#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 1.39 -0.29 1.61 2.88 -1.26 -4.60 113.62 113.35 2rpc n SER 2 Ca 0.00 0.24 0.12 0.00 -1.33 0.00 0.00 58.87 57.90 2rpc n SER 2 Cb 0.00 -0.58 0.29 0.00 -0.75 0.00 0.00 64.21 63.17 2rpc n SER 2 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2rpc h SER 3 N -0.70 0.14 -0.76 -3.46 0.02 -2.05 -3.41 113.55 103.32 2rpc h SER 3 Ca -0.47 0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 60.65 2rpc h SER 3 Cb 1.39 0.21 0.00 0.00 0.14 0.00 0.00 62.40 64.14 2rpc h SER 3 CO -0.28 -0.08 -0.00 0.61 -1.14 0.00 0.00 176.83 175.93 2rpc n GLY 4 N -1.36 -2.69 3.88 -3.77 0.00 -1.26 -4.97 105.19 95.01 2rpc n GLY 4 Ca 0.21 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 2rpc n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rpc s SER 5 N -1.74 5.08 -0.16 1.61 0.01 -1.26 -5.09 113.70 112.15 2rpc s SER 5 Ca 0.01 1.04 -0.04 0.00 1.31 0.00 0.00 55.95 58.27 2rpc s SER 5 Cb -0.00 -1.74 0.08 0.00 0.21 0.00 0.00 66.02 64.56 2rpc s SER 5 CO 0.01 -1.57 0.26 -0.55 0.41 0.00 0.00 173.24 171.80 2rpc s SER 6 N -4.38 0.63 0.00 2.44 0.15 -1.26 -4.98 113.70 106.30 2rpc s SER 6 Ca 0.60 0.32 0.00 0.00 0.70 0.00 0.00 55.95 57.57 2rpc s SER 6 Cb -0.11 0.65 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 2rpc s SER 6 CO 0.51 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.29 2rpc n GLY 7 N 5.34 5.18 3.85 9.45 0.00 -1.26 -5.15 105.19 122.60 2rpc n GLY 7 Ca -0.06 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 2rpc n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rpc s GLN 8 N 4.27 3.98 0.07 1.61 -1.52 -1.26 -5.03 119.66 121.79 2rpc s GLN 8 Ca 0.00 0.59 -0.31 0.00 -1.95 0.00 0.00 55.36 53.69 2rpc s GLN 8 Cb 0.00 -2.58 -0.07 0.00 -0.22 0.00 0.00 33.01 30.14 2rpc s GLN 8 CO 0.00 0.25 1.39 -1.25 -0.25 0.00 0.00 175.29 175.43 2rpc s PRO 9 N -2.74 4.31 -0.07 2.91 0.04 -1.26 -5.03 135.00 133.17 2rpc s PRO 9 Ca 0.50 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.57 2rpc s PRO 9 Cb -0.12 -3.38 -0.03 0.00 0.04 0.00 0.00 34.50 31.02 2rpc s PRO 9 CO 0.19 -0.48 -0.04 0.42 0.04 0.00 0.00 177.00 177.12 2rpc s ILE 10 N 1.59 3.90 -0.19 0.56 1.01 -1.26 -5.10 121.20 121.71 2rpc s ILE 10 Ca 0.64 -0.42 -0.19 0.00 0.00 0.00 0.00 60.65 60.68 2rpc s ILE 10 Cb -0.35 -2.62 -0.03 0.00 0.01 0.00 0.00 42.46 39.47 2rpc s ILE 10 CO 0.29 0.59 0.56 -1.59 0.00 0.00 0.00 174.94 174.79 2rpc s LYS 11 N -0.88 4.21 -0.11 2.79 -2.85 -1.26 -5.06 119.74 116.58 2rpc s LYS 11 Ca 0.13 0.51 -0.02 0.00 -1.00 0.00 0.00 55.97 55.59 2rpc s LYS 11 Cb -0.11 -3.56 -0.03 0.00 -2.06 0.00 0.00 37.83 32.07 2rpc s LYS 11 CO 0.02 -0.16 -0.02 1.14 0.10 0.00 0.00 175.35 176.42 2rpc s GLN 12 N 1.67 3.17 -0.03 1.78 -2.07 -1.26 -5.10 119.66 117.82 2rpc s GLN 12 Ca 0.26 -0.47 -0.20 0.00 -1.82 0.00 0.00 55.36 53.13 2rpc s GLN 12 Cb -0.16 -2.79 -0.05 0.00 -1.09 0.00 0.00 33.01 28.92 2rpc s GLN 12 CO 0.10 0.54 0.59 -1.21 -1.32 0.00 0.00 175.29 173.99 2rpc s GLU 13 N -0.45 4.33 0.31 9.60 8.01 -1.26 -4.30 118.70 134.94 2rpc s GLU 13 Ca 0.08 0.71 0.05 0.00 0.01 0.00 0.00 54.97 55.82 2rpc s GLU 13 Cb -0.12 -3.36 -0.02 0.00 -4.31 0.00 0.00 34.13 26.32 2rpc s GLU 13 CO 0.02 0.31 0.45 -0.51 0.01 0.00 0.00 175.26 175.55 2rpc s LEU 14 N 0.01 4.06 0.04 1.80 1.43 -0.33 -4.97 118.68 120.73 2rpc s LEU 14 Ca 0.31 -0.05 0.04 0.00 -1.03 0.00 0.00 54.13 53.40 2rpc s LEU 14 Cb -0.18 -2.84 -0.02 0.00 0.03 0.00 0.00 46.19 43.18 2rpc s LEU 14 CO 0.16 -0.34 -0.11 -0.44 0.23 0.00 0.00 176.35 175.85 2rpc s SER 15 N -4.11 1.34 -0.24 2.29 0.01 -1.26 -3.81 113.70 107.92 2rpc s SER 15 Ca 0.42 -0.49 -0.03 0.00 1.31 0.00 0.00 55.95 57.15 2rpc s SER 15 Cb -0.09 -0.05 0.10 0.00 0.21 0.00 0.00 66.02 66.19 2rpc s SER 15 CO 0.31 -0.06 0.19 0.00 0.41 0.00 0.00 173.24 174.10 2rpc s LYS 17 N 2.25 3.06 -0.21 0.00 -0.14 -1.26 -4.40 119.74 119.03 2rpc s LYS 17 Ca 0.07 -1.81 -0.06 0.00 -1.36 0.00 0.00 55.97 52.82 2rpc s LYS 17 Cb -0.15 -4.31 -0.03 0.00 -1.68 0.00 0.00 37.83 31.66 2rpc s LYS 17 CO -0.22 -1.32 0.03 -0.46 -0.76 0.00 0.00 175.35 172.62 2rpc s TRP 18 N 1.42 3.08 -0.23 3.18 -0.11 -1.26 -3.26 118.94 121.75 2rpc s TRP 18 Ca 0.05 -0.38 0.02 0.00 1.22 0.00 0.00 56.10 57.01 2rpc s TRP 18 Cb -0.27 -2.13 0.05 0.00 -1.50 0.00 0.00 33.47 29.62 2rpc s TRP 18 CO 0.01 -0.23 -0.10 0.42 -4.62 0.00 0.00 176.95 172.44 2rpc s ILE 19 N 1.11 1.82 0.05 5.86 1.01 -0.63 -2.11 121.20 128.31 2rpc s ILE 19 Ca 0.03 -1.30 -0.20 0.00 0.00 0.00 0.00 60.65 59.18 2rpc s ILE 19 Cb -0.14 -1.96 -0.06 0.00 0.01 0.00 0.00 42.46 40.31 2rpc s ILE 19 CO 0.02 0.03 0.60 -0.62 0.00 0.00 0.00 174.94 174.97 2rpc s ASP 20 N 1.28 7.06 0.25 3.58 2.15 -1.26 -4.47 116.67 125.26 2rpc s ASP 20 Ca -0.05 1.26 0.13 0.00 0.43 0.00 0.00 52.55 54.31 2rpc s ASP 20 Cb -0.18 -2.37 0.15 0.00 -0.30 0.00 0.00 42.92 40.21 2rpc s ASP 20 CO -0.07 0.21 1.48 -0.33 -0.17 0.00 0.00 175.17 176.29 2rpc h GLU 21 N 4.93 0.00 -0.52 4.34 4.39 -1.99 -3.08 114.58 122.65 2rpc h GLU 21 Ca -0.48 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.22 2rpc h GLU 21 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2rpc h GLU 21 CO 0.66 0.63 0.00 0.00 -1.16 0.00 0.00 179.01 179.14 2rpc n ALA 22 N -2.29 2.59 -1.86 3.43 0.00 -1.26 -4.88 120.51 116.24 2rpc n ALA 22 Ca 0.01 -0.24 -0.32 0.00 0.00 0.00 0.00 53.44 52.89 2rpc n ALA 22 Cb 0.73 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.15 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 -1.56 3.91 0.00 0.00 -2.07 -1.17 -4.98 119.66 113.79 2rpc s GLN 23 Ca 0.08 0.91 0.14 0.00 -1.82 0.00 0.00 55.36 54.67 2rpc s GLN 23 Cb 0.05 -2.14 0.02 0.00 -1.09 0.00 0.00 33.01 29.85 2rpc s GLN 23 CO 0.04 -0.29 0.81 -0.11 -1.32 0.00 0.00 175.29 174.42 2rpc n LEU 24 N -1.67 1.62 -4.71 2.60 7.94 -1.26 -4.96 117.00 116.55 2rpc n LEU 24 Ca 0.06 -0.82 -0.41 0.00 -1.11 0.00 0.00 56.01 53.74 2rpc n LEU 24 Cb 0.54 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.45 2rpc n LEU 24 CO 0.47 0.31 0.50 -0.44 -1.11 0.00 0.00 177.39 177.12 2rpc s SER 25 N -1.58 7.09 -0.00 1.96 0.01 -1.26 -5.05 113.70 114.86 2rpc s SER 25 Ca 0.13 1.32 0.01 0.00 1.31 0.00 0.00 55.95 58.71 2rpc s SER 25 Cb 0.11 -2.46 -0.00 0.00 0.21 0.00 0.00 66.02 63.88 2rpc s SER 25 CO 0.31 -0.19 -0.03 -0.60 0.41 0.00 0.00 173.24 173.15 2rpc s ARG 26 N 1.01 0.21 0.30 12.44 6.06 -1.26 -2.76 118.95 134.94 2rpc s ARG 26 Ca 0.42 -0.09 -0.29 0.00 -2.50 0.00 0.00 55.73 53.26 2rpc s ARG 26 Cb -0.19 -0.20 -0.10 0.00 0.06 0.00 0.00 34.95 34.52 2rpc s ARG 26 CO 0.20 0.05 1.24 -1.25 -2.50 0.00 0.00 175.30 173.04 2rpc s PRO 27 N -0.05 4.45 0.02 5.12 0.04 -1.26 -5.05 135.00 138.27 2rpc s PRO 27 Ca 0.01 2.06 -0.28 0.00 0.04 0.00 0.00 61.00 62.83 2rpc s PRO 27 Cb -0.01 -3.13 -0.14 0.00 0.04 0.00 0.00 34.50 31.26 2rpc s PRO 27 CO -0.00 -0.06 0.72 1.63 0.04 0.00 0.00 177.00 179.32 2rpc n LYS 28 N 1.18 0.00 -4.24 4.56 5.02 -1.11 -4.95 118.16 118.62 2rpc n LYS 28 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 2rpc n LYS 28 Cb 0.43 -1.03 -0.05 0.00 -0.02 0.00 0.00 35.03 34.36 2rpc n LYS 28 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2rpc s LYS 29 N -0.10 2.23 0.07 1.97 -0.14 -1.26 -5.14 119.74 117.36 2rpc s LYS 29 Ca 0.63 -2.11 0.05 0.00 -1.36 0.00 0.00 55.97 53.18 2rpc s LYS 29 Cb -0.88 -1.88 -0.04 0.00 -1.68 0.00 0.00 37.83 33.35 2rpc s LYS 29 CO 0.41 -0.41 -0.08 -1.54 -0.76 0.00 0.00 175.35 172.97 2rpc s SER 30 N -4.06 4.53 0.15 2.83 1.04 -1.26 -4.49 113.70 112.45 2rpc s SER 30 Ca 0.26 -0.28 -0.34 0.00 0.48 0.00 0.00 55.95 56.07 2rpc s SER 30 Cb 0.01 -0.96 -0.15 0.00 0.10 0.00 0.00 66.02 65.01 2rpc s SER 30 CO 0.15 0.22 1.36 0.00 0.98 0.00 0.00 173.24 175.95 2rpc s ASP 32 N 0.44 6.23 -0.15 0.00 2.15 -1.26 -4.66 116.67 119.42 2rpc s ASP 32 Ca 0.78 -0.60 -0.34 0.00 0.43 0.00 0.00 52.55 52.81 2rpc s ASP 32 Cb -0.82 -2.26 0.14 0.00 -0.30 0.00 0.00 42.92 39.68 2rpc s ASP 32 CO 0.46 -0.66 1.29 -0.60 -0.17 0.00 0.00 175.17 175.50 2rpc s ARG 33 N 2.36 0.24 0.23 4.34 3.52 -1.26 -5.17 118.95 123.21 2rpc s ARG 33 Ca 0.15 -0.11 -0.14 0.00 -0.13 0.00 0.00 55.73 55.50 2rpc s ARG 33 Cb -0.16 0.10 0.00 0.00 -1.56 0.00 0.00 34.95 33.33 2rpc s ARG 33 CO 0.15 -0.11 0.48 0.95 -0.81 0.00 0.00 175.30 175.97 2rpc s THR 34 N -2.30 0.01 0.25 4.11 -4.23 -1.26 -4.53 115.64 107.70 2rpc s THR 34 Ca 0.12 -1.24 -0.14 0.00 -1.18 0.00 0.00 61.69 59.25 2rpc s THR 34 Cb 0.02 -2.02 -0.00 0.00 1.34 0.00 0.00 72.50 71.84 2rpc s THR 34 CO -0.04 -0.06 0.51 -0.36 -0.54 0.00 0.00 174.62 174.13 2rpc s PHE 35 N -3.97 0.30 -0.03 3.99 0.08 -1.25 -4.99 117.98 112.11 2rpc s PHE 35 Ca 0.18 -0.67 0.03 0.00 0.12 0.00 0.00 56.93 56.59 2rpc s PHE 35 Cb -0.01 0.26 -0.04 0.00 -0.57 0.00 0.00 43.02 42.66 2rpc s PHE 35 CO 0.05 -1.03 0.07 0.43 -0.10 0.00 0.00 175.22 174.64 2rpc n SER 36 N -0.40 3.49 -4.46 1.36 7.64 -1.26 -1.19 113.62 118.80 2rpc n SER 36 Ca -0.02 -0.12 -0.24 0.00 1.01 0.00 0.00 58.87 59.50 2rpc n SER 36 Cb 0.62 1.09 -0.10 0.00 -1.01 0.00 0.00 64.21 64.81 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 -1.98 2.42 0.04 0.44 -4.23 -1.26 -4.18 115.64 106.88 2rpc s THR 37 Ca -0.01 -2.34 -0.28 0.00 -1.18 0.00 0.00 61.69 57.88 2rpc s THR 37 Cb 0.02 -2.26 -0.17 0.00 1.34 0.00 0.00 72.50 71.43 2rpc s THR 37 CO 0.11 -0.37 1.38 -0.03 -0.54 0.00 0.00 174.62 175.17 2rpc h MET 38 N 2.42 -0.64 -1.17 3.99 1.85 -1.94 -2.87 114.93 116.57 2rpc h MET 38 Ca -0.41 0.04 0.35 0.00 -0.61 0.00 0.00 59.70 59.08 2rpc h MET 38 Cb 1.25 0.15 -0.11 0.00 0.43 0.00 0.00 31.60 33.31 2rpc h MET 38 CO 0.58 -0.35 0.75 1.25 -0.40 0.00 0.00 176.91 178.75 2rpc h HIS 39 N -0.86 0.59 -0.26 1.39 -0.00 -1.98 0.34 115.15 114.37 2rpc h HIS 39 Ca -0.07 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.33 2rpc h HIS 39 Cb 0.59 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.82 2rpc h HIS 39 CO -0.00 -0.08 0.17 0.93 -0.00 0.00 0.00 177.93 178.94 2rpc h GLU 40 N 0.23 0.35 0.56 5.26 4.39 -1.93 0.20 114.58 123.64 2rpc h GLU 40 Ca 0.71 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 60.35 2rpc h GLU 40 Cb 2.04 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 30.62 2rpc h GLU 40 CO -0.36 0.26 -0.27 1.25 -1.16 0.00 0.00 179.01 178.72 2rpc h LEU 41 N 0.34 -0.64 -0.06 1.33 5.85 -0.30 -1.76 115.31 120.08 2rpc h LEU 41 Ca 0.10 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.81 2rpc h LEU 41 Cb -0.01 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 2rpc h LEU 41 CO -0.02 -0.34 -0.18 0.58 -0.34 0.00 0.00 178.44 178.14 2rpc h VAL 42 N -0.92 0.55 -0.27 1.05 2.07 -1.34 0.26 116.25 117.66 2rpc h VAL 42 Ca -0.08 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.52 2rpc h VAL 42 Cb 0.63 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2rpc h VAL 42 CO 0.13 0.00 0.26 0.74 0.02 0.00 0.00 177.57 178.72 2rpc h THR 43 N -0.26 0.54 0.00 2.57 2.02 -0.62 0.12 112.91 117.27 2rpc h THR 43 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.26 2rpc h THR 43 Cb 0.37 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 2rpc h THR 43 CO -0.21 0.00 -0.11 -0.74 0.37 0.00 0.00 175.52 174.82 2rpc h HIS 44 N 0.00 0.00 -0.10 3.16 6.17 -0.16 -0.47 115.15 123.75 2rpc h HIS 44 Ca 0.13 0.00 0.03 0.00 0.71 0.00 0.00 60.37 61.24 2rpc h HIS 44 Cb 0.65 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 30.57 2rpc h HIS 44 CO 0.00 0.00 0.30 0.28 0.71 0.00 0.00 177.93 179.22 2rpc h VAL 45 N -0.74 0.13 0.00 5.26 2.07 -0.40 2.24 116.25 124.81 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 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 2rpc h VAL 45 CO 0.00 0.00 -1.03 0.41 0.02 0.00 0.00 177.57 176.97 2rpc n THR 46 N -3.18 1.48 -0.10 2.57 -1.04 0.39 -1.77 114.28 112.63 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 0.38 -2.24 -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 -0.73 1.98 114.93 115.22 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 32.59 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 -4.45 0.54 0.00 1.72 -0.58 0.72 -2.33 120.64 116.26 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 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 30.23 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 -0.80 -0.25 0.85 -0.32 8.25 0.85 -4.81 115.22 119.00 2rpc n HIS 49 Ca 0.08 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.61 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 -1.93 0.28 -4.58 1.59 0.31 0.30 -4.95 118.33 109.36 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 -0.02 -0.63 0.00 2.92 0.00 0.65 -4.83 105.19 103.27 2rpc n GLY 51 Ca 0.09 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 1.80 0.28 -0.02 0.00 -1.26 -3.43 105.19 102.56 2rpc n GLY 52 Ca 0.00 -2.01 0.18 0.00 0.00 0.00 0.00 46.02 44.19 2rpc n GLY 52 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rpc h PRO 53 N 0.00 0.00 0.62 1.61 0.13 -1.97 -3.26 132.00 129.12 2rpc h PRO 53 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 2rpc h PRO 53 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 2rpc h PRO 53 CO 0.00 0.00 -0.30 1.49 -0.23 0.00 0.00 178.00 178.96 2rpc h GLU 54 N 0.00 -0.80 -4.87 0.86 4.57 -1.96 -3.43 114.58 108.95 2rpc h GLU 54 Ca 0.00 0.05 -0.71 0.00 -1.18 0.00 0.00 59.36 57.52 2rpc h GLU 54 Cb 0.49 0.18 0.01 0.00 -0.16 0.00 0.00 28.75 29.27 2rpc h GLU 54 CO 0.00 -0.53 0.57 1.04 -1.18 0.00 0.00 179.01 178.91 2rpc n GLN 55 N -4.65 0.00 0.00 1.92 1.13 -1.23 -4.88 117.38 109.66 2rpc n GLN 55 Ca -0.10 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.96 2rpc n GLN 55 Cb 0.33 -1.22 0.00 0.00 0.11 0.00 0.00 30.24 29.46 2rpc n GLN 55 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2rpc n ASN 56 N 3.28 0.00 -4.55 1.08 2.85 -1.26 -4.58 115.26 112.08 2rpc n ASN 56 Ca 0.25 0.46 -0.41 0.00 -0.11 0.00 0.00 54.58 54.78 2rpc n ASN 56 Cb -0.05 -0.35 -0.03 0.00 1.24 0.00 0.00 39.78 40.60 2rpc n ASN 56 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 2rpc s ASN 57 N -2.29 6.32 -0.18 1.20 2.47 -1.26 -4.99 114.94 116.21 2rpc s ASN 57 Ca 0.00 -0.91 -0.13 0.00 0.42 0.00 0.00 52.86 52.24 2rpc s ASN 57 Cb 0.00 -2.56 -0.05 0.00 -1.45 0.00 0.00 41.25 37.19 2rpc s ASN 57 CO 0.00 -1.69 0.28 -1.38 -3.72 0.00 0.00 177.10 170.59 2rpc s HIS 58 N 5.39 3.43 -0.03 0.43 -3.43 -1.26 -5.08 115.29 114.74 2rpc s HIS 58 Ca 0.40 0.53 -0.02 0.00 -0.80 0.00 0.00 55.06 55.17 2rpc s HIS 58 Cb -0.04 -2.34 0.02 0.00 -1.43 0.00 0.00 32.58 28.78 2rpc s HIS 58 CO 0.03 0.19 0.08 0.08 -2.00 0.00 0.00 174.74 173.12 2rpc s VAL 59 N 0.64 -0.02 -0.27 -5.38 1.01 -1.26 -4.32 120.40 110.80 2rpc s VAL 59 Ca 0.15 0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.15 2rpc s VAL 59 Cb -0.13 -0.13 0.02 0.00 0.00 0.00 0.00 36.38 36.14 2rpc s VAL 59 CO 0.04 0.03 -0.00 0.00 0.00 0.00 0.00 175.10 175.16 2rpc s TYR 61 N 1.40 3.53 0.17 0.00 1.51 -1.26 -4.43 117.35 118.27 2rpc s TYR 61 Ca 0.01 -2.45 -0.12 0.00 -1.01 0.00 0.00 57.07 53.50 2rpc s TYR 61 Cb -0.17 -3.24 -0.07 0.00 -0.11 0.00 0.00 41.96 38.37 2rpc s TYR 61 CO -0.01 -0.94 0.53 -0.46 -1.11 0.00 0.00 175.55 173.56 2rpc s TRP 62 N 0.84 3.54 0.49 2.71 -0.11 -1.26 -1.60 118.94 123.55 2rpc s TRP 62 Ca 0.10 0.96 0.31 0.00 1.22 0.00 0.00 56.10 58.70 2rpc s TRP 62 Cb -0.22 -2.31 1.07 0.00 -1.50 0.00 0.00 33.47 30.51 2rpc s TRP 62 CO -0.04 0.38 1.18 -1.91 -4.62 0.00 0.00 176.95 171.95 2rpc n GLU 63 N 0.47 0.01 -2.69 5.86 2.13 -1.20 -0.15 120.64 125.07 2rpc n GLU 63 Ca -0.03 0.88 -0.07 0.00 0.66 0.00 0.00 57.16 58.59 2rpc n GLU 63 Cb 0.52 -2.11 0.06 0.00 0.27 0.00 0.00 31.44 30.18 2rpc n GLU 63 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2rpc n GLU 64 N -3.23 1.23 -3.11 5.31 -0.58 -1.26 -5.05 120.64 113.95 2rpc n GLU 64 Ca 0.28 -2.73 -0.39 0.00 -0.42 0.00 0.00 57.16 53.89 2rpc n GLU 64 Cb 1.47 -0.82 -0.05 0.00 -0.57 0.00 0.00 31.44 31.46 2rpc n GLU 64 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2rpc h PRO 66 N 5.35 0.00 0.00 0.00 0.13 -1.94 -2.73 132.00 132.81 2rpc h PRO 66 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2rpc h PRO 66 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2rpc h PRO 66 CO 0.69 0.28 -0.00 0.00 -0.23 0.00 0.00 178.00 178.73 2rpc h ARG 67 N 0.00 0.00 -4.48 0.86 2.47 -1.91 -3.45 114.38 107.87 2rpc h ARG 67 Ca -0.00 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.59 2rpc h ARG 67 Cb 0.70 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 28.95 2rpc h ARG 67 CO 0.04 0.00 -0.18 -0.85 0.56 0.00 0.00 179.97 179.54 2rpc n GLU 68 N -3.09 -1.99 -0.14 0.04 0.28 -1.03 0.23 120.64 114.93 2rpc n GLU 68 Ca -0.01 0.03 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 2rpc n GLU 68 Cb 0.22 -3.29 0.00 0.00 1.43 0.00 0.00 31.44 29.80 2rpc n GLU 68 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2rpc n GLY 69 N -0.51 1.82 3.34 -1.84 0.00 -1.26 -5.06 105.19 101.68 2rpc n GLY 69 Ca 0.02 -0.06 -0.46 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.14 3.26 0.97 1.61 -0.14 0.62 -5.00 119.74 119.92 2rpc s LYS 70 Ca 0.00 -1.93 -0.11 0.00 -1.36 0.00 0.00 55.97 52.57 2rpc s LYS 70 Cb 0.00 -4.38 0.18 0.00 -1.68 0.00 0.00 37.83 31.95 2rpc s LYS 70 CO 0.00 -1.38 1.10 0.45 -0.76 0.00 0.00 175.35 174.76 2rpc s SER 71 N 3.08 2.55 0.27 2.83 0.15 -1.26 -4.88 113.70 116.44 2rpc s SER 71 Ca 0.12 1.87 0.08 0.00 0.70 0.00 0.00 55.95 58.72 2rpc s SER 71 Cb -0.20 -2.44 -0.04 0.00 -1.71 0.00 0.00 66.02 61.63 2rpc s SER 71 CO -0.02 -3.28 0.15 -0.36 1.20 0.00 0.00 173.24 170.93 2rpc s PHE 72 N -2.65 2.93 -2.00 3.44 0.40 -1.26 -5.00 117.98 113.83 2rpc s PHE 72 Ca 0.66 -0.19 0.13 0.00 -0.60 0.00 0.00 56.93 56.93 2rpc s PHE 72 Cb -0.22 -1.41 0.75 0.00 0.51 0.00 0.00 43.02 42.64 2rpc s PHE 72 CO 0.60 0.49 1.43 1.17 0.70 0.00 0.00 175.22 179.61 2rpc n LYS 73 N -1.12 0.94 -3.47 0.44 4.81 -1.26 -4.81 118.16 113.68 2rpc n LYS 73 Ca -0.06 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.27 2rpc n LYS 73 Cb 0.59 -1.21 -0.02 0.00 0.02 0.00 0.00 35.03 34.40 2rpc n LYS 73 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2rpc s ALA 74 N -2.00 -1.73 -0.00 3.14 0.00 -1.26 -5.05 121.76 114.85 2rpc s ALA 74 Ca 0.19 0.85 -0.22 0.00 0.00 0.00 0.00 51.96 52.78 2rpc s ALA 74 Cb 0.09 0.52 -0.12 0.00 0.00 0.00 0.00 23.12 23.60 2rpc s ALA 74 CO 0.14 -0.68 0.92 -0.22 0.00 0.00 0.00 175.76 175.93 2rpc h LYS 75 N 2.10 -0.76 0.00 0.00 1.63 -1.98 -2.77 116.57 114.79 2rpc h LYS 75 Ca -0.27 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.58 2rpc h LYS 75 Cb 1.26 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 33.06 2rpc h LYS 75 CO 0.34 -0.51 0.45 0.10 -3.45 0.00 0.00 179.45 176.38 2rpc h TYR 76 N -1.18 0.00 0.18 1.91 -0.00 -1.98 0.39 116.97 116.28 2rpc h TYR 76 Ca -0.08 0.00 -0.29 0.00 -0.00 0.00 0.00 58.73 58.35 2rpc h TYR 76 Cb 0.61 0.00 0.03 0.00 -0.00 0.00 0.00 36.73 37.37 2rpc h TYR 76 CO 0.00 0.00 -1.26 0.87 -0.00 0.00 0.00 178.16 177.77 2rpc h LYS 77 N 0.00 0.54 0.13 0.10 1.79 -1.94 -2.98 116.57 114.21 2rpc h LYS 77 Ca 0.00 -0.82 -0.28 0.00 -2.18 0.00 0.00 60.65 57.37 2rpc h LYS 77 Cb 0.89 0.29 0.01 0.00 -1.58 0.00 0.00 32.23 31.84 2rpc h LYS 77 CO 0.00 1.38 -1.24 1.25 -1.08 0.00 0.00 179.45 179.76 2rpc h LEU 78 N 0.11 0.57 0.82 2.94 5.85 -0.08 -3.21 115.31 122.31 2rpc h LEU 78 Ca -0.21 -0.58 -0.04 0.00 0.84 0.00 0.00 57.88 57.90 2rpc h LEU 78 Cb 1.97 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 42.82 2rpc h LEU 78 CO 0.24 1.43 -0.39 0.58 -0.34 0.00 0.00 178.44 179.95 2rpc h VAL 79 N 0.14 0.18 -0.50 1.05 2.07 -0.96 -2.37 116.25 115.85 2rpc h VAL 79 Ca -0.15 -0.03 0.15 0.00 0.82 0.00 0.00 66.70 67.49 2rpc h VAL 79 Cb 1.94 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 2rpc h VAL 79 CO 0.22 0.00 0.44 0.78 0.02 0.00 0.00 177.57 179.03 2rpc h ASN 80 N -1.12 0.00 -0.24 0.57 2.35 -1.66 0.17 115.58 115.65 2rpc h ASN 80 Ca -0.11 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.52 2rpc h ASN 80 Cb 0.85 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.20 2rpc h ASN 80 CO 0.19 0.00 -0.24 -0.74 -1.65 0.00 0.00 177.43 174.99 2rpc h HIS 81 N 0.00 0.80 0.00 1.19 -0.00 -1.43 -2.67 115.15 113.04 2rpc h HIS 81 Ca 0.24 -0.18 -0.01 0.00 -0.00 0.00 0.00 60.37 60.42 2rpc h HIS 81 Cb 1.12 -0.19 -0.00 0.00 -0.00 0.00 0.00 27.41 28.34 2rpc h HIS 81 CO 0.00 0.88 -0.05 0.82 -0.00 0.00 0.00 177.93 179.58 2rpc h ILE 82 N 0.62 0.66 -1.01 6.26 2.04 -0.35 -2.50 117.51 123.23 2rpc h ILE 82 Ca 0.09 -0.20 0.22 0.00 1.00 0.00 0.00 64.86 65.96 2rpc h ILE 82 Cb 0.73 1.12 -0.12 0.00 -0.74 0.00 0.00 36.82 37.82 2rpc h ILE 82 CO 0.06 0.05 0.61 0.03 0.00 0.00 0.00 178.15 178.89 2rpc h ARG 83 N 0.00 0.63 0.00 2.37 -0.00 -1.46 0.72 114.38 116.63 2rpc h ARG 83 Ca -0.00 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.98 59.43 2rpc h ARG 83 Cb 0.12 -0.14 -0.00 0.00 0.00 0.00 0.00 29.97 29.94 2rpc h ARG 83 CO 0.01 0.42 -0.07 -0.39 0.00 0.00 0.00 179.97 179.93 2rpc h VAL 84 N 0.65 0.47 -0.00 2.04 -1.51 -1.62 0.39 116.25 116.67 2rpc h VAL 84 Ca 0.61 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 65.73 2rpc h VAL 84 Cb 1.10 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 31.50 2rpc h VAL 84 CO -0.43 0.07 0.00 1.41 -1.23 0.00 0.00 177.57 177.40 2rpc n HIS 85 N -3.60 0.00 0.08 5.19 8.25 0.25 -4.26 115.22 121.13 2rpc n HIS 85 Ca -0.02 -0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2rpc n HIS 85 Cb 0.19 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.30 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 -0.85 0.53 -1.85 1.59 -2.24 -0.17 -5.00 114.28 106.29 2rpc n THR 86 Ca 0.21 0.18 -0.19 0.00 -2.27 0.00 0.00 64.05 61.98 2rpc n THR 86 Cb 0.11 -1.07 -0.05 0.00 -2.10 0.00 0.00 70.33 67.22 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 2.51 0.97 3.55 3.38 0.00 0.12 -4.95 105.19 110.77 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 -4.11 3.60 0.06 1.61 2.12 -1.26 -5.11 118.70 115.62 2rpc s GLU 88 Ca 0.00 -0.47 0.02 0.00 0.36 0.00 0.00 54.97 54.88 2rpc s GLU 88 Cb 0.00 -2.94 -0.03 0.00 0.26 0.00 0.00 34.13 31.42 2rpc s GLU 88 CO 0.00 0.33 -0.08 0.15 -0.54 0.00 0.00 175.26 175.12 2rpc s LYS 89 N 0.15 0.64 -0.02 4.30 3.01 -1.26 -4.56 119.74 121.99 2rpc s LYS 89 Ca 0.00 -0.94 -0.25 0.00 -1.01 0.00 0.00 55.97 53.76 2rpc s LYS 89 Cb -0.13 -0.30 -0.20 0.00 -1.01 0.00 0.00 37.83 36.19 2rpc s LYS 89 CO 0.02 0.04 1.23 -1.00 0.51 0.00 0.00 175.35 176.15 2rpc h PRO 90 N 4.03 -0.05 -2.36 -1.68 0.13 -1.83 -3.47 132.00 126.77 2rpc h PRO 90 Ca -0.36 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.70 2rpc h PRO 90 Cb 1.19 0.01 -0.22 0.00 0.13 0.00 0.00 31.00 32.12 2rpc h PRO 90 CO 0.48 0.41 -0.03 -0.59 -0.23 0.00 0.00 178.00 178.04 2rpc s PHE 91 N -4.22 -0.60 0.00 1.56 -0.12 -1.26 -5.17 117.98 108.17 2rpc s PHE 91 Ca -0.15 1.39 0.00 0.00 -0.05 0.00 0.00 56.93 58.11 2rpc s PHE 91 Cb 0.02 0.23 0.00 0.00 -0.63 0.00 0.00 43.02 42.64 2rpc s PHE 91 CO 0.65 -0.35 0.00 -0.35 -0.05 0.00 0.00 175.22 175.11 2rpc n PRO 92 N 2.40 0.19 -3.29 1.99 -0.04 -1.26 -4.29 135.00 130.71 2rpc n PRO 92 Ca -0.15 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.93 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 2.59 0.49 -3.54 0.00 -0.04 -1.26 -4.69 135.00 128.55 2rpc n PRO 94 Ca -0.09 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.01 2rpc n PRO 94 Cb 0.51 -1.43 -0.07 0.00 -0.04 0.00 0.00 33.50 32.48 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 3.52 -0.02 0.54 2.19 -1.26 -5.01 117.98 115.94 2rpc s PHE 95 Ca 0.20 0.68 -0.23 0.00 0.33 0.00 0.00 56.93 57.91 2rpc s PHE 95 Cb 0.09 -2.31 -0.17 0.00 -1.31 0.00 0.00 43.02 39.32 2rpc s PHE 95 CO 0.15 0.35 1.08 -1.00 1.83 0.00 0.00 175.22 177.63 2rpc h PRO 96 N 6.19 -0.27 -1.84 10.12 0.13 -2.03 -3.26 132.00 141.04 2rpc h PRO 96 Ca -0.44 0.02 -0.19 0.00 -0.87 0.00 0.00 66.00 64.52 2rpc h PRO 96 Cb 1.18 0.06 -0.07 0.00 0.13 0.00 0.00 31.00 32.30 2rpc h PRO 96 CO 0.72 0.12 0.11 0.41 -0.23 0.00 0.00 178.00 179.13 2rpc n GLY 97 N 0.15 3.29 1.65 1.56 0.00 -1.26 -4.00 105.19 106.58 2rpc n GLY 97 Ca -0.09 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 2.24 0.24 3.90 0.00 0.00 -1.24 -4.99 105.19 105.34 2rpc n GLY 99 Ca 0.00 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 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 -4.44 3.64 0.03 1.61 2.47 -1.26 -4.91 119.74 116.88 2rpc s LYS 100 Ca 0.00 -0.04 -0.01 0.00 -1.56 0.00 0.00 55.97 54.36 2rpc s LYS 100 Cb 0.00 -2.78 -0.03 0.00 -1.46 0.00 0.00 37.83 33.56 2rpc s LYS 100 CO 0.00 0.40 -0.02 0.42 0.16 0.00 0.00 175.35 176.32 2rpc s ILE 101 N -1.76 0.16 -0.02 5.43 1.01 -1.26 0.28 121.20 125.04 2rpc s ILE 101 Ca 0.42 -1.29 0.01 0.00 0.00 0.00 0.00 60.65 59.79 2rpc s ILE 101 Cb -0.12 -0.83 0.01 0.00 0.01 0.00 0.00 42.46 41.53 2rpc s ILE 101 CO 0.25 -0.71 -0.02 -0.36 0.00 0.00 0.00 174.94 174.10 2rpc s PHE 102 N -2.57 0.38 -2.00 3.97 0.40 -1.26 -5.00 117.98 111.90 2rpc s PHE 102 Ca -0.06 -0.06 0.20 0.00 -0.60 0.00 0.00 56.93 56.42 2rpc s PHE 102 Cb -0.02 -0.35 1.19 0.00 0.51 0.00 0.00 43.02 44.35 2rpc s PHE 102 CO -0.05 -0.08 1.58 0.00 0.70 0.00 0.00 175.22 177.37 2rpc n ALA 103 N 3.56 2.24 -3.26 5.36 0.00 -1.26 -4.19 120.51 122.95 2rpc n ALA 103 Ca -0.20 -0.12 -0.27 0.00 0.00 0.00 0.00 53.44 52.84 2rpc n ALA 103 Cb 0.54 -1.32 -0.17 0.00 0.00 0.00 0.00 19.45 18.50 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 -2.00 2.16 0.12 0.00 3.52 -1.26 -4.65 118.95 116.83 2rpc s ARG 104 Ca 0.30 -0.61 -0.19 0.00 -0.13 0.00 0.00 55.73 55.11 2rpc s ARG 104 Cb 0.14 -1.73 -0.05 0.00 -1.56 0.00 0.00 34.95 31.74 2rpc s ARG 104 CO 0.23 0.12 1.72 0.66 -0.81 0.00 0.00 175.30 177.22 2rpc h SER 105 N 6.73 0.33 0.03 -2.12 4.64 -1.97 -2.21 113.55 118.98 2rpc h SER 105 Ca -0.27 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 60.95 2rpc h SER 105 Cb 1.20 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2rpc h SER 105 CO 0.47 0.32 -0.03 -0.08 -0.87 0.00 0.00 176.83 176.65 2rpc h GLU 106 N 0.31 0.00 0.09 4.77 4.22 -1.97 -2.59 114.58 119.40 2rpc h GLU 106 Ca 0.09 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.53 2rpc h GLU 106 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2rpc h GLU 106 CO -0.01 0.03 -0.04 -0.91 -2.18 0.00 0.00 179.01 175.89 2rpc h ASN 107 N 0.00 -0.10 0.03 1.04 4.21 -1.80 -2.13 115.58 116.83 2rpc h ASN 107 Ca -0.00 -0.24 0.03 0.00 1.21 0.00 0.00 56.30 57.29 2rpc h ASN 107 Cb 0.05 0.03 -0.04 0.00 -1.12 0.00 0.00 38.32 37.23 2rpc h ASN 107 CO 0.00 0.19 -0.25 0.25 -1.29 0.00 0.00 177.43 176.34 2rpc h LEU 108 N -0.40 -0.71 -0.48 1.61 5.85 -1.14 0.29 115.31 120.33 2rpc h LEU 108 Ca -0.01 0.09 0.09 0.00 0.84 0.00 0.00 57.88 58.89 2rpc h LEU 108 Cb 0.34 0.29 -0.08 0.00 0.37 0.00 0.00 40.66 41.57 2rpc h LEU 108 CO 0.02 -0.32 0.01 0.11 -0.34 0.00 0.00 178.44 177.92 2rpc h LYS 109 N -0.40 0.12 0.00 1.25 1.57 -1.52 0.31 116.57 117.90 2rpc h LYS 109 Ca 0.05 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2rpc h LYS 109 Cb 0.47 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 2rpc h LYS 109 CO -0.19 0.08 -0.11 0.82 -0.57 0.00 0.00 179.45 179.48 2rpc h ILE 110 N 0.13 0.60 0.16 1.86 2.04 -0.90 -2.73 117.51 118.67 2rpc h ILE 110 Ca 0.24 -0.48 -0.21 0.00 1.00 0.00 0.00 64.86 65.42 2rpc h ILE 110 Cb 0.36 1.30 0.02 0.00 -0.74 0.00 0.00 36.82 37.77 2rpc h ILE 110 CO -0.40 0.11 -0.92 -0.74 0.00 0.00 0.00 178.15 176.20 2rpc h HIS 111 N 0.00 0.62 -0.39 1.37 2.76 0.15 -3.00 115.15 116.66 2rpc h HIS 111 Ca -0.00 -0.45 0.08 0.00 -2.20 0.00 0.00 60.37 57.80 2rpc h HIS 111 Cb 0.29 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.21 2rpc h HIS 111 CO 0.00 1.35 0.27 0.87 -1.30 0.00 0.00 177.93 179.12 2rpc h LYS 112 N -0.28 0.15 0.00 5.26 1.57 -0.25 1.58 116.57 124.58 2rpc h LYS 112 Ca -0.16 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.52 2rpc h LYS 112 Cb 1.73 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.99 2rpc h LYS 112 CO 0.17 0.10 -0.56 0.07 -0.57 0.00 0.00 179.45 178.66 2rpc h ARG 113 N 0.15 0.00 -0.01 3.15 0.11 -1.57 1.14 114.38 117.35 2rpc h ARG 113 Ca 0.18 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.26 2rpc h ARG 113 Cb 0.52 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.60 2rpc h ARG 113 CO -0.02 0.39 -0.76 -2.37 0.10 0.00 0.00 179.97 177.30 2rpc n THR 114 N -3.15 0.00 0.00 0.08 5.66 0.18 -4.58 114.28 112.47 2rpc n THR 114 Ca 0.01 -0.12 0.00 0.00 -3.05 0.00 0.00 64.05 60.89 2rpc n THR 114 Cb 0.71 1.09 0.00 0.00 -1.55 0.00 0.00 70.33 70.58 2rpc n THR 114 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 2rpc n HIS 115 N -0.96 0.00 -2.65 1.09 -0.00 0.52 -4.90 115.22 108.31 2rpc n HIS 115 Ca 0.06 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.35 2rpc n HIS 115 Cb 0.36 0.13 0.01 0.00 -0.00 0.00 0.00 29.99 30.48 2rpc n HIS 115 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 2rpc n THR 116 N -2.32 5.22 0.00 3.57 -1.04 0.39 -4.52 114.28 115.58 2rpc n THR 116 Ca 0.00 -5.38 0.00 0.00 -2.04 0.00 0.00 64.05 56.63 2rpc n THR 116 Cb 0.23 -2.05 0.00 0.00 -1.82 0.00 0.00 70.33 66.68 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 1.49 0.00 3.95 3.41 0.00 -1.17 -4.40 105.19 108.47 2rpc n GLY 117 Ca 0.37 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.15 2rpc n GLY 117 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2rpc s GLU 118 N -2.00 3.46 0.12 1.61 2.12 -1.26 -5.10 118.70 117.65 2rpc s GLU 118 Ca 0.00 -0.58 -0.14 0.00 0.36 0.00 0.00 54.97 54.60 2rpc s GLU 118 Cb 0.00 -2.89 -0.07 0.00 0.26 0.00 0.00 34.13 31.44 2rpc s GLU 118 CO 0.00 0.43 0.53 0.15 -0.54 0.00 0.00 175.26 175.83 2rpc s LYS 119 N -3.61 3.97 0.12 4.30 -0.14 -1.26 -5.01 119.74 118.11 2rpc s LYS 119 Ca 0.36 0.47 -0.13 0.00 -1.36 0.00 0.00 55.97 55.30 2rpc s LYS 119 Cb -0.10 -2.98 -0.07 0.00 -1.68 0.00 0.00 37.83 33.00 2rpc s LYS 119 CO 0.29 0.51 1.45 -1.00 -0.76 0.00 0.00 175.35 175.84 2rpc h PRO 120 N 3.72 0.82 -4.79 -1.68 0.13 -1.94 -3.41 132.00 124.84 2rpc h PRO 120 Ca -0.49 -0.43 -0.67 0.00 -0.87 0.00 0.00 66.00 63.54 2rpc h PRO 120 Cb 1.20 0.02 -0.37 0.00 0.13 0.00 0.00 31.00 31.97 2rpc h PRO 120 CO 0.65 1.07 -0.76 -0.06 -0.23 0.00 0.00 178.00 178.68 2rpc s PHE 121 N -4.38 3.42 -0.07 1.56 0.40 -0.89 -5.03 117.98 113.00 2rpc s PHE 121 Ca -0.12 -2.48 0.04 0.00 -0.60 0.00 0.00 56.93 53.77 2rpc s PHE 121 Cb 0.10 -2.28 -0.02 0.00 0.51 0.00 0.00 43.02 41.33 2rpc s PHE 121 CO 0.86 -0.90 -0.17 0.21 0.70 0.00 0.00 175.22 175.92 2rpc s LYS 122 N 1.06 2.72 -0.49 0.44 2.20 -1.26 0.76 119.74 125.18 2rpc s LYS 122 Ca -0.02 -0.76 -0.43 0.00 -0.36 0.00 0.00 55.97 54.40 2rpc s LYS 122 Cb -0.20 -2.37 -0.19 0.00 -1.51 0.00 0.00 37.83 33.57 2rpc s LYS 122 CO -0.05 0.45 2.05 0.00 -0.36 0.00 0.00 175.35 177.43 2rpc n GLU 124 N 7.06 0.05 -2.27 0.00 0.28 -1.26 -4.67 120.64 119.83 2rpc n GLU 124 Ca 0.52 0.38 -0.42 0.00 -0.16 0.00 0.00 57.16 57.48 2rpc n GLU 124 Cb -0.04 -1.61 -0.03 0.00 1.43 0.00 0.00 31.44 31.19 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 -3.11 2.69 0.70 -1.84 2.19 -1.26 -4.99 117.98 112.35 2rpc s PHE 125 Ca 0.04 0.79 -0.16 0.00 0.33 0.00 0.00 56.93 57.93 2rpc s PHE 125 Cb 0.07 -3.64 0.02 0.00 -1.31 0.00 0.00 43.02 38.16 2rpc s PHE 125 CO 0.21 -2.37 1.22 -1.83 1.83 0.00 0.00 175.22 174.28 2rpc s GLU 126 N 3.14 2.33 0.00 10.12 4.04 -1.26 -2.38 118.70 134.69 2rpc s GLU 126 Ca 0.62 1.81 0.00 0.00 0.04 0.00 0.00 54.97 57.44 2rpc s GLU 126 Cb -0.28 -1.85 0.00 0.00 0.02 0.00 0.00 34.13 32.02 2rpc s GLU 126 CO 0.22 -1.70 0.00 0.41 -1.84 0.00 0.00 175.26 172.36 2rpc n GLY 127 N 0.46 0.16 3.52 -3.83 0.00 -1.26 -4.96 105.19 99.27 2rpc n GLY 127 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.27 4.09 0.26 0.00 1.01 -1.26 -4.88 116.67 114.62 2rpc s ASP 129 Ca 0.15 -1.40 0.02 0.00 0.71 0.00 0.00 52.55 52.03 2rpc s ASP 129 Cb -0.11 -1.27 -0.01 0.00 1.01 0.00 0.00 42.92 42.54 2rpc s ASP 129 CO 0.05 -0.27 0.29 0.54 0.21 0.00 0.00 175.17 176.00 2rpc n ARG 130 N 4.59 0.42 -3.69 8.23 5.12 -1.26 -5.04 116.66 125.03 2rpc n ARG 130 Ca -0.09 -2.31 -0.11 0.00 -1.93 0.00 0.00 57.85 53.41 2rpc n ARG 130 Cb 0.43 2.06 -0.11 0.00 -1.16 0.00 0.00 32.46 33.67 2rpc n ARG 130 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2rpc s ARG 131 N -2.81 0.30 0.10 5.56 0.52 -1.26 -4.40 118.95 116.97 2rpc s ARG 131 Ca 0.26 0.78 0.01 0.00 -0.52 0.00 0.00 55.73 56.26 2rpc s ARG 131 Cb 0.00 0.02 -0.04 0.00 0.52 0.00 0.00 34.95 35.45 2rpc s ARG 131 CO 0.18 -0.19 -0.04 -0.06 0.02 0.00 0.00 175.30 175.21 2rpc s PHE 132 N 1.74 0.86 -0.00 -0.53 0.08 0.23 -5.00 117.98 115.36 2rpc s PHE 132 Ca -0.07 -0.97 0.00 0.00 0.12 0.00 0.00 56.93 56.01 2rpc s PHE 132 Cb -0.10 -0.51 -0.00 0.00 -0.57 0.00 0.00 43.02 41.84 2rpc s PHE 132 CO -0.11 -0.22 0.00 0.00 -0.10 0.00 0.00 175.22 174.79 2rpc n ALA 133 N -0.04 2.01 -3.21 5.36 0.00 -1.26 -2.09 120.51 121.28 2rpc n ALA 133 Ca -0.11 -0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.18 2rpc n ALA 133 Cb 0.61 -0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.09 0.20 0.57 0.00 2.20 -1.26 -4.79 114.94 110.77 2rpc s ASN 134 Ca 0.00 -0.01 0.30 0.00 -0.94 0.00 0.00 52.86 52.21 2rpc s ASN 134 Cb 0.00 -0.07 1.46 0.00 -2.00 0.00 0.00 41.25 40.63 2rpc s ASN 134 CO 0.00 -0.04 1.86 -1.28 -2.94 0.00 0.00 177.10 174.71 2rpc h SER 135 N 6.59 0.00 0.39 3.54 0.87 -1.98 -1.02 113.55 121.94 2rpc h SER 135 Ca -0.33 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.21 2rpc h SER 135 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2rpc h SER 135 CO 0.50 0.00 -0.19 0.28 -0.53 0.00 0.00 176.83 176.89 2rpc h SER 136 N 0.00 -0.44 -0.81 6.23 0.02 -1.98 -1.54 113.55 115.03 2rpc h SER 136 Ca 0.34 -0.13 0.07 0.00 -0.84 0.00 0.00 61.79 61.24 2rpc h SER 136 Cb 1.56 0.11 -0.06 0.00 0.14 0.00 0.00 62.40 64.15 2rpc h SER 136 CO -0.00 -0.08 0.48 0.44 -1.14 0.00 0.00 176.83 176.52 2rpc h ASP 137 N -0.84 0.72 -0.20 3.07 3.32 -1.63 -1.36 116.42 119.51 2rpc h ASP 137 Ca -0.05 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 2rpc h ASP 137 Cb 0.54 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 2rpc h ASP 137 CO 0.09 0.44 0.12 -0.09 -1.72 0.00 0.00 179.24 178.08 2rpc h ARG 138 N 0.85 0.27 0.00 3.56 2.43 -1.38 -1.56 114.38 118.54 2rpc h ARG 138 Ca 0.37 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 2rpc h ARG 138 Cb 0.25 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2rpc h ARG 138 CO -0.20 0.22 0.00 -0.22 -1.51 0.00 0.00 179.97 178.26 2rpc h LYS 139 N 0.24 0.00 0.00 0.20 1.63 -0.71 -1.25 116.57 116.68 2rpc h LYS 139 Ca 0.07 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.86 2rpc h LYS 139 Cb 0.02 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.65 2rpc h LYS 139 CO -0.01 0.00 -0.05 0.87 -3.45 0.00 0.00 179.45 176.81 2rpc h LYS 140 N 0.00 0.00 -0.01 1.90 1.57 -0.23 -3.10 116.57 116.70 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 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2rpc h LYS 140 CO 0.00 0.04 -0.11 1.58 -0.57 0.00 0.00 179.45 180.39 2rpc n HIS 141 N -3.10 0.00 0.12 -1.35 -0.00 -0.48 -3.66 115.22 106.74 2rpc n HIS 141 Ca 0.04 0.00 0.10 0.00 0.46 0.00 0.00 57.72 58.31 2rpc n HIS 141 Cb 0.55 -0.07 0.02 0.00 -0.12 0.00 0.00 29.99 30.37 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 1.61 0.00 -0.01 1.57 2.86 -1.55 -3.32 114.93 116.09 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 0.46 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.12 2rpc h MET 142 CO 0.00 0.06 0.20 0.45 1.06 0.00 0.00 176.91 178.68 2rpc h HIS 143 N 0.00 0.00 0.00 -0.22 3.86 -1.70 0.31 115.15 117.40 2rpc h HIS 143 Ca -0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2rpc h HIS 143 Cb 1.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.56 2rpc h HIS 143 CO 0.00 0.00 -1.54 1.55 0.86 0.00 0.00 177.93 178.80 2rpc n VAL 144 N -2.99 0.03 0.05 2.45 3.14 -1.25 -4.35 118.33 115.41 2rpc n VAL 144 Ca -0.02 -0.31 -0.20 0.00 -2.96 0.00 0.00 64.34 60.85 2rpc n VAL 144 Cb 0.26 0.35 -0.12 0.00 -1.06 0.00 0.00 33.84 33.26 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 0.89 -3.93 1.45 3.86 -0.54 -3.46 115.15 113.41 2rpc h HIS 145 Ca 0.00 -0.52 -0.53 0.00 -1.16 0.00 0.00 60.37 58.16 2rpc h HIS 145 Cb 0.81 -0.09 0.20 0.00 1.06 0.00 0.00 27.41 29.39 2rpc h HIS 145 CO 0.00 1.36 -0.02 -2.37 0.86 0.00 0.00 177.93 177.76 2rpc n THR 146 N -3.95 0.59 -1.99 2.45 5.66 -0.91 -4.83 114.28 111.30 2rpc n THR 146 Ca -0.12 -0.13 -0.39 0.00 -3.05 0.00 0.00 64.05 60.36 2rpc n THR 146 Cb 0.86 -0.92 -0.03 0.00 -1.55 0.00 0.00 70.33 68.69 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 -2.26 5.29 -0.28 1.09 0.01 -1.26 -4.89 113.70 111.39 2rpc s SER 147 Ca 0.65 0.55 -0.20 0.00 1.31 0.00 0.00 55.95 58.26 2rpc s SER 147 Cb -0.25 -2.53 0.13 0.00 0.21 0.00 0.00 66.02 63.58 2rpc s SER 147 CO 0.59 -2.32 0.96 1.51 0.41 0.00 0.00 173.24 174.39 2rpc s ASP 148 N 8.15 -0.54 -0.88 2.44 1.47 -1.26 -5.10 116.67 120.95 2rpc s ASP 148 Ca 0.72 0.93 -0.25 0.00 1.18 0.00 0.00 52.55 55.13 2rpc s ASP 148 Cb -0.14 1.11 0.02 0.00 -0.34 0.00 0.00 42.92 43.57 2rpc s ASP 148 CO 0.23 -0.15 1.53 -0.75 0.68 0.00 0.00 175.17 176.71 2rpc s LYS 149 N 0.92 3.21 0.46 2.11 2.36 -1.26 -4.94 119.74 122.59 2rpc s LYS 149 Ca -0.04 -0.56 0.03 0.00 -2.55 0.00 0.00 55.97 52.84 2rpc s LYS 149 Cb -0.04 -4.89 -0.01 0.00 -1.05 0.00 0.00 37.83 31.84 2rpc s LYS 149 CO -0.12 -2.45 0.10 0.45 1.55 0.00 0.00 175.35 174.89 2rpc s SER 150 N 5.48 3.33 0.00 1.43 0.15 -1.26 -5.08 113.70 117.75 2rpc s SER 150 Ca 0.49 -1.73 0.00 0.00 0.70 0.00 0.00 55.95 55.41 2rpc s SER 150 Cb -0.05 0.63 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 2rpc s SER 150 CO 0.02 -0.97 0.00 0.61 1.20 0.00 0.00 173.24 174.09 2rpc n GLY 151 N -1.08 0.90 0.22 9.45 0.00 -1.26 -5.01 105.19 108.42 2rpc n GLY 151 Ca -0.11 -0.52 0.15 0.00 0.00 0.00 0.00 46.02 45.54 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 0.00 0.00 -2.59 1.61 0.13 -2.05 -3.46 132.00 125.65 2rpc h PRO 152 Ca 0.00 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.26 2rpc h PRO 152 Cb 0.00 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.05 2rpc h PRO 152 CO 0.00 0.00 0.39 -1.54 -0.23 0.00 0.00 178.00 176.62 2rpc s SER 153 N -5.11 -0.24 -0.09 1.44 1.04 -1.26 -5.17 113.70 104.32 2rpc s SER 153 Ca 0.02 -0.43 0.01 0.00 0.48 0.00 0.00 55.95 56.03 2rpc s SER 153 Cb 0.09 0.57 -0.03 0.00 0.10 0.00 0.00 66.02 66.75 2rpc s SER 153 CO 0.48 -1.04 -0.10 -0.55 0.98 0.00 0.00 173.24 173.02 2rpc s SER 154 N -2.90 4.36 0.00 7.02 0.15 -1.26 -5.22 113.70 115.85 2rpc s SER 154 Ca 0.11 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.61 2rpc s SER 154 Cb -0.03 -1.26 0.00 0.00 -1.71 0.00 0.00 66.02 63.02 2rpc s SER 154 CO 0.02 0.29 0.16 0.61 1.20 0.00 0.00 173.24 175.52