52.55 54.53 2rpc s ASP 20 Cb -0.21 -2.49 1.35 0.00 -0.30 0.00 0.00 42.92 41.27 2rpc s ASP 20 CO -0.02 -0.47 2.05 -0.33 -0.17 0.00 0.00 175.17 176.23 2rpc h GLU 21 N 7.33 0.00 -0.82 4.34 4.39 -1.98 -2.30 114.58 125.55 2rpc h GLU 21 Ca -0.27 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 58.94 2rpc h GLU 21 Cb 1.12 0.00 -0.27 0.00 -0.10 0.00 0.00 28.75 29.50 2rpc h GLU 21 CO 0.87 0.14 0.39 0.00 -1.16 0.00 0.00 179.01 179.25 2rpc n ALA 22 N -2.32 5.45 -2.52 3.43 0.00 -1.26 -4.99 120.51 118.30 2rpc n ALA 22 Ca -0.02 -3.21 -0.42 0.00 0.00 0.00 0.00 53.44 49.79 2rpc n ALA 22 Cb 0.25 -1.26 -0.03 0.00 0.00 0.00 0.00 19.45 18.41 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 -3.47 4.47 0.00 0.00 -2.07 -0.87 -4.90 119.66 112.82 2rpc s GLN 23 Ca 0.56 1.65 0.09 0.00 -1.82 0.00 0.00 55.36 55.83 2rpc s GLN 23 Cb 0.46 -3.40 0.52 0.00 -1.09 0.00 0.00 33.01 29.51 2rpc s GLN 23 CO 0.04 -0.20 1.19 -0.11 -1.32 0.00 0.00 175.29 174.89 2rpc n LEU 24 N 4.01 0.00 -4.64 2.60 7.94 -1.26 -4.76 117.00 120.89 2rpc n LEU 24 Ca 0.08 0.00 -0.27 0.00 -1.11 0.00 0.00 56.01 54.71 2rpc n LEU 24 Cb 0.48 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.34 2rpc n LEU 24 CO 0.54 0.00 -0.36 -0.55 -1.11 0.00 0.00 177.39 175.91 2rpc s SER 25 N -1.44 4.65 -0.04 1.96 0.15 -1.26 -5.14 113.70 112.58 2rpc s SER 25 Ca 0.13 -0.41 -0.16 0.00 0.70 0.00 0.00 55.95 56.21 2rpc s SER 25 Cb 0.06 -0.95 0.03 0.00 -1.71 0.00 0.00 66.02 63.45 2rpc s SER 25 CO 0.10 0.11 0.36 -0.13 1.20 0.00 0.00 173.24 174.89 2rpc s ARG 26 N -2.76 0.68 1.01 5.44 1.81 -1.26 -4.31 118.95 119.55 2rpc s ARG 26 Ca 0.26 -0.03 -0.12 0.00 -1.72 0.00 0.00 55.73 54.12 2rpc s ARG 26 Cb -0.10 0.31 0.19 0.00 -0.45 0.00 0.00 34.95 34.90 2rpc s ARG 26 CO 0.17 -0.18 1.09 -1.25 -0.68 0.00 0.00 175.30 174.46 2rpc s PRO 27 N -1.08 0.36 -0.47 3.54 0.04 -1.26 -5.00 135.00 131.14 2rpc s PRO 27 Ca -0.11 0.50 -0.37 0.00 0.04 0.00 0.00 61.00 61.05 2rpc s PRO 27 Cb -0.04 -1.73 -0.15 0.00 0.04 0.00 0.00 34.50 32.62 2rpc s PRO 27 CO 0.04 -2.77 2.23 1.63 0.04 0.00 0.00 177.00 178.17 2rpc n LYS 28 N -4.20 0.61 -4.05 4.56 4.76 -1.26 -4.92 118.16 113.66 2rpc n LYS 28 Ca 0.05 0.15 -0.28 0.00 -2.87 0.00 0.00 58.31 55.36 2rpc n LYS 28 Cb 0.57 -2.10 -0.06 0.00 -1.84 0.00 0.00 35.03 31.61 2rpc n LYS 28 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2rpc s LYS 29 N 6.51 2.94 0.00 1.97 -2.85 -1.26 -5.10 119.74 121.95 2rpc s LYS 29 Ca 1.15 -0.76 -0.01 0.00 -1.00 0.00 0.00 55.97 55.34 2rpc s LYS 29 Cb -1.08 -2.71 -0.04 0.00 -2.06 0.00 0.00 37.83 31.94 2rpc s LYS 29 CO 0.54 0.52 0.14 -1.54 0.10 0.00 0.00 175.35 175.11 2rpc s SER 30 N -2.79 6.05 -0.70 0.03 1.04 -1.26 -4.50 113.70 111.57 2rpc s SER 30 Ca 0.31 0.24 -0.29 0.00 0.48 0.00 0.00 55.95 56.68 2rpc s SER 30 Cb -0.11 -1.82 -0.14 0.00 0.10 0.00 0.00 66.02 64.04 2rpc s SER 30 CO 0.23 0.25 2.52 0.00 0.98 0.00 0.00 173.24 177.22 2rpc s ASP 32 N 10.26 6.55 0.05 0.00 2.15 -1.26 -4.32 116.67 130.10 2rpc s ASP 32 Ca 1.16 0.69 -0.28 0.00 0.43 0.00 0.00 52.55 54.55 2rpc s ASP 32 Cb -0.74 -2.55 0.09 0.00 -0.30 0.00 0.00 42.92 39.43 2rpc s ASP 32 CO 0.39 -1.28 1.02 -0.60 -0.17 0.00 0.00 175.17 174.53 2rpc s ARG 33 N 4.56 0.89 0.22 4.34 3.52 -1.26 -5.11 118.95 126.11 2rpc s ARG 33 Ca 0.53 -0.44 -0.07 0.00 -0.13 0.00 0.00 55.73 55.62 2rpc s ARG 33 Cb -0.10 0.33 -0.02 0.00 -1.56 0.00 0.00 34.95 33.59 2rpc s ARG 33 CO 0.30 -0.40 0.30 0.95 -0.81 0.00 0.00 175.30 175.64 2rpc s THR 34 N -3.02 0.00 0.21 4.11 -4.23 -1.26 -4.10 115.64 107.35 2rpc s THR 34 Ca 0.10 -1.71 -0.11 0.00 -1.18 0.00 0.00 61.69 58.80 2rpc s THR 34 Cb -0.00 -2.34 -0.01 0.00 1.34 0.00 0.00 72.50 71.50 2rpc s THR 34 CO -0.02 -0.01 0.39 -0.36 -0.54 0.00 0.00 174.62 174.07 2rpc s PHE 35 N -4.09 0.39 -0.26 3.99 0.40 -1.25 -4.99 117.98 112.18 2rpc s PHE 35 Ca 0.30 -0.74 -0.00 0.00 -0.60 0.00 0.00 56.93 55.89 2rpc s PHE 35 Cb 0.03 0.07 -0.17 0.00 0.51 0.00 0.00 43.02 43.46 2rpc s PHE 35 CO 0.10 -0.87 -0.23 -1.13 0.70 0.00 0.00 175.22 173.80 2rpc n SER 36 N -0.32 1.98 -4.53 1.36 3.41 -1.26 -3.08 113.62 111.19 2rpc n SER 36 Ca -0.04 -0.07 -0.25 0.00 -0.26 0.00 0.00 58.87 58.24 2rpc n SER 36 Cb 0.63 -0.47 -0.10 0.00 -0.26 0.00 0.00 64.21 64.00 2rpc n SER 36 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2rpc s THR 37 N -2.52 2.27 0.07 6.66 -4.23 -1.26 -3.50 115.64 113.13 2rpc s THR 37 Ca -0.35 -2.24 -0.22 0.00 -1.18 0.00 0.00 61.69 57.70 2rpc s THR 37 Cb 0.10 -2.58 -0.13 0.00 1.34 0.00 0.00 72.50 71.23 2rpc s THR 37 CO 0.59 -0.24 1.58 -0.03 -0.54 0.00 0.00 174.62 175.98 2rpc h MET 38 N 2.08 0.17 -0.98 3.99 4.05 -1.95 -2.81 114.93 119.47 2rpc h MET 38 Ca -0.42 -0.04 0.18 0.00 -0.28 0.00 0.00 59.70 59.15 2rpc h MET 38 Cb 1.25 -0.02 -0.09 0.00 -0.80 0.00 0.00 31.60 31.93 2rpc h MET 38 CO 0.68 0.31 0.61 0.45 0.23 0.00 0.00 176.91 179.20 2rpc h HIS 39 N -0.01 0.94 -0.50 1.39 3.86 -1.99 0.20 115.15 119.05 2rpc h HIS 39 Ca 0.04 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.24 2rpc h HIS 39 Cb 0.21 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.37 2rpc h HIS 39 CO -0.00 0.24 0.17 0.93 0.86 0.00 0.00 177.93 180.13 2rpc h GLU 40 N 0.70 0.72 -0.00 2.45 5.08 -1.92 -2.16 114.58 119.46 2rpc h GLU 40 Ca 0.54 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.78 2rpc h GLU 40 Cb 0.92 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2rpc h GLU 40 CO -0.31 0.62 -0.01 1.25 -1.00 0.00 0.00 179.01 179.56 2rpc h LEU 41 N 0.71 0.01 -0.10 1.33 5.85 -0.56 -3.22 115.31 119.32 2rpc h LEU 41 Ca 0.17 -0.75 0.04 0.00 0.84 0.00 0.00 57.88 58.18 2rpc h LEU 41 Cb 0.19 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 2rpc h LEU 41 CO -0.01 0.75 -0.43 0.58 -0.34 0.00 0.00 178.44 178.99 2rpc h VAL 42 N -0.74 0.13 -0.73 1.05 2.07 -0.96 0.29 116.25 117.35 2rpc h VAL 42 Ca -0.00 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.73 2rpc h VAL 42 Cb 0.75 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 2rpc h VAL 42 CO 0.00 0.00 0.64 0.74 0.02 0.00 0.00 177.57 178.98 2rpc h THR 43 N -0.52 0.39 0.00 2.57 2.02 -1.52 0.30 112.91 116.16 2rpc h THR 43 Ca 0.07 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.25 2rpc h THR 43 Cb 0.64 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 2rpc h THR 43 CO -0.38 0.00 -0.11 -0.74 0.37 0.00 0.00 175.52 174.66 2rpc h HIS 44 N 0.00 0.00 -0.10 3.16 -0.00 -0.74 -0.49 115.15 116.98 2rpc h HIS 44 Ca 0.35 0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.75 2rpc h HIS 44 Cb 1.63 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 29.04 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 -0.13 2.26 116.25 125.12 2rpc h VAL 45 Ca 0.00 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.41 2rpc h VAL 45 Cb 0.11 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2rpc h VAL 45 CO 0.00 0.00 -1.04 0.41 0.02 0.00 0.00 177.57 176.96 2rpc n THR 46 N -3.16 1.48 -0.10 2.57 -1.04 0.10 -1.79 114.28 112.34 2rpc n THR 46 Ca 0.00 0.07 -0.21 0.00 -2.04 0.00 0.00 64.05 61.88 2rpc n THR 46 Cb 0.39 -2.24 -0.12 0.00 -1.82 0.00 0.00 70.33 66.55 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 -0.72 2.01 114.93 115.27 2rpc h MET 47 Ca -0.17 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 2rpc h MET 47 Cb 0.93 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.60 2rpc h MET 47 CO -0.11 1.00 0.00 0.39 1.06 0.00 0.00 176.91 179.26 2rpc n GLU 48 N -4.45 0.53 0.00 1.72 -0.58 0.73 -2.31 120.64 116.28 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 0.65 -1.33 0.00 0.00 -0.57 0.00 0.00 31.44 30.19 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 0.85 -0.32 8.25 0.85 -4.81 115.22 119.02 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 0.31 0.43 0.00 1.12 0.00 0.00 29.99 31.89 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 -1.94 0.28 -4.79 1.59 0.31 0.30 -4.95 118.33 109.13 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 -0.01 0.63 0.00 2.92 0.00 0.66 -4.83 105.19 104.56 2rpc n GLY 51 Ca 0.10 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 5.87 0.07 -0.02 0.00 -1.26 -3.49 105.19 106.36 2rpc n GLY 52 Ca 0.00 -2.05 0.10 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.03 0.11 0.07 1.61 -0.04 -1.26 -2.14 135.00 133.31 2rpc n PRO 53 Ca 0.00 0.35 0.13 0.00 -0.04 0.00 0.00 63.50 63.94 2rpc n PRO 53 Cb 0.00 -1.70 0.44 0.00 -0.04 0.00 0.00 33.50 32.20 2rpc n PRO 53 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2rpc n GLU 54 N -1.90 0.18 -2.44 0.54 2.13 -1.26 -4.84 120.64 113.05 2rpc n GLU 54 Ca 0.03 0.13 -0.39 0.00 0.66 0.00 0.00 57.16 57.59 2rpc n GLU 54 Cb 0.20 -1.70 -0.04 0.00 0.27 0.00 0.00 31.44 30.18 2rpc n GLU 54 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2rpc s GLN 55 N -3.07 4.43 0.00 5.31 -1.52 -0.91 -5.01 119.66 118.89 2rpc s GLN 55 Ca 0.11 1.78 0.00 0.00 -1.95 0.00 0.00 55.36 55.30 2rpc s GLN 55 Cb 0.15 -2.97 0.00 0.00 -0.22 0.00 0.00 33.01 29.97 2rpc s GLN 55 CO 0.59 0.03 0.00 -1.71 -0.25 0.00 0.00 175.29 173.95 2rpc n ASN 56 N 0.73 0.00 -4.57 5.90 5.15 -1.26 -4.82 115.26 116.39 2rpc n ASN 56 Ca 0.01 0.13 -0.43 0.00 -0.60 0.00 0.00 54.58 53.69 2rpc n ASN 56 Cb 0.46 -0.17 -0.05 0.00 -0.53 0.00 0.00 39.78 39.49 2rpc n ASN 56 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2rpc s ASN 57 N -1.73 6.49 -0.47 1.20 4.22 -1.26 -5.01 114.94 118.38 2rpc s ASN 57 Ca 0.00 0.15 -0.16 0.00 -2.14 0.00 0.00 52.86 50.71 2rpc s ASN 57 Cb 0.00 -2.40 0.07 0.00 1.28 0.00 0.00 41.25 40.19 2rpc s ASN 57 CO 0.00 -0.85 0.39 -1.00 -2.04 0.00 0.00 177.10 173.60 2rpc s HIS 58 N 3.27 3.24 -0.01 1.54 0.09 -1.26 -5.04 115.29 117.12 2rpc s HIS 58 Ca 0.32 -0.87 0.01 0.00 -0.00 0.00 0.00 55.06 54.52 2rpc s HIS 58 Cb -0.12 -3.12 0.00 0.00 -0.00 0.00 0.00 32.58 29.34 2rpc s HIS 58 CO 0.20 -0.78 -0.04 0.08 -0.00 0.00 0.00 174.74 174.20 2rpc s VAL 59 N 1.68 0.36 -0.27 -0.90 1.01 -1.26 -4.56 120.40 116.46 2rpc s VAL 59 Ca 0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 61.98 61.82 2rpc s VAL 59 Cb -0.23 -0.32 0.02 0.00 0.00 0.00 0.00 36.38 35.84 2rpc s VAL 59 CO 0.07 0.11 0.01 0.00 0.00 0.00 0.00 175.10 175.30 2rpc s TYR 61 N 1.41 3.36 0.15 0.00 1.51 -1.26 -4.41 117.35 118.11 2rpc s TYR 61 Ca 0.01 -1.44 -0.13 0.00 -1.01 0.00 0.00 57.07 54.50 2rpc s TYR 61 Cb -0.17 -3.84 -0.07 0.00 -0.11 0.00 0.00 41.96 37.77 2rpc s TYR 61 CO -0.01 -1.05 0.53 -0.46 -1.11 0.00 0.00 175.55 173.45 2rpc s TRP 62 N 1.36 3.58 0.66 2.71 -0.11 -1.26 -0.34 118.94 125.53 2rpc s TRP 62 Ca 0.09 1.01 0.14 0.00 1.22 0.00 0.00 56.10 58.55 2rpc s TRP 62 Cb -0.24 -2.33 0.71 0.00 -1.50 0.00 0.00 33.47 30.11 2rpc s TRP 62 CO -0.00 0.42 1.39 1.49 -4.62 0.00 0.00 176.95 175.63 2rpc h GLU 63 N 3.45 0.00 -0.01 5.86 4.81 -1.85 -1.87 114.58 124.98 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 -0.85 -0.73 0.00 0.00 179.01 177.76 2rpc n GLU 64 N -2.72 0.52 -1.56 1.92 0.00 -1.26 -5.04 120.64 112.50 2rpc n GLU 64 Ca 0.01 -1.17 -0.50 0.00 0.00 0.00 0.00 57.16 55.50 2rpc n GLU 64 Cb 0.79 0.41 -0.04 0.00 0.00 0.00 0.00 31.44 32.59 2rpc n GLU 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2rpc n PRO 66 N 1.73 0.17 0.03 0.00 -0.04 -1.26 -2.36 135.00 133.27 2rpc n PRO 66 Ca 0.16 0.41 0.02 0.00 -0.04 0.00 0.00 63.50 64.04 2rpc n PRO 66 Cb 0.23 -1.83 -0.08 0.00 -0.04 0.00 0.00 33.50 31.78 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 -2.15 0.62 -2.05 0.54 5.12 -1.26 -4.97 116.66 112.51 2rpc n ARG 67 Ca 0.02 0.17 -0.10 0.00 -1.93 0.00 0.00 57.85 56.01 2rpc n ARG 67 Cb 0.22 -1.78 -0.01 0.00 -1.16 0.00 0.00 32.46 29.73 2rpc n ARG 67 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2rpc n GLU 68 N -2.81 -0.78 0.00 5.56 1.02 -1.00 -2.71 120.64 119.93 2rpc n GLU 68 Ca -0.09 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 2rpc n GLU 68 Cb 0.79 -4.58 0.00 0.00 -0.02 0.00 0.00 31.44 27.64 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 -1.13 3.05 3.26 0.62 0.00 -1.26 -4.99 105.19 104.74 2rpc n GLY 69 Ca -0.12 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.42 2rpc n GLY 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2rpc n LYS 70 N -0.48 0.00 -0.70 1.61 4.01 -1.10 -4.65 118.16 116.85 2rpc n LYS 70 Ca 0.00 0.00 -0.20 0.00 -0.51 0.00 0.00 58.31 57.60 2rpc n LYS 70 Cb 0.00 -1.45 0.17 0.00 -0.51 0.00 0.00 35.03 33.24 2rpc n LYS 70 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 2rpc n SER 71 N 8.77 -1.69 -4.11 4.39 3.41 -1.26 -4.95 113.62 118.18 2rpc n SER 71 Ca 0.59 -0.95 -0.24 0.00 -0.26 0.00 0.00 58.87 58.00 2rpc n SER 71 Cb -0.00 -0.67 -0.04 0.00 -0.26 0.00 0.00 64.21 63.24 2rpc n SER 71 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2rpc n PHE 72 N -4.05 0.61 -0.95 7.33 3.01 -1.26 -5.04 117.46 117.11 2rpc n PHE 72 Ca 0.10 -1.93 0.07 0.00 1.01 0.00 0.00 57.45 56.71 2rpc n PHE 72 Cb 0.39 -0.28 0.35 0.00 -0.01 0.00 0.00 39.48 39.94 2rpc n PHE 72 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2rpc n LYS 73 N -1.08 4.18 -3.60 -1.08 5.02 -1.26 -4.97 118.16 115.37 2rpc n LYS 73 Ca -0.14 -3.06 -0.06 0.00 -2.02 0.00 0.00 58.31 53.03 2rpc n LYS 73 Cb 0.50 -2.12 -0.02 0.00 -0.02 0.00 0.00 35.03 33.37 2rpc n LYS 73 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2rpc s ALA 74 N -2.81 -1.77 -0.03 7.82 0.00 -1.26 -5.04 121.76 118.67 2rpc s ALA 74 Ca 0.50 0.67 -0.23 0.00 0.00 0.00 0.00 51.96 52.91 2rpc s ALA 74 Cb 0.39 0.50 -0.17 0.00 0.00 0.00 0.00 23.12 23.85 2rpc s ALA 74 CO 0.13 -0.83 1.02 -0.22 0.00 0.00 0.00 175.76 175.86 2rpc h LYS 75 N 2.00 -0.23 -0.39 0.00 1.63 -1.99 -3.13 116.57 114.45 2rpc h LYS 75 Ca -0.23 0.02 0.11 0.00 -0.85 0.00 0.00 60.65 59.70 2rpc h LYS 75 Cb 1.24 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.90 2rpc h LYS 75 CO 0.29 0.18 0.33 0.10 -3.45 0.00 0.00 179.45 176.90 2rpc h TYR 76 N -0.79 0.00 -0.77 1.91 -0.00 -1.98 0.16 116.97 115.50 2rpc h TYR 76 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.66 2rpc h TYR 76 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.22 2rpc h TYR 76 CO 0.07 0.00 0.31 0.87 -0.00 0.00 0.00 178.16 179.42 2rpc h LYS 77 N 0.00 1.15 0.14 0.10 1.79 -1.95 0.05 116.57 117.84 2rpc h LYS 77 Ca 0.19 -0.20 -0.19 0.00 -2.18 0.00 0.00 60.65 58.27 2rpc h LYS 77 Cb 0.85 -0.19 0.02 0.00 -1.58 0.00 0.00 32.23 31.33 2rpc h LYS 77 CO -0.00 0.93 -0.83 1.25 -1.08 0.00 0.00 179.45 179.72 2rpc h LEU 78 N 1.11 0.46 -1.07 2.94 5.85 -1.04 -3.00 115.31 120.56 2rpc h LEU 78 Ca 0.26 -0.95 0.05 0.00 0.84 0.00 0.00 57.88 58.08 2rpc h LEU 78 Cb 0.20 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.03 2rpc h LEU 78 CO -0.02 1.40 0.63 0.58 -0.34 0.00 0.00 178.44 180.68 2rpc h VAL 79 N -0.38 1.13 0.00 1.05 2.07 -1.16 -0.55 116.25 118.40 2rpc h VAL 79 Ca -0.15 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 2rpc h VAL 79 Cb 1.64 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2rpc h VAL 79 CO 0.15 0.21 -0.21 0.78 0.02 0.00 0.00 177.57 178.52 2rpc h ASN 80 N 1.17 0.00 0.08 0.57 4.21 -1.08 -3.25 115.58 117.28 2rpc h ASN 80 Ca 0.40 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.90 2rpc h ASN 80 Cb 0.08 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.29 2rpc h ASN 80 CO -0.14 0.21 -0.04 -0.74 -1.29 0.00 0.00 177.43 175.43 2rpc h HIS 81 N 0.00 -0.11 0.00 1.19 -0.00 -0.96 -2.99 115.15 112.28 2rpc h HIS 81 Ca -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2rpc h HIS 81 Cb 0.83 0.03 0.00 0.00 -0.00 0.00 0.00 27.41 28.28 2rpc h HIS 81 CO 0.00 0.36 0.49 0.82 -0.00 0.00 0.00 177.93 179.60 2rpc h ILE 82 N -0.63 0.00 -0.05 6.26 2.04 -1.46 0.17 117.51 123.85 2rpc h ILE 82 Ca -0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.86 2rpc h ILE 82 Cb 0.52 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2rpc h ILE 82 CO 0.02 0.00 0.15 0.03 0.00 0.00 0.00 178.15 178.35 2rpc h ARG 83 N 0.00 0.00 0.00 2.37 2.47 -1.63 0.42 114.38 118.02 2rpc h ARG 83 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2rpc h ARG 83 Cb 0.97 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.29 2rpc h ARG 83 CO 0.00 0.00 -0.44 1.33 0.56 0.00 0.00 179.97 181.42 2rpc n VAL 84 N -3.26 0.22 0.50 2.04 0.24 0.61 -2.73 118.33 115.95 2rpc n VAL 84 Ca -0.01 -0.15 0.12 0.00 -2.04 0.00 0.00 64.34 62.25 2rpc n VAL 84 Cb 0.23 -0.10 0.13 0.00 -1.47 0.00 0.00 33.84 32.62 2rpc n VAL 84 CO 0.00 0.00 0.00 0.45 -2.14 0.00 0.00 176.83 175.14 2rpc h HIS 85 N 0.00 0.00 0.00 6.34 3.86 -0.32 -3.42 115.15 121.62 2rpc h HIS 85 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2rpc h HIS 85 Cb 0.63 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.10 2rpc h HIS 85 CO 0.00 0.00 0.00 0.25 0.86 0.00 0.00 177.93 179.04 2rpc n THR 86 N -2.18 0.00 0.00 2.45 -2.24 -1.12 -4.96 114.28 106.22 2rpc n THR 86 Ca 0.03 0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 2rpc n THR 86 Cb 0.46 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 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 2.35 0.00 3.76 3.38 0.00 -1.25 -4.98 105.19 108.44 2rpc n GLY 87 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.00 2.73 0.21 1.61 2.12 -1.10 -5.02 118.70 118.23 2rpc s GLU 88 Ca 0.00 1.53 -0.01 0.00 0.36 0.00 0.00 54.97 56.84 2rpc s GLU 88 Cb 0.00 -1.93 -0.04 0.00 0.26 0.00 0.00 34.13 32.42 2rpc s GLU 88 CO 0.00 -1.33 0.41 0.15 -0.54 0.00 0.00 175.26 173.95 2rpc s LYS 89 N -3.90 3.54 -0.02 4.30 -0.14 -1.26 -4.17 119.74 118.08 2rpc s LYS 89 Ca 0.70 -0.29 -0.25 0.00 -1.36 0.00 0.00 55.97 54.77 2rpc s LYS 89 Cb -0.23 -2.82 -0.19 0.00 -1.68 0.00 0.00 37.83 32.91 2rpc s LYS 89 CO 0.40 0.39 1.19 -1.00 -0.76 0.00 0.00 175.35 175.57 2rpc h PRO 90 N 2.02 -0.10 -2.33 -1.68 0.13 -1.85 -3.46 132.00 124.73 2rpc h PRO 90 Ca -0.48 0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 64.58 2rpc h PRO 90 Cb 1.19 0.02 -0.22 0.00 0.13 0.00 0.00 31.00 32.12 2rpc h PRO 90 CO 0.68 0.35 -0.02 -0.59 -0.23 0.00 0.00 178.00 178.19 2rpc s PHE 91 N -4.18 -0.62 0.00 1.56 -0.12 -1.26 -5.12 117.98 108.23 2rpc s PHE 91 Ca -0.15 1.48 0.00 0.00 -0.05 0.00 0.00 56.93 58.21 2rpc s PHE 91 Cb 0.01 0.23 0.00 0.00 -0.63 0.00 0.00 43.02 42.64 2rpc s PHE 91 CO 0.62 -0.34 0.00 -0.35 -0.05 0.00 0.00 175.22 175.10 2rpc n PRO 92 N 2.54 0.10 -3.42 1.99 -0.04 -1.26 -4.29 135.00 130.61 2rpc n PRO 92 Ca -0.14 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.94 2rpc n PRO 92 Cb 0.56 0.00 -0.06 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 2.53 0.49 -3.57 0.00 -0.04 -1.26 -4.70 135.00 128.44 2rpc n PRO 94 Ca -0.11 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.98 2rpc n PRO 94 Cb 0.52 -1.33 -0.07 0.00 -0.04 0.00 0.00 33.50 32.59 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 3.53 -0.02 0.54 2.19 -1.26 -4.98 117.98 115.98 2rpc s PHE 95 Ca 0.15 0.67 -0.23 0.00 0.33 0.00 0.00 56.93 57.85 2rpc s PHE 95 Cb 0.07 -2.29 -0.17 0.00 -1.31 0.00 0.00 43.02 39.33 2rpc s PHE 95 CO 0.12 0.38 1.09 -1.00 1.83 0.00 0.00 175.22 177.63 2rpc h PRO 96 N 6.09 -0.26 -1.83 10.12 0.13 -1.84 -3.26 132.00 141.15 2rpc h PRO 96 Ca -0.45 0.02 -0.26 0.00 -0.87 0.00 0.00 66.00 64.44 2rpc h PRO 96 Cb 1.18 0.06 -0.10 0.00 0.13 0.00 0.00 31.00 32.27 2rpc h PRO 96 CO 0.71 0.13 0.17 0.41 -0.23 0.00 0.00 178.00 179.18 2rpc n GLY 97 N 0.14 3.58 1.74 1.56 0.00 -1.26 -4.05 105.19 106.91 2rpc n GLY 97 Ca -0.09 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 2.02 0.11 3.91 0.00 0.00 -1.23 -4.98 105.19 105.02 2rpc n GLY 99 Ca 0.00 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 -4.66 3.60 0.00 1.61 2.47 -1.26 -4.90 119.74 116.60 2rpc s LYS 100 Ca 0.00 -0.13 -0.00 0.00 -1.56 0.00 0.00 55.97 54.28 2rpc s LYS 100 Cb 0.00 -2.79 -0.01 0.00 -1.46 0.00 0.00 37.83 33.57 2rpc s LYS 100 CO 0.00 0.39 -0.00 0.42 0.16 0.00 0.00 175.35 176.31 2rpc s ILE 101 N -1.82 0.03 -0.07 5.43 1.01 -1.26 0.19 121.20 124.72 2rpc s ILE 101 Ca 0.41 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.80 2rpc s ILE 101 Cb -0.11 -0.09 0.01 0.00 0.01 0.00 0.00 42.46 42.27 2rpc s ILE 101 CO 0.27 -0.15 -0.13 -0.36 0.00 0.00 0.00 174.94 174.56 2rpc s PHE 102 N -0.45 1.57 -1.70 3.97 0.40 -1.26 -4.99 117.98 115.52 2rpc s PHE 102 Ca -0.05 -0.61 0.12 0.00 -0.60 0.00 0.00 56.93 55.79 2rpc s PHE 102 Cb -0.03 -1.15 0.65 0.00 0.51 0.00 0.00 43.02 43.00 2rpc s PHE 102 CO -0.00 -0.31 1.22 0.00 0.70 0.00 0.00 175.22 176.82 2rpc n ALA 103 N 3.87 1.82 -3.19 5.36 0.00 -1.26 -4.52 120.51 122.58 2rpc n ALA 103 Ca -0.22 -0.06 -0.29 0.00 0.00 0.00 0.00 53.44 52.87 2rpc n ALA 103 Cb 0.52 -1.19 -0.17 0.00 0.00 0.00 0.00 19.45 18.61 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 -2.30 2.46 0.13 0.00 0.52 -1.26 -4.75 118.95 113.75 2rpc s ARG 104 Ca 0.14 -0.72 -0.19 0.00 -0.52 0.00 0.00 55.73 54.45 2rpc s ARG 104 Cb 0.08 -1.94 -0.03 0.00 0.52 0.00 0.00 34.95 33.58 2rpc s ARG 104 CO 0.16 0.17 1.77 0.77 0.02 0.00 0.00 175.30 178.19 2rpc h SER 105 N 6.65 0.20 -0.81 0.23 0.02 -1.93 -2.03 113.55 115.89 2rpc h SER 105 Ca -0.25 0.01 0.12 0.00 -0.84 0.00 0.00 61.79 60.82 2rpc h SER 105 Cb 1.21 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 63.66 2rpc h SER 105 CO 0.47 0.15 0.53 -0.33 -1.14 0.00 0.00 176.83 176.51 2rpc h GLU 106 N 0.27 0.63 -0.47 3.45 4.39 -1.96 -0.09 114.58 120.81 2rpc h GLU 106 Ca 0.10 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.67 2rpc h GLU 106 Cb 0.02 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 2rpc h GLU 106 CO -0.06 0.42 -0.07 -0.91 -1.16 0.00 0.00 179.01 177.23 2rpc h ASN 107 N 0.65 0.80 0.07 1.42 -0.26 -1.76 0.03 115.58 116.53 2rpc h ASN 107 Ca 0.39 -0.23 -0.00 0.00 -0.56 0.00 0.00 56.30 55.90 2rpc h ASN 107 Cb 0.60 -0.22 0.00 0.00 -1.06 0.00 0.00 38.32 37.65 2rpc h ASN 107 CO -0.15 0.91 -0.04 0.25 -1.06 0.00 0.00 177.43 177.34 2rpc h LEU 108 N 0.75 -0.08 -0.42 1.61 5.85 -0.64 -0.82 115.31 121.55 2rpc h LEU 108 Ca 0.13 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 58.41 2rpc h LEU 108 Cb 0.55 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 2rpc h LEU 108 CO 0.03 0.43 0.28 0.07 -0.34 0.00 0.00 178.44 178.91 2rpc h LYS 109 N -0.63 0.56 0.00 1.25 2.10 -1.16 0.19 116.57 118.87 2rpc h LYS 109 Ca -0.01 -0.04 -0.07 0.00 -2.00 0.00 0.00 60.65 58.54 2rpc h LYS 109 Cb 0.53 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 31.72 2rpc h LYS 109 CO 0.02 0.38 -0.31 0.82 -2.00 0.00 0.00 179.45 178.36 2rpc h ILE 110 N 0.57 1.11 0.00 0.07 2.04 -1.05 -2.12 117.51 118.12 2rpc h ILE 110 Ca 0.15 -1.11 -0.09 0.00 1.00 0.00 0.00 64.86 64.81 2rpc h ILE 110 Cb -0.05 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 2rpc h ILE 110 CO -0.03 0.30 -0.55 -0.74 0.00 0.00 0.00 178.15 177.13 2rpc h HIS 111 N 0.00 0.00 0.08 1.37 2.76 -0.43 -3.29 115.15 115.64 2rpc h HIS 111 Ca -0.00 0.00 -0.26 0.00 -2.20 0.00 0.00 60.37 57.91 2rpc h HIS 111 Cb 0.59 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.56 2rpc h HIS 111 CO 0.00 0.42 -1.13 0.87 -1.30 0.00 0.00 177.93 176.80 2rpc h LYS 112 N 0.00 0.37 0.00 5.26 1.57 -0.16 -3.19 116.57 120.43 2rpc h LYS 112 Ca -0.02 -0.51 -0.01 0.00 -1.87 0.00 0.00 60.65 58.24 2rpc h LYS 112 Cb 1.34 0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.82 2rpc h LYS 112 CO 0.05 1.20 -0.05 0.07 -0.57 0.00 0.00 179.45 180.14 2rpc h ARG 113 N 0.16 0.00 0.00 3.15 0.11 -1.47 -1.12 114.38 115.22 2rpc h ARG 113 Ca -0.12 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.90 2rpc h ARG 113 Cb 1.81 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.88 2rpc h ARG 113 CO 0.19 0.05 -0.47 0.00 0.10 0.00 0.00 179.97 179.85 2rpc h THR 114 N 0.00 0.38 0.00 0.08 1.03 -1.64 -3.22 112.91 109.54 2rpc h THR 114 Ca -0.00 -1.56 0.00 0.00 -0.01 0.00 0.00 66.41 64.84 2rpc h THR 114 Cb 0.19 2.10 0.00 0.00 -1.07 0.00 0.00 68.15 69.36 2rpc h THR 114 CO 0.01 0.22 0.00 1.41 -0.01 0.00 0.00 175.52 177.14 2rpc n HIS 115 N -3.07 0.00 -0.63 0.00 8.25 -0.42 -4.77 115.22 114.58 2rpc n HIS 115 Ca 0.01 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.16 2rpc n HIS 115 Cb 0.64 -0.35 0.19 0.00 1.12 0.00 0.00 29.99 31.60 2rpc n HIS 115 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2rpc n THR 116 N -1.35 0.00 0.00 1.59 -1.04 -1.22 -4.46 114.28 107.81 2rpc n THR 116 Ca 0.03 -0.28 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 2rpc n THR 116 Cb 0.06 -0.82 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 2rpc n THR 116 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2rpc n GLY 117 N 1.25 2.27 3.35 3.41 0.00 -1.26 -5.03 105.19 109.19 2rpc n GLY 117 Ca 0.05 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 2rpc n GLY 117 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2rpc s GLU 118 N 0.00 1.88 -0.05 1.61 -1.05 -1.26 -5.13 118.70 114.70 2rpc s GLU 118 Ca 0.00 -1.07 -0.04 0.00 -0.15 0.00 0.00 54.97 53.71 2rpc s GLU 118 Cb 0.00 -2.01 -0.04 0.00 -0.44 0.00 0.00 34.13 31.64 2rpc s GLU 118 CO 0.00 0.52 0.17 -1.59 0.95 0.00 0.00 175.26 175.31 2rpc s LYS 119 N -1.16 3.44 0.11 -4.83 0.00 -1.26 -5.02 119.74 111.03 2rpc s LYS 119 Ca 0.12 -0.25 -0.14 0.00 0.00 0.00 0.00 55.97 55.70 2rpc s LYS 119 Cb -0.10 -3.13 -0.08 0.00 0.00 0.00 0.00 37.83 34.52 2rpc s LYS 119 CO 0.02 0.71 1.43 -1.00 0.00 0.00 0.00 175.35 176.51 2rpc h PRO 120 N 4.24 0.75 -5.30 1.78 0.13 -1.93 -3.43 132.00 128.24 2rpc h PRO 120 Ca -0.51 -0.39 -0.67 0.00 -0.87 0.00 0.00 66.00 63.56 2rpc h PRO 120 Cb 1.20 0.01 -0.31 0.00 0.13 0.00 0.00 31.00 32.04 2rpc h PRO 120 CO 0.65 1.02 -0.83 -0.06 -0.23 0.00 0.00 178.00 178.55 2rpc s PHE 121 N -4.38 2.69 -0.03 1.56 0.40 -0.79 -5.05 117.98 112.38 2rpc s PHE 121 Ca -0.12 -0.93 0.06 0.00 -0.60 0.00 0.00 56.93 55.34 2rpc s PHE 121 Cb 0.09 -1.79 -0.01 0.00 0.51 0.00 0.00 43.02 41.82 2rpc s PHE 121 CO 0.84 -0.37 -0.22 0.21 0.70 0.00 0.00 175.22 176.38 2rpc s LYS 122 N 0.45 2.00 -0.03 0.44 2.20 -1.26 -0.82 119.74 122.72 2rpc s LYS 122 Ca -0.13 -0.79 -0.38 0.00 -0.36 0.00 0.00 55.97 54.30 2rpc s LYS 122 Cb -0.17 -1.82 -0.17 0.00 -1.51 0.00 0.00 37.83 34.16 2rpc s LYS 122 CO 0.06 0.42 1.44 0.00 -0.36 0.00 0.00 175.35 176.91 2rpc n GLU 124 N 3.28 0.05 -2.28 0.00 1.02 -1.26 -4.76 120.64 116.70 2rpc n GLU 124 Ca 0.21 0.15 -0.42 0.00 -0.02 0.00 0.00 57.16 57.07 2rpc n GLU 124 Cb 0.17 -1.57 -0.03 0.00 -0.02 0.00 0.00 31.44 29.99 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 -3.04 2.74 0.84 -0.32 5.36 -1.26 -4.99 117.98 117.30 2rpc s PHE 125 Ca 0.10 0.81 -0.11 0.00 -0.96 0.00 0.00 56.93 56.77 2rpc s PHE 125 Cb 0.14 -3.63 0.10 0.00 -0.34 0.00 0.00 43.02 39.30 2rpc s PHE 125 CO 0.44 -2.33 1.15 -2.00 -1.46 0.00 0.00 175.22 171.03 2rpc s GLU 126 N 3.00 1.51 -1.04 10.12 2.12 -1.26 -2.56 118.70 130.60 2rpc s GLU 126 Ca 0.62 1.54 0.00 0.00 0.36 0.00 0.00 54.97 57.48 2rpc s GLU 126 Cb -0.28 -1.78 0.00 0.00 0.26 0.00 0.00 34.13 32.33 2rpc s GLU 126 CO 0.23 -2.26 0.00 0.41 -0.54 0.00 0.00 175.26 173.09 2rpc n GLY 127 N 0.00 0.93 3.41 -1.50 0.00 -1.26 -4.93 105.19 101.83 2rpc n GLY 127 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.90 4.25 0.29 0.00 1.01 -1.26 -4.89 116.67 115.17 2rpc s ASP 129 Ca 0.12 -1.48 -0.02 0.00 0.71 0.00 0.00 52.55 51.87 2rpc s ASP 129 Cb -0.10 -1.37 -0.02 0.00 1.01 0.00 0.00 42.92 42.44 2rpc s ASP 129 CO 0.01 -0.26 0.36 -0.13 0.21 0.00 0.00 175.17 175.36 2rpc s ARG 130 N 1.21 1.64 -0.17 8.23 1.81 -1.26 -5.06 118.95 125.35 2rpc s ARG 130 Ca -0.03 -1.68 -0.06 0.00 -1.72 0.00 0.00 55.73 52.25 2rpc s ARG 130 Cb -0.19 0.39 0.08 0.00 -0.45 0.00 0.00 34.95 34.78 2rpc s ARG 130 CO -0.07 -0.64 0.34 -0.98 -0.68 0.00 0.00 175.30 173.27 2rpc s ARG 131 N -3.57 0.25 0.17 3.54 1.70 -1.26 -4.31 118.95 115.46 2rpc s ARG 131 Ca 0.33 0.85 0.09 0.00 -0.47 0.00 0.00 55.73 56.53 2rpc s ARG 131 Cb 0.02 0.07 -0.04 0.00 -0.57 0.00 0.00 34.95 34.42 2rpc s ARG 131 CO 0.18 -0.31 -0.20 -0.06 -1.08 0.00 0.00 175.30 173.82 2rpc s PHE 132 N 2.52 1.94 -0.33 5.89 0.08 0.00 -5.04 117.98 123.05 2rpc s PHE 132 Ca 0.01 -0.43 0.19 0.00 0.12 0.00 0.00 56.93 56.82 2rpc s PHE 132 Cb -0.12 -0.98 -0.26 0.00 -0.57 0.00 0.00 43.02 41.09 2rpc s PHE 132 CO -0.11 0.36 0.55 0.00 -0.10 0.00 0.00 175.22 175.92 2rpc n ALA 133 N 0.38 3.32 -2.70 5.36 0.00 -1.26 -1.88 120.51 123.72 2rpc n ALA 133 Ca -0.14 -0.48 -0.18 0.00 0.00 0.00 0.00 53.44 52.64 2rpc n ALA 133 Cb 0.56 -0.66 -0.14 0.00 0.00 0.00 0.00 19.45 19.21 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 -3.69 1.13 0.37 0.00 2.20 -1.26 -4.55 114.94 109.14 2rpc s ASN 134 Ca -0.02 -0.27 0.10 0.00 -0.94 0.00 0.00 52.86 51.73 2rpc s ASN 134 Cb 0.13 -0.09 0.86 0.00 -2.00 0.00 0.00 41.25 40.14 2rpc s ASN 134 CO 0.78 0.05 1.91 -1.28 -2.94 0.00 0.00 177.10 175.63 2rpc h SER 135 N 5.55 0.59 0.22 3.54 0.87 -1.99 -2.28 113.55 120.05 2rpc h SER 135 Ca -0.33 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.27 2rpc h SER 135 Cb 1.18 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 63.02 2rpc h SER 135 CO 0.47 0.33 -0.30 0.28 -0.53 0.00 0.00 176.83 177.08 2rpc h SER 136 N 0.64 -0.82 -0.30 6.23 0.02 -2.00 -2.51 113.55 114.82 2rpc h SER 136 Ca 0.39 0.08 0.07 0.00 -0.84 0.00 0.00 61.79 61.49 2rpc h SER 136 Cb 0.63 0.29 -0.08 0.00 0.14 0.00 0.00 62.40 63.38 2rpc h SER 136 CO -0.16 -0.41 -0.23 -0.78 -1.14 0.00 0.00 176.83 174.12 2rpc h ASP 137 N -0.58 -0.74 -0.55 3.07 1.82 -1.84 0.33 116.42 117.94 2rpc h ASP 137 Ca 0.01 0.14 0.08 0.00 -0.39 0.00 0.00 57.03 56.87 2rpc h ASP 137 Cb 0.56 0.36 -0.10 0.00 0.68 0.00 0.00 39.33 40.83 2rpc h ASP 137 CO -0.11 -0.26 -0.46 -0.09 -1.61 0.00 0.00 179.24 176.71 2rpc h ARG 138 N -0.20 -0.25 -0.81 0.28 2.43 -1.30 0.18 114.38 114.71 2rpc h ARG 138 Ca 0.16 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 2rpc h ARG 138 Cb 0.44 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.01 2rpc h ARG 138 CO -0.42 -0.17 0.51 0.87 -1.51 0.00 0.00 179.97 179.26 2rpc h LYS 139 N -0.26 1.07 0.00 0.20 1.79 -0.99 -0.70 116.57 117.68 2rpc h LYS 139 Ca 0.16 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 2rpc h LYS 139 Cb 0.57 -0.24 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 2rpc h LYS 139 CO -0.67 0.73 0.00 0.87 -1.08 0.00 0.00 179.45 179.30 2rpc h LYS 140 N 1.10 0.00 -0.01 3.15 1.57 0.14 0.44 116.57 122.96 2rpc h LYS 140 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 2rpc h LYS 140 Cb -0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.22 2rpc h LYS 140 CO -0.06 0.00 -0.02 1.58 -0.57 0.00 0.00 179.45 180.38 2rpc n HIS 141 N -3.01 0.00 0.11 -1.35 -0.00 -0.15 -3.53 115.22 107.29 2rpc n HIS 141 Ca -0.02 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.24 2rpc n HIS 141 Cb 0.13 -0.02 0.00 0.00 -0.12 0.00 0.00 29.99 29.99 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 1.50 0.00 -0.05 1.57 2.86 -0.92 -3.33 114.93 116.56 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 0.35 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.01 2rpc h MET 142 CO 0.00 0.11 0.27 0.45 1.06 0.00 0.00 176.91 178.80 2rpc h HIS 143 N 0.00 0.00 0.00 -0.22 3.86 -1.67 0.45 115.15 117.57 2rpc h HIS 143 Ca -0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 2rpc h HIS 143 Cb 1.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.64 2rpc h HIS 143 CO 0.00 0.00 -1.51 1.55 0.86 0.00 0.00 177.93 178.83 2rpc n VAL 144 N -3.06 0.03 0.10 2.45 3.14 -1.25 -4.05 118.33 115.69 2rpc n VAL 144 Ca -0.01 -0.29 -0.21 0.00 -2.96 0.00 0.00 64.34 60.87 2rpc n VAL 144 Cb 0.34 0.38 -0.13 0.00 -1.06 0.00 0.00 33.84 33.37 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 0.93 0.58 1.45 3.86 -0.27 -3.36 115.15 118.34 2rpc h HIS 145 Ca 0.00 -0.59 -0.03 0.00 -1.16 0.00 0.00 60.37 58.59 2rpc h HIS 145 Cb 0.79 -0.07 0.01 0.00 1.06 0.00 0.00 27.41 29.19 2rpc h HIS 145 CO 0.00 1.44 -0.28 1.15 0.86 0.00 0.00 177.93 181.10 2rpc h THR 146 N 0.24 0.09 -4.11 2.45 2.02 -1.59 -3.44 112.91 108.57 2rpc h THR 146 Ca -0.18 -0.42 -0.54 0.00 0.77 0.00 0.00 66.41 66.03 2rpc h THR 146 Cb 1.92 0.13 0.14 0.00 -1.74 0.00 0.00 68.15 68.60 2rpc h THR 146 CO 0.23 0.02 0.48 -0.94 0.37 0.00 0.00 175.52 175.68 2rpc s SER 147 N -4.66 4.83 -0.28 4.18 1.04 -1.26 -5.04 113.70 112.51 2rpc s SER 147 Ca -0.12 2.47 -0.24 0.00 0.48 0.00 0.00 55.95 58.53 2rpc s SER 147 Cb 0.01 -2.60 0.13 0.00 0.10 0.00 0.00 66.02 63.66 2rpc s SER 147 CO 0.39 -1.84 1.09 1.51 0.98 0.00 0.00 173.24 175.36 2rpc s ASP 148 N -1.59 -0.40 0.23 7.02 -4.77 -1.26 -4.89 116.67 111.01 2rpc s ASP 148 Ca 0.79 0.76 -0.16 0.00 -3.30 0.00 0.00 52.55 50.64 2rpc s ASP 148 Cb -0.33 0.79 0.01 0.00 -1.09 0.00 0.00 42.92 42.31 2rpc s ASP 148 CO 0.37 -0.13 0.54 -1.59 0.70 0.00 0.00 175.17 175.06 2rpc s LYS 149 N 0.26 1.51 0.74 2.11 0.00 -1.26 -5.17 119.74 117.94 2rpc s LYS 149 Ca 0.03 -1.04 -0.11 0.00 0.00 0.00 0.00 55.97 54.86 2rpc s LYS 149 Cb -0.05 0.52 0.05 0.00 0.00 0.00 0.00 37.83 38.35 2rpc s LYS 149 CO -0.08 -0.65 1.11 0.45 0.00 0.00 0.00 175.35 176.18 2rpc s SER 150 N -2.94 4.95 0.00 0.03 0.15 -1.26 -4.67 113.70 109.96 2rpc s SER 150 Ca 0.14 0.85 0.00 0.00 0.70 0.00 0.00 55.95 57.65 2rpc s SER 150 Cb -0.02 -1.51 0.00 0.00 -1.71 0.00 0.00 66.02 62.79 2rpc s SER 150 CO 0.03 -1.61 0.00 0.61 1.20 0.00 0.00 173.24 173.47 2rpc n GLY 151 N -3.10 0.54 3.77 9.45 0.00 -1.26 -5.07 105.19 109.52 2rpc n GLY 151 Ca 0.07 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.92 2.70 -0.47 1.61 0.04 -1.26 -5.00 135.00 130.70 2rpc s PRO 152 Ca 0.00 1.35 -0.18 0.00 0.04 0.00 0.00 61.00 62.21 2rpc s PRO 152 Cb 0.00 -1.94 0.04 0.00 0.04 0.00 0.00 34.50 32.64 2rpc s PRO 152 CO 0.00 -1.32 0.52 0.45 0.04 0.00 0.00 177.00 176.69 2rpc s SER 153 N -2.74 6.21 -0.81 6.66 0.15 -1.26 -4.96 113.70 116.95 2rpc s SER 153 Ca 0.66 -0.85 -0.16 0.00 0.70 0.00 0.00 55.95 56.29 2rpc s SER 153 Cb -0.20 -2.25 -0.22 0.00 -1.71 0.00 0.00 66.02 61.64 2rpc s SER 153 CO 0.44 -0.74 1.97 -1.20 1.20 0.00 0.00 173.24 174.91 2rpc n SER 154 N 5.83 -0.45 0.00 5.45 7.64 -1.26 -5.35 113.62 125.48 2rpc n SER 154 Ca -0.07 -0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.67 2rpc n SER 154 Cb 0.46 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 2rpc n SER 154 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64