#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rpc n SER 2 N 0.00 3.37 -3.54 1.61 7.64 -1.26 -5.17 113.62 116.27 2rpc n SER 2 Ca 0.00 -3.26 -0.03 0.00 1.01 0.00 0.00 58.87 56.60 2rpc n SER 2 Cb 0.00 0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 2rpc n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2rpc s SER 3 N -3.82 -0.07 0.00 6.43 0.15 -1.26 -5.05 113.70 110.08 2rpc s SER 3 Ca 0.01 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.14 2rpc s SER 3 Cb 0.00 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 2rpc s SER 3 CO 0.00 -0.88 0.00 0.61 1.20 0.00 0.00 173.24 174.17 2rpc n GLY 4 N -0.60 1.86 2.76 9.45 0.00 -1.26 -4.39 105.19 113.02 2rpc n GLY 4 Ca -0.05 -0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 2rpc n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2rpc n SER 5 N 5.54 3.39 -3.69 1.61 3.41 -1.26 -5.05 113.62 117.58 2rpc n SER 5 Ca 0.00 -3.29 -0.11 0.00 -0.26 0.00 0.00 58.87 55.21 2rpc n SER 5 Cb 0.00 -0.75 -0.06 0.00 -0.26 0.00 0.00 64.21 63.14 2rpc n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2rpc s SER 6 N -1.75 -0.17 0.76 4.04 0.15 -1.26 -5.18 113.70 110.30 2rpc s SER 6 Ca 0.30 -0.29 -0.02 0.00 0.70 0.00 0.00 55.95 56.64 2rpc s SER 6 Cb 0.02 0.43 0.15 0.00 -1.71 0.00 0.00 66.02 64.91 2rpc s SER 6 CO -0.11 -0.76 1.05 -0.83 1.20 0.00 0.00 173.24 173.78 2rpc s GLY 7 N -2.56 1.75 0.04 9.45 0.00 -1.26 -4.96 107.32 109.78 2rpc s GLY 7 Ca 0.01 -1.79 0.08 0.00 0.00 0.00 0.00 44.72 43.01 2rpc s GLY 7 CO -0.09 -1.16 -0.23 1.20 0.00 0.00 0.00 173.10 172.82 2rpc s GLN 8 N -5.25 1.59 0.40 2.90 -0.21 -1.26 -5.00 119.66 112.84 2rpc s GLN 8 Ca 0.68 -1.00 -0.07 0.00 0.02 0.00 0.00 55.36 55.00 2rpc s GLN 8 Cb -0.04 -1.72 0.10 0.00 1.00 0.00 0.00 33.01 32.35 2rpc s GLN 8 CO 0.46 0.44 0.36 -0.35 -2.12 0.00 0.00 175.29 174.08 2rpc n PRO 9 N 1.88 -1.71 -3.74 2.91 -0.04 -1.26 -5.02 135.00 128.02 2rpc n PRO 9 Ca -0.17 -0.57 -0.36 0.00 -0.04 0.00 0.00 63.50 62.36 2rpc n PRO 9 Cb 0.53 -0.54 -0.09 0.00 -0.04 0.00 0.00 33.50 33.36 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 -1.65 5.22 0.03 0.52 1.01 -1.26 -5.08 121.20 119.99 2rpc s ILE 10 Ca 0.23 0.13 -0.20 0.00 0.00 0.00 0.00 60.65 60.81 2rpc s ILE 10 Cb -0.02 -3.41 -0.06 0.00 0.01 0.00 0.00 42.46 38.98 2rpc s ILE 10 CO 0.18 0.38 0.59 -0.54 0.00 0.00 0.00 174.94 175.55 2rpc s LYS 11 N 0.83 4.28 0.16 2.79 -0.14 -1.26 -5.06 119.74 121.33 2rpc s LYS 11 Ca 0.07 0.74 -0.25 0.00 -1.36 0.00 0.00 55.97 55.17 2rpc s LYS 11 Cb -0.13 -3.30 -0.08 0.00 -1.68 0.00 0.00 37.83 32.64 2rpc s LYS 11 CO 0.02 0.48 0.77 -1.14 -0.76 0.00 0.00 175.35 174.73 2rpc s GLN 12 N -0.56 4.57 0.19 1.68 -0.44 -1.22 -5.02 119.66 118.85 2rpc s GLN 12 Ca 0.30 1.15 -0.11 0.00 -2.50 0.00 0.00 55.36 54.21 2rpc s GLN 12 Cb -0.19 -3.26 -0.07 0.00 -1.64 0.00 0.00 33.01 27.85 2rpc s GLN 12 CO 0.18 0.57 0.54 -1.83 0.50 0.00 0.00 175.29 175.24 2rpc s GLU 13 N -1.12 3.85 0.23 1.67 -1.05 -1.26 -4.21 118.70 116.81 2rpc s GLU 13 Ca 0.36 0.33 0.04 0.00 -0.15 0.00 0.00 54.97 55.55 2rpc s GLU 13 Cb -0.23 -2.76 -0.05 0.00 -0.44 0.00 0.00 34.13 30.65 2rpc s GLU 13 CO 0.26 0.39 -0.02 -0.51 0.95 0.00 0.00 175.26 176.33 2rpc s LEU 14 N -2.49 2.25 0.21 1.83 1.43 -1.19 -4.98 118.68 115.74 2rpc s LEU 14 Ca 0.43 -1.20 0.03 0.00 -1.03 0.00 0.00 54.13 52.36 2rpc s LEU 14 Cb -0.13 -0.32 -0.05 0.00 0.03 0.00 0.00 46.19 45.72 2rpc s LEU 14 CO 0.20 -0.48 -0.01 -0.44 0.23 0.00 0.00 176.35 175.86 2rpc s SER 15 N -3.31 1.66 -0.29 2.29 0.01 -1.26 -3.69 113.70 109.11 2rpc s SER 15 Ca 0.28 -1.19 -0.01 0.00 1.31 0.00 0.00 55.95 56.34 2rpc s SER 15 Cb 0.05 0.04 0.13 0.00 0.21 0.00 0.00 66.02 66.45 2rpc s SER 15 CO 0.08 -0.51 0.28 0.00 0.41 0.00 0.00 173.24 173.50 2rpc s LYS 17 N 2.34 3.14 -0.22 0.00 -0.14 -1.26 -4.24 119.74 119.36 2rpc s LYS 17 Ca 0.09 -1.07 -0.06 0.00 -1.36 0.00 0.00 55.97 53.57 2rpc s LYS 17 Cb -0.14 -4.31 -0.03 0.00 -1.68 0.00 0.00 37.83 31.67 2rpc s LYS 17 CO -0.33 -1.73 0.03 -0.46 -0.76 0.00 0.00 175.35 172.10 2rpc s TRP 18 N 3.52 3.08 -0.33 3.18 -0.11 -1.26 -3.47 118.94 123.54 2rpc s TRP 18 Ca 0.20 -0.39 0.03 0.00 1.22 0.00 0.00 56.10 57.16 2rpc s TRP 18 Cb -0.18 -2.14 0.10 0.00 -1.50 0.00 0.00 33.47 29.75 2rpc s TRP 18 CO 0.07 -0.24 0.05 0.42 -4.62 0.00 0.00 176.95 172.62 2rpc s ILE 19 N 1.16 1.99 0.04 5.86 1.01 0.41 -0.75 121.20 130.91 2rpc s ILE 19 Ca 0.04 -2.10 -0.30 0.00 0.00 0.00 0.00 60.65 58.28 2rpc s ILE 19 Cb -0.14 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.83 2rpc s ILE 19 CO 0.02 -0.57 1.06 -0.62 0.00 0.00 0.00 174.94 174.83 2rpc s ASP 20 N 1.06 7.28 0.20 3.58 2.15 -1.26 -4.49 116.67 125.19 2rpc s ASP 20 Ca 0.09 1.82 0.01 0.00 0.43 0.00 0.00 52.55 54.90 2rpc s ASP 20 Cb -0.19 -2.58 0.14 0.00 -0.30 0.00 0.00 42.92 40.00 2rpc s ASP 20 CO -0.11 -0.31 1.49 -0.33 -0.17 0.00 0.00 175.17 175.74 2rpc h GLU 21 N 6.61 0.34 0.00 4.34 5.08 -1.99 -2.80 114.58 126.16 2rpc h GLU 21 Ca -0.42 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 57.69 2rpc h GLU 21 Cb 1.22 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2rpc h GLU 21 CO 0.77 0.88 0.00 0.00 -1.00 0.00 0.00 179.01 179.66 2rpc n ALA 22 N -2.49 2.19 -2.08 3.43 0.00 -1.26 -4.78 120.51 115.52 2rpc n ALA 22 Ca -0.03 -0.10 -0.42 0.00 0.00 0.00 0.00 53.44 52.89 2rpc n ALA 22 Cb 0.66 -1.25 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 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 -2.00 4.25 -0.10 0.00 -2.07 -1.06 -4.89 119.66 113.80 2rpc s GLN 23 Ca 0.23 2.15 0.12 0.00 -1.82 0.00 0.00 55.36 56.04 2rpc s GLN 23 Cb 0.11 -3.51 0.50 0.00 -1.09 0.00 0.00 33.01 29.02 2rpc s GLN 23 CO 0.18 -0.62 1.34 1.28 -1.32 0.00 0.00 175.29 176.15 2rpc n LEU 24 N 5.17 3.56 -4.89 2.60 7.99 -1.26 -4.91 117.00 125.26 2rpc n LEU 24 Ca 0.14 -1.80 -0.27 0.00 -0.01 0.00 0.00 56.01 54.07 2rpc n LEU 24 Cb 0.42 -0.51 -0.04 0.00 -0.11 0.00 0.00 43.42 43.18 2rpc n LEU 24 CO 0.60 0.56 -0.15 -0.55 -1.51 0.00 0.00 177.39 176.35 2rpc s SER 25 N -0.71 6.08 -0.17 -1.43 0.15 -1.26 -5.12 113.70 111.24 2rpc s SER 25 Ca 0.35 0.11 -0.16 0.00 0.70 0.00 0.00 55.95 56.94 2rpc s SER 25 Cb 0.24 -1.77 0.05 0.00 -1.71 0.00 0.00 66.02 62.82 2rpc s SER 25 CO 0.15 0.09 0.47 -0.60 1.20 0.00 0.00 173.24 174.55 2rpc s ARG 26 N -2.98 0.55 0.54 5.44 6.06 -1.26 -3.80 118.95 123.50 2rpc s ARG 26 Ca 0.33 0.64 -0.20 0.00 -2.50 0.00 0.00 55.73 54.00 2rpc s ARG 26 Cb -0.11 0.27 -0.06 0.00 0.06 0.00 0.00 34.95 35.11 2rpc s ARG 26 CO 0.27 -0.07 1.13 -1.25 -2.50 0.00 0.00 175.30 172.88 2rpc s PRO 27 N 0.21 3.37 -0.19 5.12 0.04 -1.26 -5.05 135.00 137.24 2rpc s PRO 27 Ca -0.00 1.62 -0.41 0.00 0.04 0.00 0.00 61.00 62.25 2rpc s PRO 27 Cb -0.03 -2.02 -0.18 0.00 0.04 0.00 0.00 34.50 32.31 2rpc s PRO 27 CO 0.01 -0.84 1.50 1.63 0.04 0.00 0.00 177.00 179.34 2rpc n LYS 28 N -1.27 0.69 -4.05 4.56 5.02 -1.25 -4.94 118.16 116.92 2rpc n LYS 28 Ca 0.11 0.25 -0.31 0.00 -2.02 0.00 0.00 58.31 56.35 2rpc n LYS 28 Cb 0.51 -1.85 -0.06 0.00 -0.02 0.00 0.00 35.03 33.60 2rpc n LYS 28 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2rpc s LYS 29 N 2.07 2.94 0.09 1.97 -2.85 -1.26 -5.12 119.74 117.58 2rpc s LYS 29 Ca 0.95 -0.65 0.01 0.00 -1.00 0.00 0.00 55.97 55.29 2rpc s LYS 29 Cb -1.17 -2.76 -0.04 0.00 -2.06 0.00 0.00 37.83 31.79 2rpc s LYS 29 CO 0.63 0.58 0.20 -1.12 0.10 0.00 0.00 175.35 175.74 2rpc s SER 30 N -2.33 6.17 0.34 0.03 0.01 -1.26 -4.61 113.70 112.05 2rpc s SER 30 Ca 0.29 0.18 -0.28 0.00 1.31 0.00 0.00 55.95 57.45 2rpc s SER 30 Cb -0.12 -1.84 -0.12 0.00 0.21 0.00 0.00 66.02 64.14 2rpc s SER 30 CO 0.22 0.14 1.27 0.00 0.41 0.00 0.00 173.24 175.27 2rpc s ASP 32 N -0.33 3.61 -0.02 0.00 -4.77 -1.26 -4.36 116.67 109.53 2rpc s ASP 32 Ca 0.56 -0.53 -0.30 0.00 -3.30 0.00 0.00 52.55 48.97 2rpc s ASP 32 Cb -0.58 -1.58 0.12 0.00 -1.09 0.00 0.00 42.92 39.79 2rpc s ASP 32 CO 0.62 0.02 1.23 -0.60 0.70 0.00 0.00 175.17 177.13 2rpc s ARG 33 N 1.23 0.49 0.19 2.11 3.52 -1.26 -5.09 118.95 120.14 2rpc s ARG 33 Ca 0.03 -0.26 -0.06 0.00 -0.13 0.00 0.00 55.73 55.31 2rpc s ARG 33 Cb -0.14 0.17 -0.02 0.00 -1.56 0.00 0.00 34.95 33.40 2rpc s ARG 33 CO -0.07 -0.22 0.25 0.95 -0.81 0.00 0.00 175.30 175.40 2rpc s THR 34 N -2.54 0.03 0.18 4.11 -4.23 -1.26 -4.38 115.64 107.55 2rpc s THR 34 Ca 0.13 -1.67 -0.14 0.00 -1.18 0.00 0.00 61.69 58.83 2rpc s THR 34 Cb 0.03 -2.18 0.01 0.00 1.34 0.00 0.00 72.50 71.70 2rpc s THR 34 CO -0.03 -0.15 0.42 -0.36 -0.54 0.00 0.00 174.62 173.95 2rpc s PHE 35 N -4.06 0.09 -0.12 3.99 0.40 -1.24 -4.97 117.98 112.07 2rpc s PHE 35 Ca 0.27 -0.44 0.14 0.00 -0.60 0.00 0.00 56.93 56.30 2rpc s PHE 35 Cb 0.04 0.20 -0.21 0.00 0.51 0.00 0.00 43.02 43.56 2rpc s PHE 35 CO 0.07 -0.82 0.13 -1.13 0.70 0.00 0.00 175.22 174.16 2rpc n SER 36 N -0.28 1.18 -4.53 1.36 3.41 -1.26 -3.19 113.62 110.30 2rpc n SER 36 Ca -0.09 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.27 2rpc n SER 36 Cb 0.63 1.09 -0.11 0.00 -0.26 0.00 0.00 64.21 65.56 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 -2.56 1.65 -0.01 6.66 -4.23 -1.26 -3.42 115.64 112.48 2rpc s THR 37 Ca -0.07 -2.02 -0.23 0.00 -1.18 0.00 0.00 61.69 58.19 2rpc s THR 37 Cb 0.06 -2.87 -0.15 0.00 1.34 0.00 0.00 72.50 70.88 2rpc s THR 37 CO 0.65 -0.03 1.07 -0.03 -0.54 0.00 0.00 174.62 175.74 2rpc h MET 38 N 1.96 -0.45 -1.06 3.99 4.05 -1.95 -3.11 114.93 118.34 2rpc h MET 38 Ca -0.42 0.03 0.28 0.00 -0.28 0.00 0.00 59.70 59.31 2rpc h MET 38 Cb 1.24 0.10 -0.08 0.00 -0.80 0.00 0.00 31.60 32.06 2rpc h MET 38 CO 0.75 -0.13 0.71 0.45 0.23 0.00 0.00 176.91 178.92 2rpc h HIS 39 N -0.90 0.48 -0.57 1.39 3.86 -1.99 0.20 115.15 117.64 2rpc h HIS 39 Ca -0.05 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 2rpc h HIS 39 Cb 0.53 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.83 2rpc h HIS 39 CO 0.03 0.04 0.37 0.93 0.86 0.00 0.00 177.93 180.16 2rpc h GLU 40 N 0.29 0.75 0.50 2.45 4.39 -1.96 0.03 114.58 121.02 2rpc h GLU 40 Ca 0.58 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 60.21 2rpc h GLU 40 Cb 1.69 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 30.18 2rpc h GLU 40 CO -0.22 0.51 -0.24 1.25 -1.16 0.00 0.00 179.01 179.15 2rpc h LEU 41 N 0.77 -0.57 -0.34 1.33 5.85 -0.59 -2.95 115.31 118.80 2rpc h LEU 41 Ca 0.21 -0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.94 2rpc h LEU 41 Cb -0.07 0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.02 2rpc h LEU 41 CO -0.04 -0.17 -0.26 0.58 -0.34 0.00 0.00 178.44 178.20 2rpc h VAL 42 N -1.05 0.33 -0.93 1.05 2.07 -1.36 0.23 116.25 116.60 2rpc h VAL 42 Ca -0.07 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.72 2rpc h VAL 42 Cb 0.59 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 2rpc h VAL 42 CO 0.11 0.00 0.66 0.74 0.02 0.00 0.00 177.57 179.11 2rpc h THR 43 N -0.22 0.54 0.00 2.57 2.02 -1.05 0.34 112.91 117.11 2rpc h THR 43 Ca 0.17 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.34 2rpc h THR 43 Cb 0.49 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 2rpc h THR 43 CO -0.47 0.00 -0.04 -0.74 0.37 0.00 0.00 175.52 174.65 2rpc h HIS 44 N 0.02 0.00 -0.11 3.16 -0.00 -0.47 0.48 115.15 118.23 2rpc h HIS 44 Ca 0.44 0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.85 2rpc h HIS 44 Cb 1.75 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 29.15 2rpc h HIS 44 CO -0.00 0.00 0.32 0.28 -0.00 0.00 0.00 177.93 178.53 2rpc h VAL 45 N -0.73 0.13 0.00 5.26 2.07 -0.58 2.26 116.25 124.67 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 0.04 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 2rpc h VAL 45 CO 0.00 0.00 -1.02 0.41 0.02 0.00 0.00 177.57 176.98 2rpc n THR 46 N -3.18 1.47 -0.10 2.57 -1.04 0.12 -1.81 114.28 112.31 2rpc n THR 46 Ca 0.00 0.07 -0.20 0.00 -2.04 0.00 0.00 64.05 61.89 2rpc n THR 46 Cb 0.41 -2.24 -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 -0.53 2.04 114.93 115.48 2rpc h MET 47 Ca -0.17 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 2rpc h MET 47 Cb 0.93 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.59 2rpc h MET 47 CO -0.10 1.00 0.00 0.39 1.06 0.00 0.00 176.91 179.26 2rpc n GLU 48 N -4.47 0.54 0.00 1.72 -0.58 0.73 -2.31 120.64 116.27 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 0.63 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 30.18 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 -0.82 -0.18 0.84 -0.32 8.25 0.81 -4.81 115.22 118.98 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 0.42 0.00 1.12 0.00 0.00 29.99 31.88 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 0.30 -4.40 1.59 0.31 0.45 -4.95 118.33 109.69 2rpc n VAL 50 Ca 0.00 0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 2rpc n VAL 50 Cb 0.00 -0.83 -0.00 0.00 -0.91 0.00 0.00 33.84 32.10 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 -0.03 -1.56 0.00 2.92 0.00 0.66 -4.80 105.19 102.38 2rpc n GLY 51 Ca 0.09 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.04 1.26 0.00 -0.02 0.00 -1.26 -3.46 105.19 101.66 2rpc n GLY 52 Ca 0.00 -1.96 0.07 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.23 0.49 -0.08 1.61 -0.04 -1.26 -2.80 135.00 132.69 2rpc n PRO 53 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 2rpc n PRO 53 Cb 0.00 -1.44 -0.12 0.00 -0.04 0.00 0.00 33.50 31.90 2rpc n PRO 53 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2rpc n GLU 54 N -0.94 0.65 -1.35 0.54 -0.58 -1.26 -4.90 120.64 112.81 2rpc n GLU 54 Ca 0.10 0.30 -0.53 0.00 -0.42 0.00 0.00 57.16 56.61 2rpc n GLU 54 Cb 0.05 -1.63 -0.11 0.00 -0.57 0.00 0.00 31.44 29.18 2rpc n GLU 54 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 2rpc n GLN 55 N -3.79 0.25 0.00 3.49 7.27 -1.12 -4.85 117.38 118.62 2rpc n GLN 55 Ca -0.40 0.06 0.00 0.00 0.07 0.00 0.00 57.00 56.72 2rpc n GLN 55 Cb 0.92 -1.75 0.00 0.00 2.41 0.00 0.00 30.24 31.81 2rpc n GLN 55 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 2rpc n ASN 56 N 8.87 0.00 -4.53 1.69 5.15 -1.26 -4.18 115.26 121.00 2rpc n ASN 56 Ca 0.54 0.67 -0.42 0.00 -0.60 0.00 0.00 54.58 54.77 2rpc n ASN 56 Cb 0.05 -0.17 -0.03 0.00 -0.53 0.00 0.00 39.78 39.10 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 -2.26 6.22 -0.42 1.20 4.22 -1.26 -4.98 114.94 117.66 2rpc s ASN 57 Ca 0.00 -0.74 -0.16 0.00 -2.14 0.00 0.00 52.86 49.82 2rpc s ASN 57 Cb 0.00 -2.53 0.02 0.00 1.28 0.00 0.00 41.25 40.03 2rpc s ASN 57 CO 0.00 -1.69 0.36 -1.38 -2.04 0.00 0.00 177.10 172.35 2rpc s HIS 58 N 5.20 3.21 -0.02 1.54 -3.43 -1.26 -5.05 115.29 115.48 2rpc s HIS 58 Ca 0.34 -0.52 0.01 0.00 -0.80 0.00 0.00 55.06 54.08 2rpc s HIS 58 Cb -0.09 -2.74 0.01 0.00 -1.43 0.00 0.00 32.58 28.33 2rpc s HIS 58 CO 0.10 -0.65 -0.03 0.08 -2.00 0.00 0.00 174.74 172.24 2rpc s VAL 59 N 1.86 0.33 -0.35 -5.38 1.01 -1.26 -4.40 120.40 112.22 2rpc s VAL 59 Ca 0.08 -0.09 -0.12 0.00 0.00 0.00 0.00 61.98 61.85 2rpc s VAL 59 Cb -0.19 -0.34 -0.00 0.00 0.00 0.00 0.00 36.38 35.85 2rpc s VAL 59 CO 0.11 0.14 0.21 0.00 0.00 0.00 0.00 175.10 175.56 2rpc s TYR 61 N 1.65 3.37 0.14 0.00 2.02 -1.26 -4.56 117.35 118.70 2rpc s TYR 61 Ca 0.05 -1.46 -0.13 0.00 -0.37 0.00 0.00 57.07 55.15 2rpc s TYR 61 Cb -0.18 -3.84 -0.07 0.00 -0.40 0.00 0.00 41.96 37.47 2rpc s TYR 61 CO 0.08 -1.05 0.52 -0.46 -1.57 0.00 0.00 175.55 173.08 2rpc s TRP 62 N 1.32 3.60 0.60 2.71 -0.11 -1.26 -0.45 118.94 125.34 2rpc s TRP 62 Ca 0.09 1.01 0.29 0.00 1.22 0.00 0.00 56.10 58.71 2rpc s TRP 62 Cb -0.23 -2.33 1.20 0.00 -1.50 0.00 0.00 33.47 30.61 2rpc s TRP 62 CO -0.00 0.44 1.56 1.49 -4.62 0.00 0.00 176.95 175.81 2rpc h GLU 63 N 3.55 0.00 -0.03 5.86 4.81 -1.85 -1.75 114.58 125.18 2rpc h GLU 63 Ca -0.49 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.58 2rpc h GLU 63 Cb 1.19 0.00 -0.24 0.00 0.63 0.00 0.00 28.75 30.33 2rpc h GLU 63 CO 0.66 0.00 -0.62 0.39 -0.73 0.00 0.00 179.01 178.71 2rpc n GLU 64 N -3.48 0.24 -1.52 1.92 4.71 -1.26 -5.04 120.64 116.21 2rpc n GLU 64 Ca 0.19 -1.55 -0.52 0.00 -0.01 0.00 0.00 57.16 55.27 2rpc n GLU 64 Cb 1.22 0.17 -0.05 0.00 -1.01 0.00 0.00 31.44 31.77 2rpc n GLU 64 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2rpc h PRO 66 N 2.82 0.00 -0.01 0.00 0.13 -1.97 -2.31 132.00 130.65 2rpc h PRO 66 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2rpc h PRO 66 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 2rpc h PRO 66 CO 0.66 0.00 -0.05 0.54 -0.23 0.00 0.00 178.00 178.92 2rpc n ARG 67 N -3.02 1.38 -2.68 0.86 5.12 -1.26 -4.91 116.66 112.15 2rpc n ARG 67 Ca 0.01 -0.73 -0.13 0.00 -1.93 0.00 0.00 57.85 55.07 2rpc n ARG 67 Cb 0.29 -1.48 -0.00 0.00 -1.16 0.00 0.00 32.46 30.10 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 -0.17 -2.62 -2.35 5.56 1.02 -0.87 -2.10 120.64 119.11 2rpc n GLU 68 Ca 0.18 0.48 -0.05 0.00 -0.02 0.00 0.00 57.16 57.75 2rpc n GLU 68 Cb 0.32 -5.09 0.02 0.00 -0.02 0.00 0.00 31.44 26.68 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 -0.85 -0.33 3.09 0.62 0.00 -1.26 -5.01 105.19 101.44 2rpc n GLY 69 Ca -0.09 0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.47 2.41 0.63 1.61 -0.14 -0.89 -5.05 119.74 114.83 2rpc s LYS 70 Ca 0.16 -2.38 -0.15 0.00 -1.36 0.00 0.00 55.97 52.24 2rpc s LYS 70 Cb -0.02 -3.68 -0.13 0.00 -1.68 0.00 0.00 37.83 32.32 2rpc s LYS 70 CO 0.37 -1.15 -0.39 0.45 -0.76 0.00 0.00 175.35 173.88 2rpc n SER 71 N 3.70 -4.06 -3.11 2.83 2.88 -1.26 -4.98 113.62 109.62 2rpc n SER 71 Ca 0.06 0.36 -0.08 0.00 -1.33 0.00 0.00 58.87 57.87 2rpc n SER 71 Cb 0.38 -0.68 0.02 0.00 -0.75 0.00 0.00 64.21 63.18 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 -1.67 -2.27 -0.56 0.66 3.01 -1.26 -5.04 117.46 110.32 2rpc n PHE 72 Ca 0.03 -0.83 0.06 0.00 1.01 0.00 0.00 57.45 57.71 2rpc n PHE 72 Cb 0.43 -0.20 0.12 0.00 -0.01 0.00 0.00 39.48 39.82 2rpc n PHE 72 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 2rpc n LYS 73 N -1.34 2.39 -3.83 -1.08 -0.00 -1.26 -5.03 118.16 108.01 2rpc n LYS 73 Ca 0.04 -2.19 -0.07 0.00 -0.00 0.00 0.00 58.31 56.09 2rpc n LYS 73 Cb 0.23 -1.36 0.02 0.00 -0.00 0.00 0.00 35.03 33.92 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 -1.95 -1.01 -0.18 0.58 0.00 -1.26 -5.05 121.76 112.88 2rpc s ALA 74 Ca 0.22 -0.61 -0.19 0.00 0.00 0.00 0.00 51.96 51.37 2rpc s ALA 74 Cb 0.17 0.70 -0.22 0.00 0.00 0.00 0.00 23.12 23.78 2rpc s ALA 74 CO 0.05 -1.01 0.31 -0.22 0.00 0.00 0.00 175.76 174.89 2rpc h LYS 75 N 2.00 0.07 0.00 0.00 1.63 -2.00 -3.35 116.57 114.92 2rpc h LYS 75 Ca -0.31 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.38 2rpc h LYS 75 Cb 1.24 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.91 2rpc h LYS 75 CO 0.39 1.05 0.00 0.10 -3.45 0.00 0.00 179.45 177.54 2rpc h TYR 76 N -0.77 0.00 -0.33 1.91 -0.00 -1.98 -2.00 116.97 113.80 2rpc h TYR 76 Ca -0.33 0.00 -0.16 0.00 0.00 0.00 0.00 58.73 58.24 2rpc h TYR 76 Cb 1.44 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 38.16 2rpc h TYR 76 CO 0.11 0.00 -0.44 0.87 -0.00 0.00 0.00 178.16 178.70 2rpc h LYS 77 N 0.00 0.88 0.00 0.10 1.79 -1.98 -2.45 116.57 114.91 2rpc h LYS 77 Ca 0.00 -0.50 -0.00 0.00 -2.18 0.00 0.00 60.65 57.96 2rpc h LYS 77 Cb 0.28 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.97 2rpc h LYS 77 CO 0.00 1.15 -0.02 1.25 -1.08 0.00 0.00 179.45 180.75 2rpc h LEU 78 N 0.67 0.00 -1.93 2.94 5.85 -1.58 -3.04 115.31 118.22 2rpc h LEU 78 Ca 0.04 -0.70 0.24 0.00 0.84 0.00 0.00 57.88 58.31 2rpc h LEU 78 Cb 1.04 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 2rpc h LEU 78 CO 0.10 0.86 0.62 0.58 -0.34 0.00 0.00 178.44 180.26 2rpc h VAL 79 N -1.00 0.58 0.00 1.05 2.07 -1.49 0.76 116.25 118.22 2rpc h VAL 79 Ca -0.00 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 2rpc h VAL 79 Cb 0.71 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2rpc h VAL 79 CO -0.00 0.01 -0.24 -1.13 0.02 0.00 0.00 177.57 176.23 2rpc h ASN 80 N 0.06 0.00 -0.02 0.57 -1.24 -1.52 -3.31 115.58 110.11 2rpc h ASN 80 Ca 0.42 0.00 -0.15 0.00 0.71 0.00 0.00 56.30 57.28 2rpc h ASN 80 Cb 1.59 0.00 0.01 0.00 0.73 0.00 0.00 38.32 40.65 2rpc h ASN 80 CO -0.03 0.10 -0.59 -0.74 -1.29 0.00 0.00 177.43 174.89 2rpc h HIS 81 N 0.00 0.63 -0.34 0.67 2.76 0.64 -3.17 115.15 116.33 2rpc h HIS 81 Ca -0.00 -0.33 0.10 0.00 -2.20 0.00 0.00 60.37 57.94 2rpc h HIS 81 Cb 1.08 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.95 2rpc h HIS 81 CO 0.00 1.14 0.44 0.82 -1.30 0.00 0.00 177.93 179.03 2rpc h ILE 82 N -0.06 0.30 0.00 6.26 2.04 -1.48 0.22 117.51 124.80 2rpc h ILE 82 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.79 2rpc h ILE 82 Cb 1.29 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 2rpc h ILE 82 CO 0.12 0.00 0.03 0.03 0.00 0.00 0.00 178.15 178.33 2rpc h ARG 83 N 0.00 0.00 0.00 2.37 2.47 -1.69 0.30 114.38 117.83 2rpc h ARG 83 Ca 0.16 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.88 2rpc h ARG 83 Cb 1.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.36 2rpc h ARG 83 CO -0.00 0.00 -0.40 1.33 0.56 0.00 0.00 179.97 181.46 2rpc n VAL 84 N -2.45 0.04 1.05 2.04 0.24 0.79 -3.53 118.33 116.51 2rpc n VAL 84 Ca -0.02 -0.03 0.12 0.00 -2.04 0.00 0.00 64.34 62.37 2rpc n VAL 84 Cb 0.07 0.05 0.08 0.00 -1.47 0.00 0.00 33.84 32.57 2rpc n VAL 84 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2rpc n HIS 85 N -1.56 0.00 0.00 6.34 8.25 0.10 -3.95 115.22 124.40 2rpc n HIS 85 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2rpc n HIS 85 Cb 0.35 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.44 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 0.01 0.00 0.71 1.59 -2.24 -1.19 -4.25 114.28 108.91 2rpc n THR 86 Ca 0.10 0.25 0.04 0.00 -2.27 0.00 0.00 64.05 62.17 2rpc n THR 86 Cb 0.46 -0.92 0.23 0.00 -2.10 0.00 0.00 70.33 68.00 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 2.17 -0.36 3.77 3.38 0.00 -1.26 -4.77 105.19 108.11 2rpc n GLY 87 Ca 0.00 -0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.00 3.84 0.21 1.61 2.56 -1.25 -5.03 118.70 118.64 2rpc s GLU 88 Ca 0.11 1.97 -0.00 0.00 0.00 0.00 0.00 54.97 57.05 2rpc s GLU 88 Cb 0.05 -2.58 -0.04 0.00 2.00 0.00 0.00 34.13 33.56 2rpc s GLU 88 CO 0.09 -0.54 0.40 0.15 -0.56 0.00 0.00 175.26 174.80 2rpc s LYS 89 N -2.45 3.51 -0.02 4.30 -0.14 -1.26 -5.04 119.74 118.64 2rpc s LYS 89 Ca 0.60 -0.36 -0.26 0.00 -1.36 0.00 0.00 55.97 54.59 2rpc s LYS 89 Cb -0.34 -2.83 -0.20 0.00 -1.68 0.00 0.00 37.83 32.78 2rpc s LYS 89 CO 0.42 0.39 1.26 -1.00 -0.76 0.00 0.00 175.35 175.66 2rpc h PRO 90 N 1.90 -0.00 -2.14 -1.68 0.13 -1.95 -3.45 132.00 124.81 2rpc h PRO 90 Ca -0.48 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 2rpc h PRO 90 Cb 1.19 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.07 2rpc h PRO 90 CO 0.67 0.48 -0.31 -0.59 -0.23 0.00 0.00 178.00 178.03 2rpc s PHE 91 N -4.25 -1.04 0.00 1.56 -0.12 -1.26 -5.17 117.98 107.70 2rpc s PHE 91 Ca -0.16 1.68 0.00 0.00 -0.05 0.00 0.00 56.93 58.40 2rpc s PHE 91 Cb 0.02 0.43 0.00 0.00 -0.63 0.00 0.00 43.02 42.84 2rpc s PHE 91 CO 0.67 -0.61 0.00 -0.35 -0.05 0.00 0.00 175.22 174.89 2rpc n PRO 92 N 5.41 0.26 -3.27 1.99 -0.04 -1.26 -4.37 135.00 133.71 2rpc n PRO 92 Ca -0.08 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 62.99 2rpc n PRO 92 Cb 0.50 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.90 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 2.52 0.49 -4.34 0.00 -0.04 -1.26 -4.66 135.00 127.71 2rpc n PRO 94 Ca -0.09 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.04 2rpc n PRO 94 Cb 0.51 -1.33 -0.11 0.00 -0.04 0.00 0.00 33.50 32.53 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 3.08 -0.02 0.54 2.19 -1.26 -4.64 117.98 115.87 2rpc s PHE 95 Ca 0.15 -0.17 -0.24 0.00 0.33 0.00 0.00 56.93 57.01 2rpc s PHE 95 Cb 0.07 -1.95 -0.17 0.00 -1.31 0.00 0.00 43.02 39.66 2rpc s PHE 95 CO 0.12 0.07 1.09 -1.00 1.83 0.00 0.00 175.22 177.33 2rpc h PRO 96 N 6.47 -0.25 0.00 10.12 0.13 -1.83 -1.97 132.00 144.67 2rpc h PRO 96 Ca -0.35 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2rpc h PRO 96 Cb 1.19 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2rpc h PRO 96 CO 0.63 0.14 0.00 0.41 -0.23 0.00 0.00 178.00 178.95 2rpc n GLY 97 N 0.15 -0.43 0.16 1.56 0.00 -1.26 -2.70 105.19 102.66 2rpc n GLY 97 Ca -0.09 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 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 1.41 0.09 3.88 0.00 0.00 -0.75 -4.90 105.19 104.92 2rpc n GLY 99 Ca -0.53 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.93 3.79 0.02 1.61 2.47 -1.26 -4.87 119.74 117.57 2rpc s LYS 100 Ca 0.00 0.32 0.02 0.00 -1.56 0.00 0.00 55.97 54.75 2rpc s LYS 100 Cb 0.00 -2.55 -0.01 0.00 -1.46 0.00 0.00 37.83 33.81 2rpc s LYS 100 CO 0.00 0.18 -0.06 0.42 0.16 0.00 0.00 175.35 176.05 2rpc s ILE 101 N -2.04 0.45 0.18 5.43 1.01 -1.26 0.22 121.20 125.19 2rpc s ILE 101 Ca 0.49 -0.63 0.06 0.00 0.00 0.00 0.00 60.65 60.57 2rpc s ILE 101 Cb -0.11 -0.46 -0.05 0.00 0.01 0.00 0.00 42.46 41.86 2rpc s ILE 101 CO 0.25 -0.13 -0.13 -0.36 0.00 0.00 0.00 174.94 174.57 2rpc s PHE 102 N -0.73 1.50 -2.85 3.97 0.40 -1.26 -5.01 117.98 114.00 2rpc s PHE 102 Ca -0.04 -0.66 0.25 0.00 -0.60 0.00 0.00 56.93 55.89 2rpc s PHE 102 Cb -0.06 -0.72 0.44 0.00 0.51 0.00 0.00 43.02 43.19 2rpc s PHE 102 CO 0.00 0.23 1.40 0.00 0.70 0.00 0.00 175.22 177.55 2rpc n ALA 103 N -0.27 2.49 -2.49 5.36 0.00 -1.26 -4.65 120.51 119.69 2rpc n ALA 103 Ca -0.09 -0.62 -0.26 0.00 0.00 0.00 0.00 53.44 52.47 2rpc n ALA 103 Cb 0.60 -0.91 -0.13 0.00 0.00 0.00 0.00 19.45 19.01 2rpc n ALA 103 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2rpc s ARG 104 N -1.99 1.22 -0.04 0.00 6.06 -1.26 -5.01 118.95 117.92 2rpc s ARG 104 Ca 0.31 -1.23 -0.23 0.00 -2.50 0.00 0.00 55.73 52.07 2rpc s ARG 104 Cb 0.20 -1.56 -0.24 0.00 0.06 0.00 0.00 34.95 33.42 2rpc s ARG 104 CO 0.31 0.36 1.03 0.66 -2.50 0.00 0.00 175.30 175.16 2rpc h SER 105 N 3.98 0.29 -0.45 -2.12 4.64 -1.99 -3.17 113.55 114.73 2rpc h SER 105 Ca -0.48 -0.79 -0.00 0.00 -0.47 0.00 0.00 61.79 60.06 2rpc h SER 105 Cb 1.18 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 2rpc h SER 105 CO 0.40 1.04 0.29 1.05 -0.87 0.00 0.00 176.83 178.73 2rpc h GLU 106 N -0.43 0.62 -0.10 4.77 4.11 -1.98 -1.85 114.58 119.72 2rpc h GLU 106 Ca -0.04 -0.05 -0.00 0.00 0.07 0.00 0.00 59.36 59.34 2rpc h GLU 106 Cb 1.10 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 2rpc h GLU 106 CO 0.07 0.43 0.06 -0.91 0.07 0.00 0.00 179.01 178.72 2rpc h ASN 107 N 0.63 0.11 0.75 3.06 4.21 -1.98 0.60 115.58 122.97 2rpc h ASN 107 Ca 0.17 -0.05 -0.04 0.00 1.21 0.00 0.00 56.30 57.60 2rpc h ASN 107 Cb -0.04 -0.03 0.01 0.00 -1.12 0.00 0.00 38.32 37.14 2rpc h ASN 107 CO -0.03 0.13 -0.36 0.25 -1.29 0.00 0.00 177.43 176.12 2rpc h LEU 108 N 0.09 -0.85 -0.96 1.61 5.85 -1.44 0.49 115.31 120.10 2rpc h LEU 108 Ca 0.03 0.01 0.19 0.00 0.84 0.00 0.00 57.88 58.96 2rpc h LEU 108 Cb 0.03 0.22 -0.11 0.00 0.37 0.00 0.00 40.66 41.18 2rpc h LEU 108 CO -0.01 -0.51 0.54 0.07 -0.34 0.00 0.00 178.44 178.20 2rpc h LYS 109 N -1.19 0.65 -0.00 1.25 2.10 -1.37 1.01 116.57 119.01 2rpc h LYS 109 Ca -0.10 -0.04 -0.18 0.00 -2.00 0.00 0.00 60.65 58.33 2rpc h LYS 109 Cb 0.79 -0.15 -0.02 0.00 -0.90 0.00 0.00 32.23 31.96 2rpc h LYS 109 CO 0.17 0.43 -0.81 0.82 -2.00 0.00 0.00 179.45 178.06 2rpc h ILE 110 N 0.67 1.52 0.00 0.07 2.04 -0.78 -3.10 117.51 117.93 2rpc h ILE 110 Ca 0.56 -2.61 -0.00 0.00 1.00 0.00 0.00 64.86 63.81 2rpc h ILE 110 Cb 0.91 2.43 -0.00 0.00 -0.74 0.00 0.00 36.82 39.41 2rpc h ILE 110 CO -0.41 0.75 -0.10 -0.74 0.00 0.00 0.00 178.15 177.65 2rpc h HIS 111 N 0.06 0.00 0.00 1.37 -0.00 0.29 -3.23 115.15 113.64 2rpc h HIS 111 Ca -0.02 0.00 -0.15 0.00 -0.00 0.00 0.00 60.37 60.19 2rpc h HIS 111 Cb 1.42 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.81 2rpc h HIS 111 CO 0.01 0.00 -0.72 0.87 -0.00 0.00 0.00 177.93 178.09 2rpc h LYS 112 N 0.00 0.00 0.00 5.26 1.57 0.98 -3.07 116.57 121.31 2rpc h LYS 112 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2rpc h LYS 112 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.31 2rpc h LYS 112 CO 0.00 0.72 0.00 0.07 -0.57 0.00 0.00 179.45 179.67 2rpc h ARG 113 N 0.00 0.00 -0.04 3.15 0.11 -1.56 -2.92 114.38 113.12 2rpc h ARG 113 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 2rpc h ARG 113 Cb 1.40 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.48 2rpc h ARG 113 CO 0.09 0.00 0.00 -2.37 0.10 0.00 0.00 179.97 177.79 2rpc n THR 114 N -2.36 0.04 -0.01 0.08 5.66 -1.16 -4.31 114.28 112.22 2rpc n THR 114 Ca 0.04 -0.24 -0.00 0.00 -3.05 0.00 0.00 64.05 60.80 2rpc n THR 114 Cb 0.39 0.36 -0.00 0.00 -1.55 0.00 0.00 70.33 69.53 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 2.06 0.00 -1.55 1.09 3.86 -1.61 -3.51 115.15 115.49 2rpc h HIS 115 Ca 0.00 0.00 0.22 0.00 -1.16 0.00 0.00 60.37 59.43 2rpc h HIS 115 Cb 0.44 0.00 -0.19 0.00 1.06 0.00 0.00 27.41 28.72 2rpc h HIS 115 CO 0.02 0.00 0.76 0.99 0.86 0.00 0.00 177.93 180.56 2rpc s THR 116 N -1.18 0.00 -0.00 2.45 2.01 -1.26 -5.06 115.64 112.59 2rpc s THR 116 Ca -0.01 0.00 -0.16 0.00 0.31 0.00 0.00 61.69 61.83 2rpc s THR 116 Cb 0.00 -1.00 -0.34 0.00 0.01 0.00 0.00 72.50 71.17 2rpc s THR 116 CO 0.02 0.00 0.90 1.23 -0.69 0.00 0.00 174.62 176.08 2rpc h GLY 117 N 2.05 0.54 -2.04 4.40 0.00 -1.94 -3.47 103.07 102.61 2rpc h GLY 117 Ca -0.11 -1.37 -0.49 0.00 0.00 0.00 0.00 47.33 45.35 2rpc h GLY 117 CO 0.24 1.20 0.18 -0.54 0.00 0.00 0.00 176.54 177.63 2rpc s GLU 118 N -2.56 3.66 0.14 4.80 0.41 -1.26 -5.07 118.70 118.82 2rpc s GLU 118 Ca -0.12 0.44 -0.15 0.00 -0.41 0.00 0.00 54.97 54.73 2rpc s GLU 118 Cb 0.04 -2.31 -0.07 0.00 -1.78 0.00 0.00 34.13 30.01 2rpc s GLU 118 CO 0.90 -0.21 0.56 0.15 -0.49 0.00 0.00 175.26 176.17 2rpc s LYS 119 N -4.46 4.03 0.06 1.61 3.01 -1.26 -5.01 119.74 117.72 2rpc s LYS 119 Ca 0.51 0.55 -0.19 0.00 -1.01 0.00 0.00 55.97 55.83 2rpc s LYS 119 Cb -0.10 -2.98 -0.13 0.00 -1.01 0.00 0.00 37.83 33.61 2rpc s LYS 119 CO 0.41 0.50 1.37 -1.00 0.51 0.00 0.00 175.35 177.13 2rpc h PRO 120 N 3.71 0.44 -5.14 -1.68 0.13 -1.94 -3.43 132.00 124.09 2rpc h PRO 120 Ca -0.49 -0.23 -0.67 0.00 -0.87 0.00 0.00 66.00 63.74 2rpc h PRO 120 Cb 1.20 0.01 -0.33 0.00 0.13 0.00 0.00 31.00 32.00 2rpc h PRO 120 CO 0.65 0.80 -0.84 -0.06 -0.23 0.00 0.00 178.00 178.32 2rpc s PHE 121 N -4.33 2.75 -0.07 1.56 0.40 -1.09 -5.06 117.98 112.15 2rpc s PHE 121 Ca -0.14 -1.35 0.05 0.00 -0.60 0.00 0.00 56.93 54.89 2rpc s PHE 121 Cb 0.06 -1.88 -0.00 0.00 0.51 0.00 0.00 43.02 41.70 2rpc s PHE 121 CO 0.77 -0.64 -0.21 0.21 0.70 0.00 0.00 175.22 176.05 2rpc s LYS 122 N 1.01 2.37 -0.64 0.44 2.20 -1.26 -0.05 119.74 123.81 2rpc s LYS 122 Ca -0.02 -0.76 -0.33 0.00 -0.36 0.00 0.00 55.97 54.51 2rpc s LYS 122 Cb -0.15 -1.94 -0.18 0.00 -1.51 0.00 0.00 37.83 34.06 2rpc s LYS 122 CO -0.05 0.25 2.09 0.00 -0.36 0.00 0.00 175.35 177.27 2rpc n GLU 124 N 6.90 0.04 -2.22 0.00 0.28 -1.26 -4.65 120.64 119.74 2rpc n GLU 124 Ca 0.52 0.31 -0.43 0.00 -0.16 0.00 0.00 57.16 57.41 2rpc n GLU 124 Cb -0.00 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.34 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 -2.77 2.47 0.50 -1.84 5.36 -1.26 -4.97 117.98 115.47 2rpc s PHE 125 Ca 0.04 0.63 -0.23 0.00 -0.96 0.00 0.00 56.93 56.42 2rpc s PHE 125 Cb 0.04 -3.70 -0.06 0.00 -0.34 0.00 0.00 43.02 38.96 2rpc s PHE 125 CO 0.10 -2.71 1.35 -2.00 -1.46 0.00 0.00 175.22 170.50 2rpc s GLU 126 N 3.60 3.42 -0.84 10.12 2.56 -1.26 -2.38 118.70 133.91 2rpc s GLU 126 Ca 0.64 2.23 0.00 0.00 0.00 0.00 0.00 54.97 57.83 2rpc s GLU 126 Cb -0.28 -2.42 0.00 0.00 2.00 0.00 0.00 34.13 33.43 2rpc s GLU 126 CO 0.22 -0.97 0.00 0.41 -0.56 0.00 0.00 175.26 174.37 2rpc n GLY 127 N 0.65 0.97 3.27 -1.50 0.00 -1.26 -5.01 105.19 102.32 2rpc n GLY 127 Ca 0.08 -0.48 -0.27 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.17 4.15 0.34 0.00 1.01 -1.26 -4.89 116.67 114.85 2rpc s ASP 129 Ca 0.09 -1.50 -0.07 0.00 0.71 0.00 0.00 52.55 51.77 2rpc s ASP 129 Cb -0.09 -1.26 0.01 0.00 1.01 0.00 0.00 42.92 42.59 2rpc s ASP 129 CO 0.02 -0.30 0.54 -0.13 0.21 0.00 0.00 175.17 175.51 2rpc s ARG 130 N 1.29 1.93 -0.12 8.23 1.81 -1.26 -5.05 118.95 125.79 2rpc s ARG 130 Ca 0.00 -1.62 -0.06 0.00 -1.72 0.00 0.00 55.73 52.33 2rpc s ARG 130 Cb -0.19 0.49 0.05 0.00 -0.45 0.00 0.00 34.95 34.85 2rpc s ARG 130 CO -0.10 -0.83 0.27 -0.98 -0.68 0.00 0.00 175.30 172.99 2rpc s ARG 131 N -3.03 0.22 0.18 3.54 1.70 -1.26 -4.11 118.95 116.19 2rpc s ARG 131 Ca 0.26 0.60 0.07 0.00 -0.47 0.00 0.00 55.73 56.20 2rpc s ARG 131 Cb -0.01 -0.09 -0.04 0.00 -0.57 0.00 0.00 34.95 34.23 2rpc s ARG 131 CO 0.17 -0.18 -0.14 -0.06 -1.08 0.00 0.00 175.30 174.00 2rpc s PHE 132 N 1.48 1.63 -0.05 5.89 0.08 0.93 -5.00 117.98 122.95 2rpc s PHE 132 Ca -0.08 -0.58 0.10 0.00 0.12 0.00 0.00 56.93 56.49 2rpc s PHE 132 Cb -0.10 -0.78 -0.15 0.00 -0.57 0.00 0.00 43.02 41.42 2rpc s PHE 132 CO -0.09 0.30 0.23 0.00 -0.10 0.00 0.00 175.22 175.56 2rpc n ALA 133 N -0.19 2.43 -2.82 5.36 0.00 -1.26 -2.65 120.51 121.38 2rpc n ALA 133 Ca -0.10 -0.23 -0.22 0.00 0.00 0.00 0.00 53.44 52.89 2rpc n ALA 133 Cb 0.60 -0.34 -0.15 0.00 0.00 0.00 0.00 19.45 19.56 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 -3.03 1.46 0.39 0.00 2.20 -1.26 -4.30 114.94 110.41 2rpc s ASN 134 Ca -0.03 -0.23 0.13 0.00 -0.94 0.00 0.00 52.86 51.79 2rpc s ASN 134 Cb 0.06 -0.29 0.95 0.00 -2.00 0.00 0.00 41.25 39.97 2rpc s ASN 134 CO 0.40 0.12 1.87 -1.28 -2.94 0.00 0.00 177.10 175.27 2rpc h SER 135 N 6.12 0.53 -0.67 3.54 0.87 -1.99 -0.58 113.55 121.36 2rpc h SER 135 Ca -0.33 0.04 0.08 0.00 -1.23 0.00 0.00 61.79 60.35 2rpc h SER 135 Cb 1.17 -0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 63.01 2rpc h SER 135 CO 0.49 0.25 0.35 -1.28 -0.53 0.00 0.00 176.83 176.10 2rpc h SER 136 N 0.55 0.48 -0.47 6.23 0.87 -1.99 -1.43 113.55 117.80 2rpc h SER 136 Ca 0.45 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 61.02 2rpc h SER 136 Cb 0.91 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.81 2rpc h SER 136 CO -0.19 0.29 0.16 0.44 -0.53 0.00 0.00 176.83 177.00 2rpc h ASP 137 N 0.62 0.67 -0.58 6.23 3.32 -1.53 -1.06 116.42 124.09 2rpc h ASP 137 Ca 0.32 -0.19 0.05 0.00 0.02 0.00 0.00 57.03 57.22 2rpc h ASP 137 Cb 0.28 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.61 2rpc h ASP 137 CO -0.23 0.68 0.31 -0.09 -1.72 0.00 0.00 179.24 178.19 2rpc h ARG 138 N 0.61 0.57 0.00 3.56 2.43 -1.12 0.14 114.38 120.57 2rpc h ARG 138 Ca 0.15 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 2rpc h ARG 138 Cb 0.24 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2rpc h ARG 138 CO -0.01 0.38 -0.07 -0.22 -1.51 0.00 0.00 179.97 178.54 2rpc h LYS 139 N 0.59 0.00 0.00 0.20 1.63 -1.11 -2.78 116.57 115.10 2rpc h LYS 139 Ca 0.25 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 60.03 2rpc h LYS 139 Cb 0.15 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.77 2rpc h LYS 139 CO -0.16 0.07 -0.59 0.87 -3.45 0.00 0.00 179.45 176.20 2rpc h LYS 140 N 0.00 0.00 -0.00 1.90 1.57 0.23 -3.24 116.57 117.03 2rpc h LYS 140 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2rpc h LYS 140 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2rpc h LYS 140 CO 0.01 0.09 -0.02 1.58 -0.57 0.00 0.00 179.45 180.53 2rpc n HIS 141 N -2.93 0.00 0.24 -1.35 -0.00 0.33 -3.13 115.22 108.38 2rpc n HIS 141 Ca 0.01 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.31 2rpc n HIS 141 Cb 0.59 -0.16 0.07 0.00 -0.12 0.00 0.00 29.99 30.38 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 0.23 0.00 -0.00 1.57 2.86 -1.60 -3.32 114.93 114.66 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 0.22 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 2rpc h MET 142 CO 0.00 0.00 0.01 1.12 1.06 0.00 0.00 176.91 179.10 2rpc h HIS 143 N 0.00 0.00 0.00 -0.22 -0.00 -1.73 -0.04 115.15 113.16 2rpc h HIS 143 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2rpc h HIS 143 Cb 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.34 2rpc h HIS 143 CO 0.00 0.00 -1.77 1.55 -0.00 0.00 0.00 177.93 177.71 2rpc n VAL 144 N -3.11 0.11 -0.04 6.12 3.14 -1.25 -4.31 118.33 118.99 2rpc n VAL 144 Ca -0.03 -0.48 -0.16 0.00 -2.96 0.00 0.00 64.34 60.71 2rpc n VAL 144 Cb 0.08 -0.01 -0.06 0.00 -1.06 0.00 0.00 33.84 32.80 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 1.07 -3.51 1.45 3.86 -1.15 -3.42 115.15 113.45 2rpc h HIS 145 Ca 0.00 -0.44 -0.61 0.00 -1.16 0.00 0.00 60.37 58.16 2rpc h HIS 145 Cb 0.97 -0.18 -0.12 0.00 1.06 0.00 0.00 27.41 29.15 2rpc h HIS 145 CO 0.00 1.27 -0.18 0.99 0.86 0.00 0.00 177.93 180.87 2rpc s THR 146 N -3.88 5.18 0.26 2.45 2.01 -0.99 -5.06 115.64 115.62 2rpc s THR 146 Ca -0.10 0.72 -0.05 0.00 0.31 0.00 0.00 61.69 62.57 2rpc s THR 146 Cb 0.09 -3.74 -0.01 0.00 0.01 0.00 0.00 72.50 68.85 2rpc s THR 146 CO 0.90 0.23 0.36 -0.55 -0.69 0.00 0.00 174.62 174.86 2rpc s SER 147 N 1.14 0.34 0.17 3.53 0.15 -1.26 -4.91 113.70 112.87 2rpc s SER 147 Ca 0.19 -1.26 -0.20 0.00 0.70 0.00 0.00 55.95 55.38 2rpc s SER 147 Cb -0.15 0.54 0.05 0.00 -1.71 0.00 0.00 66.02 64.75 2rpc s SER 147 CO 0.08 -1.09 0.56 1.51 1.20 0.00 0.00 173.24 175.51 2rpc s ASP 148 N -3.14 -0.41 0.62 5.45 -4.77 -1.26 -5.17 116.67 108.00 2rpc s ASP 148 Ca 0.31 -0.23 -0.08 0.00 -3.30 0.00 0.00 52.55 49.25 2rpc s ASP 148 Cb 0.02 0.58 0.00 0.00 -1.09 0.00 0.00 42.92 42.44 2rpc s ASP 148 CO 0.14 -1.00 0.97 -0.54 0.70 0.00 0.00 175.17 175.43 2rpc s LYS 149 N -3.80 3.01 -1.75 2.11 -0.14 -1.26 -4.07 119.74 113.84 2rpc s LYS 149 Ca 0.04 0.24 -0.16 0.00 -1.36 0.00 0.00 55.97 54.73 2rpc s LYS 149 Cb -0.01 -2.18 0.16 0.00 -1.68 0.00 0.00 37.83 34.13 2rpc s LYS 149 CO -0.09 -0.76 0.40 -1.13 -0.76 0.00 0.00 175.35 173.02 2rpc n SER 150 N -2.72 -0.94 -4.51 2.83 3.41 -1.26 -4.80 113.62 105.63 2rpc n SER 150 Ca 0.05 -1.24 -0.38 0.00 -0.26 0.00 0.00 58.87 57.05 2rpc n SER 150 Cb 0.57 -1.57 0.04 0.00 -0.26 0.00 0.00 64.21 63.00 2rpc n SER 150 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rpc n GLY 151 N -1.52 -1.17 0.18 5.00 0.00 -1.26 -4.89 105.19 101.53 2rpc n GLY 151 Ca -0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 46.02 45.81 2rpc n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rpc h PRO 152 N 0.27 0.18 0.00 1.61 0.13 -1.95 -3.45 132.00 128.78 2rpc h PRO 152 Ca -0.46 -0.09 -0.50 0.00 -0.87 0.00 0.00 66.00 64.07 2rpc h PRO 152 Cb 1.39 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.51 2rpc h PRO 152 CO 0.48 0.61 -0.17 -1.13 -0.23 0.00 0.00 178.00 177.56 2rpc n SER 153 N -3.98 2.35 -3.75 1.44 3.41 -1.26 -5.15 113.62 106.68 2rpc n SER 153 Ca -0.02 -2.63 -0.13 0.00 -0.26 0.00 0.00 58.87 55.83 2rpc n SER 153 Cb 0.51 -0.20 -0.08 0.00 -0.26 0.00 0.00 64.21 64.18 2rpc n SER 153 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2rpc s SER 154 N -4.20 -0.18 0.00 4.04 0.15 -1.26 -5.10 113.70 107.14 2rpc s SER 154 Ca 0.42 0.01 0.00 0.00 0.70 0.00 0.00 55.95 57.08 2rpc s SER 154 Cb -0.03 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 2rpc s SER 154 CO 0.27 -0.51 0.30 0.61 1.20 0.00 0.00 173.24 175.11