#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 4.48 0.03 1.61 0.15 -1.26 -5.09 113.70 113.62 2rpc s SER 2 Ca 0.00 -0.23 -0.29 0.00 0.70 0.00 0.00 55.95 56.13 2rpc s SER 2 Cb 0.00 -1.72 0.10 0.00 -1.71 0.00 0.00 66.02 62.68 2rpc s SER 2 CO 0.00 0.13 1.07 -0.94 1.20 0.00 0.00 173.24 174.70 2rpc s SER 3 N 0.56 -0.18 -0.39 5.45 1.04 -1.26 -5.10 113.70 113.82 2rpc s SER 3 Ca -0.05 -0.19 0.09 0.00 0.48 0.00 0.00 55.95 56.28 2rpc s SER 3 Cb -0.15 0.33 0.29 0.00 0.10 0.00 0.00 66.02 66.59 2rpc s SER 3 CO 0.03 -0.59 0.61 0.61 0.98 0.00 0.00 173.24 174.87 2rpc n GLY 4 N -0.38 3.20 2.99 7.32 0.00 -1.26 -5.10 105.19 111.96 2rpc n GLY 4 Ca -0.06 -1.65 -0.10 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.69 0.35 1.11 1.61 0.01 -1.26 -5.16 113.70 108.68 2rpc s SER 5 Ca 0.37 -0.46 -0.13 0.00 1.31 0.00 0.00 55.95 57.04 2rpc s SER 5 Cb 0.24 0.08 0.20 0.00 0.21 0.00 0.00 66.02 66.74 2rpc s SER 5 CO -0.10 -0.25 0.44 -1.54 0.41 0.00 0.00 173.24 172.20 2rpc n SER 6 N 1.71 -2.98 -1.79 2.44 3.41 -1.26 -4.83 113.62 110.32 2rpc n SER 6 Ca -0.23 -0.45 -0.01 0.00 -0.26 0.00 0.00 58.87 57.93 2rpc n SER 6 Cb 0.55 -0.57 -0.01 0.00 -0.26 0.00 0.00 64.21 63.93 2rpc n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rpc n GLY 7 N -2.58 -4.25 3.81 5.00 0.00 -1.26 -5.05 105.19 100.87 2rpc n GLY 7 Ca 0.07 0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.16 2.98 0.00 1.61 -0.21 -1.26 -5.12 119.66 116.50 2rpc s GLN 8 Ca -0.05 -0.75 0.00 0.00 0.02 0.00 0.00 55.36 54.58 2rpc s GLN 8 Cb 0.00 -2.73 0.00 0.00 1.00 0.00 0.00 33.01 31.28 2rpc s GLN 8 CO 0.14 0.52 0.00 -0.35 -2.12 0.00 0.00 175.29 173.48 2rpc n PRO 9 N -0.05 -0.48 -3.61 2.91 -0.04 -1.26 -5.03 135.00 127.45 2rpc n PRO 9 Ca -0.08 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.00 2rpc n PRO 9 Cb 0.53 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.93 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 -0.73 5.17 -0.38 0.52 1.01 -1.26 -5.06 121.20 120.48 2rpc s ILE 10 Ca 0.00 0.64 -0.24 0.00 0.00 0.00 0.00 60.65 61.05 2rpc s ILE 10 Cb 0.00 -3.62 0.01 0.00 0.01 0.00 0.00 42.46 38.86 2rpc s ILE 10 CO 0.00 0.58 0.85 -1.59 0.00 0.00 0.00 174.94 174.77 2rpc s LYS 11 N -1.10 3.75 -0.10 2.79 -2.85 -1.26 -5.04 119.74 115.93 2rpc s LYS 11 Ca 0.22 0.37 -0.00 0.00 -1.00 0.00 0.00 55.97 55.56 2rpc s LYS 11 Cb -0.15 -3.82 -0.03 0.00 -2.06 0.00 0.00 37.83 31.77 2rpc s LYS 11 CO 0.11 -0.93 -0.07 -1.14 0.10 0.00 0.00 175.35 173.42 2rpc s GLN 12 N 3.30 3.04 -0.03 1.78 -0.44 -1.12 -5.06 119.66 121.12 2rpc s GLN 12 Ca 0.34 -0.55 -0.28 0.00 -2.50 0.00 0.00 55.36 52.36 2rpc s GLN 12 Cb -0.12 -2.67 -0.03 0.00 -1.64 0.00 0.00 33.01 28.54 2rpc s GLN 12 CO 0.19 0.52 0.92 -1.83 0.50 0.00 0.00 175.29 175.58 2rpc s GLU 13 N -0.41 4.51 0.21 1.67 -1.05 -1.26 -4.10 118.70 118.27 2rpc s GLU 13 Ca 0.06 1.29 0.07 0.00 -0.15 0.00 0.00 54.97 56.24 2rpc s GLU 13 Cb -0.12 -3.47 -0.04 0.00 -0.44 0.00 0.00 34.13 30.06 2rpc s GLU 13 CO 0.02 -0.06 0.09 -0.51 0.95 0.00 0.00 175.26 175.75 2rpc s LEU 14 N 1.09 3.56 0.02 1.83 1.43 -0.08 -4.96 118.68 121.57 2rpc s LEU 14 Ca 0.48 -0.32 0.07 0.00 -1.03 0.00 0.00 54.13 53.32 2rpc s LEU 14 Cb -0.20 -2.15 -0.02 0.00 0.03 0.00 0.00 46.19 43.85 2rpc s LEU 14 CO 0.24 0.04 -0.20 -0.44 0.23 0.00 0.00 176.35 176.22 2rpc s SER 15 N -3.35 2.36 -0.31 2.29 0.01 -1.26 -3.57 113.70 109.87 2rpc s SER 15 Ca 0.30 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.12 2rpc s SER 15 Cb -0.09 -0.22 0.10 0.00 0.21 0.00 0.00 66.02 66.02 2rpc s SER 15 CO 0.22 0.19 0.08 0.00 0.41 0.00 0.00 173.24 174.14 2rpc s LYS 17 N 1.46 3.12 -0.22 0.00 -0.14 -1.26 -4.37 119.74 118.33 2rpc s LYS 17 Ca 0.10 -1.36 -0.06 0.00 -1.36 0.00 0.00 55.97 53.28 2rpc s LYS 17 Cb -0.18 -4.32 -0.03 0.00 -1.68 0.00 0.00 37.83 31.62 2rpc s LYS 17 CO -0.21 -1.58 0.04 -0.46 -0.76 0.00 0.00 175.35 172.37 2rpc s TRP 18 N 2.71 3.08 -0.24 3.18 -0.11 -1.26 -3.69 118.94 122.61 2rpc s TRP 18 Ca 0.15 -0.39 0.02 0.00 1.22 0.00 0.00 56.10 57.09 2rpc s TRP 18 Cb -0.21 -2.15 0.05 0.00 -1.50 0.00 0.00 33.47 29.66 2rpc s TRP 18 CO 0.05 -0.25 -0.12 0.42 -4.62 0.00 0.00 176.95 172.43 2rpc s ILE 19 N 1.20 2.26 -0.04 5.86 1.01 -0.34 -2.12 121.20 129.03 2rpc s ILE 19 Ca 0.04 -1.41 -0.19 0.00 0.00 0.00 0.00 60.65 59.08 2rpc s ILE 19 Cb -0.14 -2.23 -0.05 0.00 0.01 0.00 0.00 42.46 40.05 2rpc s ILE 19 CO 0.02 0.11 0.55 -0.62 0.00 0.00 0.00 174.94 175.01 2rpc s ASP 20 N 1.17 6.88 0.50 3.58 2.15 -1.26 -4.34 116.67 125.36 2rpc s ASP 20 Ca -0.05 1.05 0.19 0.00 0.43 0.00 0.00 52.55 54.17 2rpc s ASP 20 Cb -0.18 -2.34 1.28 0.00 -0.30 0.00 0.00 42.92 41.38 2rpc s ASP 20 CO -0.06 0.08 2.10 -0.33 -0.17 0.00 0.00 175.17 176.79 2rpc h GLU 21 N 5.89 0.00 -0.77 4.34 4.39 -1.99 -1.12 114.58 125.32 2rpc h GLU 21 Ca -0.44 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.03 2rpc h GLU 21 Cb 1.20 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.71 2rpc h GLU 21 CO 0.71 0.08 0.28 0.00 -1.16 0.00 0.00 179.01 178.92 2rpc n ALA 22 N -2.46 4.60 -1.84 3.43 0.00 -1.26 -4.98 120.51 118.00 2rpc n ALA 22 Ca -0.03 -2.29 -0.42 0.00 0.00 0.00 0.00 53.44 50.70 2rpc n ALA 22 Cb 0.16 -1.26 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 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 -2.94 4.17 -0.01 0.00 -2.07 -0.42 -4.86 119.66 113.53 2rpc s GLN 23 Ca 0.54 2.45 0.04 0.00 -1.82 0.00 0.00 55.36 56.57 2rpc s GLN 23 Cb 0.43 -3.52 0.13 0.00 -1.09 0.00 0.00 33.01 28.96 2rpc s GLN 23 CO 0.13 -0.76 1.01 1.28 -1.32 0.00 0.00 175.29 175.63 2rpc n LEU 24 N 5.35 1.00 -4.15 2.60 7.99 -1.26 -4.73 117.00 123.79 2rpc n LEU 24 Ca 0.16 -0.50 -0.33 0.00 -0.01 0.00 0.00 56.01 55.33 2rpc n LEU 24 Cb 0.39 -0.20 -0.16 0.00 -0.11 0.00 0.00 43.42 43.34 2rpc n LEU 24 CO 0.64 0.21 -0.51 -0.94 -1.51 0.00 0.00 177.39 175.28 2rpc s SER 25 N -0.79 3.27 0.09 -1.43 1.04 -1.26 -5.12 113.70 109.50 2rpc s SER 25 Ca 0.09 -0.61 0.08 0.00 0.48 0.00 0.00 55.95 56.00 2rpc s SER 25 Cb 0.05 -1.51 -0.03 0.00 0.10 0.00 0.00 66.02 64.64 2rpc s SER 25 CO 0.05 0.01 -0.22 -0.13 0.98 0.00 0.00 173.24 173.94 2rpc s ARG 26 N 1.21 1.27 0.48 4.02 1.81 -1.26 -3.37 118.95 123.12 2rpc s ARG 26 Ca 0.03 -1.13 -0.22 0.00 -1.72 0.00 0.00 55.73 52.69 2rpc s ARG 26 Cb -0.14 -1.53 -0.07 0.00 -0.45 0.00 0.00 34.95 32.77 2rpc s ARG 26 CO -0.10 0.37 1.15 -1.25 -0.68 0.00 0.00 175.30 174.79 2rpc s PRO 27 N -1.70 3.66 -0.41 3.54 0.04 -1.26 -4.99 135.00 133.88 2rpc s PRO 27 Ca 0.08 1.73 -0.27 0.00 0.04 0.00 0.00 61.00 62.57 2rpc s PRO 27 Cb -0.10 -2.30 -0.13 0.00 0.04 0.00 0.00 34.50 32.01 2rpc s PRO 27 CO 0.04 -0.62 1.51 1.63 0.04 0.00 0.00 177.00 179.59 2rpc n LYS 28 N -0.70 0.00 -3.03 4.56 5.02 -1.22 -4.89 118.16 117.91 2rpc n LYS 28 Ca 0.08 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.19 2rpc n LYS 28 Cb 0.49 -0.99 0.03 0.00 -0.02 0.00 0.00 35.03 34.53 2rpc n LYS 28 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2rpc n LYS 29 N 5.13 0.75 -4.30 1.97 0.00 -1.25 -5.11 118.16 115.34 2rpc n LYS 29 Ca 0.38 -2.70 -0.30 0.00 -0.00 0.00 0.00 58.31 55.69 2rpc n LYS 29 Cb -0.02 0.06 -0.10 0.00 -0.00 0.00 0.00 35.03 34.97 2rpc n LYS 29 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2rpc s SER 30 N -3.80 4.28 0.95 -5.58 1.04 -1.26 -4.51 113.70 104.82 2rpc s SER 30 Ca 0.38 -0.39 -0.12 0.00 0.48 0.00 0.00 55.95 56.29 2rpc s SER 30 Cb -0.03 -0.79 0.07 0.00 0.10 0.00 0.00 66.02 65.37 2rpc s SER 30 CO 0.24 0.20 0.58 0.00 0.98 0.00 0.00 173.24 175.23 2rpc s ASP 32 N -2.16 3.66 -0.19 0.00 -1.08 -1.26 -4.66 116.67 110.97 2rpc s ASP 32 Ca 0.59 -0.75 -0.32 0.00 -0.52 0.00 0.00 52.55 51.56 2rpc s ASP 32 Cb -0.21 -1.56 0.15 0.00 -1.46 0.00 0.00 42.92 39.84 2rpc s ASP 32 CO 0.65 -0.05 1.17 -0.60 0.52 0.00 0.00 175.17 176.86 2rpc s ARG 33 N 1.30 0.36 0.04 4.34 6.06 -1.26 -5.12 118.95 124.67 2rpc s ARG 33 Ca 0.02 -0.02 -0.02 0.00 -2.50 0.00 0.00 55.73 53.22 2rpc s ARG 33 Cb -0.15 0.17 -0.03 0.00 0.06 0.00 0.00 34.95 35.00 2rpc s ARG 33 CO -0.09 -0.13 -0.00 0.95 -2.50 0.00 0.00 175.30 173.52 2rpc s THR 34 N -1.73 0.17 0.04 4.11 -4.23 -1.26 -4.31 115.64 108.43 2rpc s THR 34 Ca 0.06 -1.43 -0.15 0.00 -1.18 0.00 0.00 61.69 58.99 2rpc s THR 34 Cb -0.01 -1.07 0.02 0.00 1.34 0.00 0.00 72.50 72.79 2rpc s THR 34 CO -0.04 -0.79 0.32 -0.36 -0.54 0.00 0.00 174.62 173.21 2rpc s PHE 35 N -3.04 -0.14 -0.16 3.99 0.40 -1.23 -4.97 117.98 112.83 2rpc s PHE 35 Ca -0.01 0.04 0.14 0.00 -0.60 0.00 0.00 56.93 56.50 2rpc s PHE 35 Cb 0.01 0.12 -0.24 0.00 0.51 0.00 0.00 43.02 43.42 2rpc s PHE 35 CO -0.07 -0.50 0.23 -1.13 0.70 0.00 0.00 175.22 174.45 2rpc n SER 36 N 0.63 0.51 -4.58 1.36 3.41 -1.26 -0.91 113.62 112.78 2rpc n SER 36 Ca -0.19 0.12 -0.24 0.00 -0.26 0.00 0.00 58.87 58.30 2rpc n SER 36 Cb 0.59 0.49 -0.09 0.00 -0.26 0.00 0.00 64.21 64.94 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 -2.53 2.63 0.03 6.66 -4.23 -1.26 -2.79 115.64 114.16 2rpc s THR 37 Ca -0.11 -2.10 -0.28 0.00 -1.18 0.00 0.00 61.69 58.02 2rpc s THR 37 Cb 0.07 -2.67 -0.17 0.00 1.34 0.00 0.00 72.50 71.07 2rpc s THR 37 CO 0.81 -0.27 1.37 -0.03 -0.54 0.00 0.00 174.62 175.96 2rpc h MET 38 N 1.96 -0.64 -0.86 3.99 4.05 -1.93 -2.98 114.93 118.51 2rpc h MET 38 Ca -0.42 0.04 0.22 0.00 -0.28 0.00 0.00 59.70 59.26 2rpc h MET 38 Cb 1.25 0.15 -0.15 0.00 -0.80 0.00 0.00 31.60 32.05 2rpc h MET 38 CO 0.65 -0.35 0.04 0.45 0.23 0.00 0.00 176.91 177.93 2rpc h HIS 39 N -0.86 -0.00 -0.69 1.39 3.86 -1.99 0.43 115.15 117.28 2rpc h HIS 39 Ca -0.07 0.06 0.09 0.00 -1.16 0.00 0.00 60.37 59.29 2rpc h HIS 39 Cb 0.59 0.14 -0.07 0.00 1.06 0.00 0.00 27.41 29.13 2rpc h HIS 39 CO -0.00 -0.31 0.35 0.93 0.86 0.00 0.00 177.93 179.76 2rpc h GLU 40 N 0.09 0.59 -0.08 2.45 4.39 -1.96 -0.41 114.58 119.64 2rpc h GLU 40 Ca 0.50 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 60.16 2rpc h GLU 40 Cb 0.96 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.47 2rpc h GLU 40 CO -0.76 0.39 0.04 1.25 -1.16 0.00 0.00 179.01 178.76 2rpc h LEU 41 N 0.60 0.11 0.04 1.33 5.85 -0.04 -2.94 115.31 120.25 2rpc h LEU 41 Ca 0.33 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.94 2rpc h LEU 41 Cb 0.33 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 2rpc h LEU 41 CO -0.25 0.21 -0.17 0.58 -0.34 0.00 0.00 178.44 178.46 2rpc h VAL 42 N -0.00 0.59 -0.57 1.05 2.07 -0.70 -0.71 116.25 117.99 2rpc h VAL 42 Ca 0.03 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.71 2rpc h VAL 42 Cb 0.13 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 2rpc h VAL 42 CO -0.00 0.00 0.62 0.74 0.02 0.00 0.00 177.57 178.95 2rpc h THR 43 N -0.30 0.29 0.00 2.57 2.02 -1.04 0.20 112.91 116.65 2rpc h THR 43 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.22 2rpc h THR 43 Cb 0.35 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 2rpc h THR 43 CO -0.13 0.00 -0.11 -0.74 0.37 0.00 0.00 175.52 174.90 2rpc h HIS 44 N 0.00 0.00 -0.11 3.16 6.17 -1.00 -0.54 115.15 122.83 2rpc h HIS 44 Ca 0.27 0.00 0.03 0.00 0.71 0.00 0.00 60.37 61.38 2rpc h HIS 44 Cb 1.50 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 31.43 2rpc h HIS 44 CO 0.00 0.00 0.31 0.28 0.71 0.00 0.00 177.93 179.23 2rpc h VAL 45 N -0.71 0.13 0.00 5.26 2.07 -0.72 2.26 116.25 124.55 2rpc h VAL 45 Ca 0.00 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.40 2rpc h VAL 45 Cb 0.11 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 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 -3.18 1.48 -0.10 2.57 -1.04 0.67 -1.76 114.28 112.92 2rpc n THR 46 Ca 0.00 0.07 -0.21 0.00 -2.04 0.00 0.00 64.05 61.87 2rpc n THR 46 Cb 0.39 -2.23 -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 0.01 0.00 -2.82 2.86 -0.73 1.99 114.93 115.23 2rpc h MET 47 Ca -0.18 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 2rpc h MET 47 Cb 0.94 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.60 2rpc h MET 47 CO -0.11 1.01 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 0.73 -2.36 120.64 116.25 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 0.66 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 30.22 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 -0.23 0.78 -0.32 8.25 0.83 -4.81 115.22 118.92 2rpc n HIS 49 Ca 0.08 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.61 2rpc n HIS 49 Cb 0.04 0.30 0.39 0.00 1.12 0.00 0.00 29.99 31.83 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 -1.89 0.33 -4.59 1.59 0.31 0.27 -4.95 118.33 109.40 2rpc n VAL 50 Ca 0.00 0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 2rpc n VAL 50 Cb 0.00 -0.85 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 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 -0.09 -0.31 0.00 2.92 0.00 0.65 -4.84 105.19 103.53 2rpc n GLY 51 Ca 0.09 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 1.10 0.06 -0.02 0.00 -1.26 -3.41 105.19 101.66 2rpc n GLY 52 Ca 0.00 -1.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.01 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 0.03 -0.39 1.61 0.13 -1.96 -3.05 132.00 128.37 2rpc h PRO 53 Ca 0.00 -0.02 0.11 0.00 -0.87 0.00 0.00 66.00 65.23 2rpc h PRO 53 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.12 2rpc h PRO 53 CO 0.00 0.51 0.53 1.49 -0.23 0.00 0.00 178.00 180.30 2rpc h GLU 54 N -0.45 0.00 -5.50 0.86 4.22 -1.98 -3.40 114.58 108.32 2rpc h GLU 54 Ca 0.00 0.00 -0.55 0.00 0.08 0.00 0.00 59.36 58.89 2rpc h GLU 54 Cb 0.50 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 2rpc h GLU 54 CO 0.00 0.00 1.61 0.94 -2.18 0.00 0.00 179.01 179.38 2rpc n GLN 55 N -3.45 0.60 0.00 1.92 -0.06 -1.15 -4.85 117.38 110.39 2rpc n GLN 55 Ca 0.07 0.07 0.00 0.00 -2.00 0.00 0.00 57.00 55.14 2rpc n GLN 55 Cb 0.69 -2.35 0.00 0.00 -4.06 0.00 0.00 30.24 24.52 2rpc n GLN 55 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 2rpc n ASN 56 N 11.83 0.00 -4.53 1.69 2.85 -1.26 -4.33 115.26 121.50 2rpc n ASN 56 Ca 0.50 0.73 -0.41 0.00 -0.11 0.00 0.00 54.58 55.29 2rpc n ASN 56 Cb 0.24 -0.24 -0.03 0.00 1.24 0.00 0.00 39.78 40.98 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 -2.00 6.21 -0.38 1.20 2.47 -1.26 -4.98 114.94 116.20 2rpc s ASN 57 Ca 0.00 -0.68 -0.09 0.00 0.42 0.00 0.00 52.86 52.51 2rpc s ASN 57 Cb 0.00 -2.53 0.04 0.00 -1.45 0.00 0.00 41.25 37.31 2rpc s ASN 57 CO 0.00 -1.72 0.19 -1.38 -3.72 0.00 0.00 177.10 170.47 2rpc s HIS 58 N 5.32 3.27 0.00 0.43 -3.43 -1.26 -5.07 115.29 114.55 2rpc s HIS 58 Ca 0.34 -1.26 0.02 0.00 -0.80 0.00 0.00 55.06 53.36 2rpc s HIS 58 Cb -0.09 -2.52 -0.01 0.00 -1.43 0.00 0.00 32.58 28.53 2rpc s HIS 58 CO 0.11 -0.73 -0.06 0.08 -2.00 0.00 0.00 174.74 172.15 2rpc s VAL 59 N 1.47 0.44 -0.28 -5.38 1.01 -1.26 -4.57 120.40 111.84 2rpc s VAL 59 Ca 0.01 -0.34 -0.04 0.00 0.00 0.00 0.00 61.98 61.61 2rpc s VAL 59 Cb -0.20 -0.40 0.03 0.00 0.00 0.00 0.00 36.38 35.81 2rpc s VAL 59 CO 0.04 0.06 0.01 0.00 0.00 0.00 0.00 175.10 175.21 2rpc s TYR 61 N 1.37 3.53 0.16 0.00 1.51 -1.26 -4.39 117.35 118.27 2rpc s TYR 61 Ca -0.00 -2.44 -0.12 0.00 -1.01 0.00 0.00 57.07 53.49 2rpc s TYR 61 Cb -0.18 -3.25 -0.07 0.00 -0.11 0.00 0.00 41.96 38.36 2rpc s TYR 61 CO -0.01 -0.94 0.53 -0.46 -1.11 0.00 0.00 175.55 173.55 2rpc s TRP 62 N 0.85 3.55 0.53 2.71 -0.11 -1.26 -1.20 118.94 124.01 2rpc s TRP 62 Ca 0.10 0.97 0.28 0.00 1.22 0.00 0.00 56.10 58.67 2rpc s TRP 62 Cb -0.22 -2.31 0.97 0.00 -1.50 0.00 0.00 33.47 30.41 2rpc s TRP 62 CO -0.04 0.39 1.20 -1.91 -4.62 0.00 0.00 176.95 171.98 2rpc n GLU 63 N 0.54 0.01 -2.69 5.86 2.13 -1.24 -0.32 120.64 124.92 2rpc n GLU 63 Ca -0.04 0.92 -0.07 0.00 0.66 0.00 0.00 57.16 58.63 2rpc n GLU 63 Cb 0.52 -2.25 0.07 0.00 0.27 0.00 0.00 31.44 30.05 2rpc n GLU 63 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2rpc n GLU 64 N -3.17 1.24 -2.96 5.31 -0.00 -1.26 -5.05 120.64 114.75 2rpc n GLU 64 Ca 0.25 -2.64 -0.40 0.00 -0.00 0.00 0.00 57.16 54.38 2rpc n GLU 64 Cb 1.46 -0.74 -0.05 0.00 -0.00 0.00 0.00 31.44 32.11 2rpc n GLU 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2rpc h PRO 66 N 5.30 0.00 -0.23 0.00 0.13 -1.94 -2.94 132.00 132.32 2rpc h PRO 66 Ca -0.45 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.59 2rpc h PRO 66 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2rpc h PRO 66 CO 0.70 0.23 -0.25 0.00 -0.23 0.00 0.00 178.00 178.45 2rpc h ARG 67 N 0.00 0.44 -1.79 0.86 2.47 -1.90 -3.46 114.38 111.00 2rpc h ARG 67 Ca -0.00 -0.16 -0.29 0.00 -1.26 0.00 0.00 59.98 58.27 2rpc h ARG 67 Cb 0.66 -0.03 -0.09 0.00 -1.65 0.00 0.00 29.97 28.86 2rpc h ARG 67 CO 0.03 0.66 -0.28 0.39 0.56 0.00 0.00 179.97 181.33 2rpc n GLU 68 N -4.13 -1.47 0.00 0.04 1.02 -1.11 0.06 120.64 115.05 2rpc n GLU 68 Ca -0.00 0.80 0.00 0.00 -0.02 0.00 0.00 57.16 57.94 2rpc n GLU 68 Cb 0.39 -5.13 0.00 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 -0.38 2.06 3.52 0.62 0.00 -1.26 -5.03 105.19 104.72 2rpc n GLY 69 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.35 0.38 -0.14 1.61 4.01 0.11 -4.79 118.16 118.99 2rpc n LYS 70 Ca 0.00 -0.16 -0.18 0.00 -0.51 0.00 0.00 58.31 57.46 2rpc n LYS 70 Cb 0.00 -2.33 0.17 0.00 -0.51 0.00 0.00 35.03 32.36 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 12.42 -3.26 -4.55 4.39 3.41 -1.26 -4.90 113.62 119.87 2rpc n SER 71 Ca 0.55 -0.51 -0.25 0.00 -0.26 0.00 0.00 58.87 58.40 2rpc n SER 71 Cb 0.27 -0.59 -0.10 0.00 -0.26 0.00 0.00 64.21 63.53 2rpc n SER 71 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2rpc s PHE 72 N -1.64 2.42 -0.93 7.33 0.40 -1.26 -5.02 117.98 119.28 2rpc s PHE 72 Ca 0.39 -0.46 0.26 0.00 -0.60 0.00 0.00 56.93 56.52 2rpc s PHE 72 Cb -0.07 -1.34 1.04 0.00 0.51 0.00 0.00 43.02 43.16 2rpc s PHE 72 CO 0.33 0.59 1.81 1.63 0.70 0.00 0.00 175.22 180.27 2rpc n LYS 73 N -0.80 0.06 -4.03 0.44 4.76 -1.26 -4.87 118.16 112.46 2rpc n LYS 73 Ca -0.05 0.11 -0.10 0.00 -2.87 0.00 0.00 58.31 55.39 2rpc n LYS 73 Cb 0.63 -1.57 -0.05 0.00 -1.84 0.00 0.00 35.03 32.19 2rpc n LYS 73 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2rpc s ALA 74 N -3.03 0.08 -0.07 7.82 0.00 -1.26 -5.07 121.76 120.22 2rpc s ALA 74 Ca 0.12 -1.08 -0.21 0.00 0.00 0.00 0.00 51.96 50.79 2rpc s ALA 74 Cb 0.16 1.11 -0.17 0.00 0.00 0.00 0.00 23.12 24.22 2rpc s ALA 74 CO 0.48 -0.82 0.79 -0.22 0.00 0.00 0.00 175.76 175.99 2rpc h LYS 75 N 2.26 -0.12 -0.58 0.00 1.63 -2.00 -3.19 116.57 114.55 2rpc h LYS 75 Ca -0.28 0.01 0.16 0.00 -0.85 0.00 0.00 60.65 59.69 2rpc h LYS 75 Cb 1.25 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.88 2rpc h LYS 75 CO 0.38 0.39 0.41 0.10 -3.45 0.00 0.00 179.45 177.28 2rpc h TYR 76 N -0.88 0.08 -0.65 1.91 -0.00 -1.98 0.38 116.97 115.83 2rpc h TYR 76 Ca -0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 58.73 58.66 2rpc h TYR 76 Cb 0.57 -0.02 -0.03 0.00 -0.00 0.00 0.00 36.73 37.25 2rpc h TYR 76 CO 0.12 0.03 0.16 0.87 -0.00 0.00 0.00 178.16 179.33 2rpc h LYS 77 N 0.07 1.04 0.06 0.10 1.79 -1.98 -2.23 116.57 115.41 2rpc h LYS 77 Ca 0.28 -0.25 -0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2rpc h LYS 77 Cb 1.01 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.53 2rpc h LYS 77 CO -0.02 0.94 -0.03 1.25 -1.08 0.00 0.00 179.45 180.51 2rpc h LEU 78 N 0.96 -0.07 -0.84 2.94 5.85 -1.00 -3.05 115.31 120.11 2rpc h LEU 78 Ca 0.20 -0.44 0.20 0.00 0.84 0.00 0.00 57.88 58.68 2rpc h LEU 78 Cb 0.36 0.02 -0.15 0.00 0.37 0.00 0.00 40.66 41.26 2rpc h LEU 78 CO 0.00 0.62 -0.01 0.58 -0.34 0.00 0.00 178.44 179.29 2rpc h VAL 79 N -0.96 0.22 -0.61 1.05 2.07 -1.11 0.57 116.25 117.48 2rpc h VAL 79 Ca -0.01 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 2rpc h VAL 79 Cb 0.51 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 2rpc h VAL 79 CO 0.01 0.01 0.19 -1.13 0.02 0.00 0.00 177.57 176.67 2rpc h ASN 80 N 0.07 0.86 -0.27 0.57 -1.24 -1.52 -2.35 115.58 111.70 2rpc h ASN 80 Ca 0.47 -0.14 -0.02 0.00 0.71 0.00 0.00 56.30 57.32 2rpc h ASN 80 Cb 0.86 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.67 2rpc h ASN 80 CO -0.77 0.81 0.12 -0.74 -1.29 0.00 0.00 177.43 175.56 2rpc h HIS 81 N 0.90 0.45 -0.10 0.67 2.76 0.21 -1.79 115.15 118.25 2rpc h HIS 81 Ca 0.20 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.32 2rpc h HIS 81 Cb 0.26 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.07 2rpc h HIS 81 CO 0.02 0.37 -0.11 0.82 -1.30 0.00 0.00 177.93 177.72 2rpc h ILE 82 N 0.45 1.14 0.00 6.26 2.04 -0.68 -1.59 117.51 125.13 2rpc h ILE 82 Ca 0.11 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.35 2rpc h ILE 82 Cb 0.12 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 2rpc h ILE 82 CO -0.01 0.19 0.00 0.03 0.00 0.00 0.00 178.15 178.36 2rpc h ARG 83 N 0.14 0.00 0.00 2.37 2.47 -1.31 0.16 114.38 118.21 2rpc h ARG 83 Ca 0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2rpc h ARG 83 Cb 0.30 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.62 2rpc h ARG 83 CO 0.02 0.00 -0.15 1.33 0.56 0.00 0.00 179.97 181.73 2rpc n VAL 84 N -2.40 0.17 0.80 2.04 0.24 -0.60 -3.24 118.33 115.34 2rpc n VAL 84 Ca -0.02 -0.09 0.11 0.00 -2.04 0.00 0.00 64.34 62.30 2rpc n VAL 84 Cb 0.05 -0.35 -0.01 0.00 -1.47 0.00 0.00 33.84 32.06 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 -1.73 0.08 0.00 6.34 8.25 0.55 -3.91 115.22 124.80 2rpc n HIS 85 Ca 0.06 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 2rpc n HIS 85 Cb 0.37 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.27 2rpc n HIS 85 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2rpc n THR 86 N -1.69 0.00 0.39 1.59 -2.24 -1.20 -3.92 114.28 107.22 2rpc n THR 86 Ca 0.03 0.33 0.03 0.00 -2.27 0.00 0.00 64.05 62.17 2rpc n THR 86 Cb 0.38 -0.80 0.19 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 1.90 -0.21 3.76 3.38 0.00 -1.26 -4.75 105.19 108.03 2rpc n GLY 87 Ca 0.00 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.02 3.25 0.32 1.61 2.56 -1.25 -5.04 118.70 118.14 2rpc s GLU 88 Ca 0.09 1.74 0.02 0.00 0.00 0.00 0.00 54.97 56.82 2rpc s GLU 88 Cb 0.04 -2.04 -0.03 0.00 2.00 0.00 0.00 34.13 34.11 2rpc s GLU 88 CO 0.07 -0.96 0.50 0.15 -0.56 0.00 0.00 175.26 174.47 2rpc s LYS 89 N -3.21 3.45 -0.02 4.30 1.02 -1.26 -5.03 119.74 118.99 2rpc s LYS 89 Ca 0.73 -0.46 -0.24 0.00 0.02 0.00 0.00 55.97 56.02 2rpc s LYS 89 Cb -0.28 -2.72 -0.18 0.00 -0.52 0.00 0.00 37.83 34.13 2rpc s LYS 89 CO 0.31 0.20 1.17 -1.00 -0.92 0.00 0.00 175.35 175.11 2rpc h PRO 90 N 0.84 -0.15 -2.28 -1.68 0.13 -1.86 -3.47 132.00 123.53 2rpc h PRO 90 Ca -0.50 0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.57 2rpc h PRO 90 Cb 1.22 0.03 -0.22 0.00 0.13 0.00 0.00 31.00 32.16 2rpc h PRO 90 CO 0.61 0.28 -0.02 -0.59 -0.23 0.00 0.00 178.00 178.04 2rpc s PHE 91 N -4.16 -0.69 0.00 1.56 -0.12 -1.26 -5.15 117.98 108.16 2rpc s PHE 91 Ca -0.15 1.63 0.00 0.00 -0.05 0.00 0.00 56.93 58.37 2rpc s PHE 91 Cb 0.01 0.26 0.00 0.00 -0.63 0.00 0.00 43.02 42.67 2rpc s PHE 91 CO 0.59 -0.33 0.00 -0.35 -0.05 0.00 0.00 175.22 175.08 2rpc n PRO 92 N 2.96 0.26 -3.30 1.99 -0.04 -1.26 -4.18 135.00 131.43 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 2.96 0.49 -3.44 0.00 -0.04 -1.26 -4.68 135.00 129.02 2rpc n PRO 94 Ca -0.08 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 32.47 2rpc n PRO 94 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2rpc s PHE 95 N -2.00 3.43 0.04 0.54 2.19 -1.26 -5.05 117.98 115.86 2rpc s PHE 95 Ca 0.20 0.64 -0.30 0.00 0.33 0.00 0.00 56.93 57.79 2rpc s PHE 95 Cb 0.09 -2.45 -0.06 0.00 -1.31 0.00 0.00 43.02 39.29 2rpc s PHE 95 CO 0.15 0.11 1.42 -1.25 1.83 0.00 0.00 175.22 177.49 2rpc s PRO 96 N 0.87 4.29 0.00 10.12 0.04 -1.26 -2.45 135.00 146.61 2rpc s PRO 96 Ca 0.19 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.25 2rpc s PRO 96 Cb -0.14 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 30.91 2rpc s PRO 96 CO 0.07 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 176.97 2rpc n GLY 97 N 3.63 1.32 0.10 0.56 0.00 -1.26 -4.58 105.19 104.97 2rpc n GLY 97 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 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 1.31 -0.37 3.90 0.00 0.00 -1.26 -4.85 105.19 103.93 2rpc n GLY 99 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.85 3.53 0.01 1.61 2.47 -1.26 -4.93 119.74 117.32 2rpc s LYS 100 Ca 0.00 -0.20 -0.03 0.00 -1.56 0.00 0.00 55.97 54.18 2rpc s LYS 100 Cb 0.00 -3.04 -0.01 0.00 -1.46 0.00 0.00 37.83 33.32 2rpc s LYS 100 CO 0.00 0.62 0.04 0.42 0.16 0.00 0.00 175.35 176.59 2rpc s ILE 101 N -1.40 0.08 -0.08 5.43 1.01 -1.26 0.15 121.20 125.13 2rpc s ILE 101 Ca 0.31 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 60.26 2rpc s ILE 101 Cb -0.13 -0.29 0.02 0.00 0.01 0.00 0.00 42.46 42.07 2rpc s ILE 101 CO 0.20 -0.38 -0.07 -0.36 0.00 0.00 0.00 174.94 174.33 2rpc s PHE 102 N -1.21 1.21 -0.33 3.97 0.40 -1.26 -5.00 117.98 115.76 2rpc s PHE 102 Ca -0.13 -0.50 0.21 0.00 -0.60 0.00 0.00 56.93 55.90 2rpc s PHE 102 Cb -0.08 -1.02 1.04 0.00 0.51 0.00 0.00 43.02 43.47 2rpc s PHE 102 CO 0.00 -0.37 1.63 0.00 0.70 0.00 0.00 175.22 177.17 2rpc n ALA 103 N 4.58 1.20 -2.92 5.36 0.00 -1.26 -4.51 120.51 122.96 2rpc n ALA 103 Ca -0.16 0.16 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 2rpc n ALA 103 Cb 0.51 -1.31 -0.12 0.00 0.00 0.00 0.00 19.45 18.52 2rpc n ALA 103 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2rpc s ARG 104 N -3.45 3.50 0.22 0.00 0.52 -1.26 -4.76 118.95 113.72 2rpc s ARG 104 Ca -0.00 -0.55 -0.07 0.00 -0.52 0.00 0.00 55.73 54.58 2rpc s ARG 104 Cb 0.07 -2.83 0.17 0.00 0.52 0.00 0.00 34.95 32.88 2rpc s ARG 104 CO 0.23 0.30 1.79 0.77 0.02 0.00 0.00 175.30 178.41 2rpc h SER 105 N 6.49 1.10 0.08 0.23 0.02 -1.99 -2.26 113.55 117.23 2rpc h SER 105 Ca -0.33 -0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 60.41 2rpc h SER 105 Cb 1.19 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 2rpc h SER 105 CO 0.60 0.97 -0.15 -0.08 -1.14 0.00 0.00 176.83 177.03 2rpc h GLU 106 N 1.17 0.16 -0.33 3.45 4.81 -1.95 -2.40 114.58 119.49 2rpc h GLU 106 Ca 0.27 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.34 2rpc h GLU 106 Cb 0.21 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 2rpc h GLU 106 CO -0.02 0.32 -0.30 -0.91 -0.73 0.00 0.00 179.01 177.37 2rpc h ASN 107 N 0.15 0.72 0.07 1.04 4.21 -1.79 -2.35 115.58 117.62 2rpc h ASN 107 Ca 0.03 -0.28 -0.00 0.00 1.21 0.00 0.00 56.30 57.25 2rpc h ASN 107 Cb 0.37 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 37.37 2rpc h ASN 107 CO 0.02 0.97 -0.03 0.25 -1.29 0.00 0.00 177.43 177.35 2rpc h LEU 108 N 0.60 -0.08 -0.24 1.61 5.85 -1.17 -1.18 115.31 120.70 2rpc h LEU 108 Ca 0.07 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.54 2rpc h LEU 108 Cb 0.81 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.81 2rpc h LEU 108 CO 0.07 0.26 -0.03 0.11 -0.34 0.00 0.00 178.44 178.51 2rpc h LYS 109 N -0.42 0.03 0.00 1.25 1.57 -1.48 0.34 116.57 117.87 2rpc h LYS 109 Ca -0.01 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 2rpc h LYS 109 Cb 0.37 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 2rpc h LYS 109 CO 0.01 0.02 -0.13 0.82 -0.57 0.00 0.00 179.45 179.61 2rpc h ILE 110 N 0.03 0.68 0.03 1.86 2.04 -1.43 -1.69 117.51 119.03 2rpc h ILE 110 Ca 0.11 -0.53 -0.24 0.00 1.00 0.00 0.00 64.86 65.20 2rpc h ILE 110 Cb 0.16 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 2rpc h ILE 110 CO -0.22 0.13 -1.19 -0.74 0.00 0.00 0.00 178.15 176.12 2rpc h HIS 111 N 0.00 0.12 -0.09 1.37 2.76 0.15 -3.31 115.15 116.15 2rpc h HIS 111 Ca -0.00 -0.09 -0.20 0.00 -2.20 0.00 0.00 60.37 57.88 2rpc h HIS 111 Cb 0.32 -0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.27 2rpc h HIS 111 CO 0.00 1.08 -0.76 0.87 -1.30 0.00 0.00 177.93 177.83 2rpc h LYS 112 N 0.02 0.51 -0.71 5.26 1.57 0.24 -3.15 116.57 120.30 2rpc h LYS 112 Ca -0.09 -0.42 0.04 0.00 -1.87 0.00 0.00 60.65 58.31 2rpc h LYS 112 Cb 1.86 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 34.22 2rpc h LYS 112 CO 0.14 1.05 0.47 0.07 -0.57 0.00 0.00 179.45 180.61 2rpc h ARG 113 N 0.34 0.81 0.00 3.15 0.11 -1.42 -0.42 114.38 116.95 2rpc h ARG 113 Ca -0.04 -0.05 -0.04 0.00 0.10 0.00 0.00 59.98 59.95 2rpc h ARG 113 Cb 1.35 -0.18 -0.01 0.00 1.11 0.00 0.00 29.97 32.24 2rpc h ARG 113 CO 0.14 0.53 -0.20 0.00 0.10 0.00 0.00 179.97 180.54 2rpc h THR 114 N 0.83 0.46 0.00 0.08 1.03 -1.63 -2.75 112.91 110.94 2rpc h THR 114 Ca 0.29 -1.15 0.00 0.00 -0.01 0.00 0.00 66.41 65.54 2rpc h THR 114 Cb 0.11 1.82 0.00 0.00 -1.07 0.00 0.00 68.15 69.01 2rpc h THR 114 CO -0.09 0.20 0.00 1.41 -0.01 0.00 0.00 175.52 177.03 2rpc n HIS 115 N -3.31 0.00 -2.49 0.00 8.25 -0.17 -4.84 115.22 112.67 2rpc n HIS 115 Ca 0.01 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.42 2rpc n HIS 115 Cb 0.45 -0.33 -0.00 0.00 1.12 0.00 0.00 29.99 31.23 2rpc n HIS 115 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 2rpc n THR 116 N -1.33 -0.20 -4.19 1.59 5.66 -1.04 -1.45 114.28 113.31 2rpc n THR 116 Ca 0.07 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.76 2rpc n THR 116 Cb 0.14 -0.61 -0.08 0.00 -1.55 0.00 0.00 70.33 68.23 2rpc n THR 116 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2rpc n GLY 117 N -0.61 -0.19 3.18 1.09 0.00 -1.26 -4.92 105.19 102.48 2rpc n GLY 117 Ca -0.05 0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -7.15 2.89 -0.04 1.61 2.12 -0.53 -5.13 118.70 112.48 2rpc s GLU 118 Ca 0.05 -0.82 -0.05 0.00 0.36 0.00 0.00 54.97 54.51 2rpc s GLU 118 Cb -0.03 -2.25 -0.04 0.00 0.26 0.00 0.00 34.13 32.07 2rpc s GLU 118 CO 0.94 0.10 0.20 0.15 -0.54 0.00 0.00 175.26 176.11 2rpc s LYS 119 N 0.54 3.50 0.07 4.30 3.01 -1.26 -5.02 119.74 124.87 2rpc s LYS 119 Ca -0.15 -0.17 -0.17 0.00 -1.01 0.00 0.00 55.97 54.47 2rpc s LYS 119 Cb -0.17 -3.12 -0.11 0.00 -1.01 0.00 0.00 37.83 33.42 2rpc s LYS 119 CO 0.05 0.70 1.39 -1.00 0.51 0.00 0.00 175.35 177.00 2rpc h PRO 120 N 4.24 0.55 -4.62 -1.68 0.13 -1.93 -3.44 132.00 125.25 2rpc h PRO 120 Ca -0.51 -0.29 -0.53 0.00 -0.87 0.00 0.00 66.00 63.80 2rpc h PRO 120 Cb 1.20 0.01 -0.33 0.00 0.13 0.00 0.00 31.00 32.01 2rpc h PRO 120 CO 0.65 0.87 -0.82 -0.06 -0.23 0.00 0.00 178.00 178.41 2rpc s PHE 121 N -4.34 1.58 -0.09 1.56 0.40 -0.83 -5.04 117.98 111.21 2rpc s PHE 121 Ca -0.13 -0.60 0.04 0.00 -0.60 0.00 0.00 56.93 55.64 2rpc s PHE 121 Cb 0.07 -1.14 0.00 0.00 0.51 0.00 0.00 43.02 42.46 2rpc s PHE 121 CO 0.79 -0.30 -0.20 0.21 0.70 0.00 0.00 175.22 176.42 2rpc s LYS 122 N 0.66 2.57 -0.12 0.44 2.20 -1.26 -1.17 119.74 123.06 2rpc s LYS 122 Ca -0.15 -0.73 -0.41 0.00 -0.36 0.00 0.00 55.97 54.33 2rpc s LYS 122 Cb -0.16 -1.99 -0.19 0.00 -1.51 0.00 0.00 37.83 33.98 2rpc s LYS 122 CO 0.04 0.14 1.25 0.00 -0.36 0.00 0.00 175.35 176.42 2rpc n GLU 124 N 2.35 0.28 -2.22 0.00 1.02 -1.26 -4.80 120.64 116.00 2rpc n GLU 124 Ca 0.23 0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.95 2rpc n GLU 124 Cb 0.06 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.95 2rpc n GLU 124 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2rpc s PHE 125 N -2.72 2.53 0.38 -0.32 5.36 -1.26 -4.97 117.98 116.98 2rpc s PHE 125 Ca 0.23 0.66 -0.28 0.00 -0.96 0.00 0.00 56.93 56.59 2rpc s PHE 125 Cb 0.20 -3.69 -0.10 0.00 -0.34 0.00 0.00 43.02 39.08 2rpc s PHE 125 CO 0.48 -2.67 1.42 -2.00 -1.46 0.00 0.00 175.22 170.99 2rpc s GLU 126 N 3.42 4.11 -1.24 10.12 2.56 -1.26 -2.24 118.70 134.17 2rpc s GLU 126 Ca 0.64 2.43 0.00 0.00 0.00 0.00 0.00 54.97 58.04 2rpc s GLU 126 Cb -0.28 -2.94 0.00 0.00 2.00 0.00 0.00 34.13 32.91 2rpc s GLU 126 CO 0.23 -0.48 0.00 0.41 -0.56 0.00 0.00 175.26 174.86 2rpc n GLY 127 N 0.57 1.00 3.30 -1.50 0.00 -1.26 -5.00 105.19 102.30 2rpc n GLY 127 Ca 0.01 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.44 4.80 0.31 0.00 -1.08 -1.26 -4.88 116.67 114.13 2rpc s ASP 129 Ca 0.05 -1.64 -0.09 0.00 -0.52 0.00 0.00 52.55 50.35 2rpc s ASP 129 Cb -0.11 -1.67 0.01 0.00 -1.46 0.00 0.00 42.92 39.69 2rpc s ASP 129 CO 0.01 -0.32 0.54 -0.13 0.52 0.00 0.00 175.17 175.79 2rpc s ARG 130 N 1.11 1.83 -0.05 4.34 1.81 -1.26 -5.08 118.95 121.65 2rpc s ARG 130 Ca -0.00 -1.50 -0.04 0.00 -1.72 0.00 0.00 55.73 52.47 2rpc s ARG 130 Cb -0.20 0.49 0.02 0.00 -0.45 0.00 0.00 34.95 34.80 2rpc s ARG 130 CO -0.04 -0.78 0.14 1.03 -0.68 0.00 0.00 175.30 174.96 2rpc s ARG 131 N -3.30 0.15 0.04 3.54 0.52 -1.26 -4.20 118.95 114.44 2rpc s ARG 131 Ca 0.24 0.22 0.01 0.00 -0.52 0.00 0.00 55.73 55.68 2rpc s ARG 131 Cb -0.01 0.03 -0.03 0.00 0.52 0.00 0.00 34.95 35.46 2rpc s ARG 131 CO 0.14 -0.04 -0.05 -0.06 0.02 0.00 0.00 175.30 175.31 2rpc s PHE 132 N 0.25 0.52 -0.20 -0.53 0.08 -0.31 -4.99 117.98 112.80 2rpc s PHE 132 Ca -0.02 -0.69 0.03 0.00 0.12 0.00 0.00 56.93 56.38 2rpc s PHE 132 Cb -0.03 -0.34 -0.02 0.00 -0.57 0.00 0.00 43.02 42.07 2rpc s PHE 132 CO -0.01 -0.19 0.23 0.00 -0.10 0.00 0.00 175.22 175.15 2rpc n ALA 133 N 1.01 2.41 -3.68 5.36 0.00 -1.26 -1.97 120.51 122.38 2rpc n ALA 133 Ca -0.20 -0.18 -0.16 0.00 0.00 0.00 0.00 53.44 52.89 2rpc n ALA 133 Cb 0.57 -0.11 -0.16 0.00 0.00 0.00 0.00 19.45 19.75 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 -1.05 0.33 0.63 0.00 2.20 -1.26 -4.90 114.94 110.88 2rpc s ASN 134 Ca 0.02 -0.01 0.28 0.00 -0.94 0.00 0.00 52.86 52.20 2rpc s ASN 134 Cb 0.02 -0.18 1.46 0.00 -2.00 0.00 0.00 41.25 40.56 2rpc s ASN 134 CO 0.10 -0.10 1.85 0.77 -2.94 0.00 0.00 177.10 176.79 2rpc h SER 135 N 7.20 0.00 -0.04 3.54 4.64 -2.00 0.96 113.55 127.84 2rpc h SER 135 Ca -0.43 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.77 2rpc h SER 135 Cb 1.13 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.23 2rpc h SER 135 CO 0.48 0.00 -0.44 0.28 -0.87 0.00 0.00 176.83 176.28 2rpc h SER 136 N 0.00 0.46 -0.73 4.97 0.02 -1.99 -2.94 113.55 113.35 2rpc h SER 136 Ca 0.12 -0.71 -0.05 0.00 -0.84 0.00 0.00 61.79 60.31 2rpc h SER 136 Cb 1.03 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.40 2rpc h SER 136 CO -0.00 1.10 0.24 0.44 -1.14 0.00 0.00 176.83 177.47 2rpc h ASP 137 N -0.14 1.05 0.68 3.07 5.19 -1.25 -2.35 116.42 122.67 2rpc h ASP 137 Ca -0.04 -0.20 -0.03 0.00 -0.62 0.00 0.00 57.03 56.14 2rpc h ASP 137 Cb 1.13 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 40.37 2rpc h ASP 137 CO 0.09 0.97 -0.40 -0.09 -3.12 0.00 0.00 179.24 176.69 2rpc h ARG 138 N 1.07 -0.97 0.00 3.56 2.43 -1.46 -1.60 114.38 117.40 2rpc h ARG 138 Ca 0.24 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 2rpc h ARG 138 Cb 0.28 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2rpc h ARG 138 CO -0.01 -0.65 0.08 -0.22 -1.51 0.00 0.00 179.97 177.66 2rpc h LYS 139 N -1.01 0.00 0.00 0.20 3.64 -1.49 0.24 116.57 118.16 2rpc h LYS 139 Ca -0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2rpc h LYS 139 Cb 0.80 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 2rpc h LYS 139 CO 0.10 0.00 -0.14 0.87 -2.27 0.00 0.00 179.45 178.01 2rpc h LYS 140 N 0.00 0.00 -0.01 1.90 1.57 -0.75 -3.14 116.57 116.15 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 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2rpc h LYS 140 CO 0.00 0.00 -0.04 1.58 -0.57 0.00 0.00 179.45 180.42 2rpc n HIS 141 N -2.94 0.00 0.10 -1.35 -0.00 0.85 -3.41 115.22 108.46 2rpc n HIS 141 Ca 0.04 0.00 0.07 0.00 0.46 0.00 0.00 57.72 58.28 2rpc n HIS 141 Cb 0.52 -0.07 -0.01 0.00 -0.12 0.00 0.00 29.99 30.31 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 0.91 0.00 -0.07 1.57 2.86 -1.57 -3.33 114.93 115.31 2rpc h MET 142 Ca 0.00 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.66 2rpc h MET 142 Cb 0.29 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 2rpc h MET 142 CO 0.00 0.15 0.27 1.12 1.06 0.00 0.00 176.91 179.52 2rpc h HIS 143 N 0.00 0.00 0.00 -0.22 -0.00 -1.73 0.46 115.15 113.66 2rpc h HIS 143 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.31 2rpc h HIS 143 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.65 2rpc h HIS 143 CO 0.00 0.00 -1.39 1.55 -0.00 0.00 0.00 177.93 178.09 2rpc n VAL 144 N -3.12 0.03 0.11 6.12 3.14 -1.25 -4.20 118.33 119.16 2rpc n VAL 144 Ca -0.01 -0.24 -0.01 0.00 -2.96 0.00 0.00 64.34 61.13 2rpc n VAL 144 Cb 0.35 0.47 -0.01 0.00 -1.06 0.00 0.00 33.84 33.59 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 0.00 0.00 1.45 3.86 -0.24 -3.31 115.15 116.91 2rpc h HIS 145 Ca 0.00 0.00 -0.45 0.00 -1.16 0.00 0.00 60.37 58.76 2rpc h HIS 145 Cb 0.74 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.22 2rpc h HIS 145 CO 0.00 0.67 2.62 2.41 0.86 0.00 0.00 177.93 184.48 2rpc n THR 146 N -3.29 3.16 -3.98 2.45 -1.04 -0.93 -4.60 114.28 106.05 2rpc n THR 146 Ca 0.01 -1.84 -0.29 0.00 -2.04 0.00 0.00 64.05 59.89 2rpc n THR 146 Cb 0.79 -2.28 -0.08 0.00 -1.82 0.00 0.00 70.33 66.95 2rpc n THR 146 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2rpc n SER 147 N 3.68 -0.04 -4.28 8.00 7.64 -1.26 -4.89 113.62 122.47 2rpc n SER 147 Ca 0.56 -1.03 -0.15 0.00 1.01 0.00 0.00 58.87 59.26 2rpc n SER 147 Cb 0.27 -1.29 -0.10 0.00 -1.01 0.00 0.00 64.21 62.08 2rpc n SER 147 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2rpc s ASP 148 N -3.66 1.07 -0.02 6.43 1.01 -1.25 -5.13 116.67 115.13 2rpc s ASP 148 Ca 0.25 -1.32 0.02 0.00 0.71 0.00 0.00 52.55 52.20 2rpc s ASP 148 Cb -0.14 0.17 0.00 0.00 1.01 0.00 0.00 42.92 43.96 2rpc s ASP 148 CO 0.82 -0.70 -0.06 -0.75 0.21 0.00 0.00 175.17 174.69 2rpc s LYS 149 N -4.01 0.66 0.38 8.23 2.20 -1.26 -4.60 119.74 121.33 2rpc s LYS 149 Ca 0.34 -0.22 0.05 0.00 -0.36 0.00 0.00 55.97 55.78 2rpc s LYS 149 Cb 0.07 -0.65 -0.06 0.00 -1.51 0.00 0.00 37.83 35.68 2rpc s LYS 149 CO 0.11 0.09 0.04 0.45 -0.36 0.00 0.00 175.35 175.67 2rpc s SER 150 N 0.14 3.12 0.13 1.43 0.15 -1.26 -5.06 113.70 112.35 2rpc s SER 150 Ca -0.02 -1.41 0.02 0.00 0.70 0.00 0.00 55.95 55.24 2rpc s SER 150 Cb -0.06 -0.14 -0.01 0.00 -1.71 0.00 0.00 66.02 64.10 2rpc s SER 150 CO -0.00 -0.58 0.07 0.61 1.20 0.00 0.00 173.24 174.54 2rpc n GLY 151 N -0.85 3.75 3.67 9.45 0.00 -1.26 -5.16 105.19 114.79 2rpc n GLY 151 Ca -0.05 -1.90 -0.29 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.52 0.24 -0.45 1.61 0.04 -1.26 -5.05 135.00 127.62 2rpc s PRO 152 Ca 0.09 0.46 0.02 0.00 0.04 0.00 0.00 61.00 61.62 2rpc s PRO 152 Cb 0.00 -1.72 0.15 0.00 0.04 0.00 0.00 34.50 32.97 2rpc s PRO 152 CO 0.07 -2.85 0.28 -1.12 0.04 0.00 0.00 177.00 173.42 2rpc s SER 153 N -3.47 3.24 -0.20 6.66 0.01 -1.26 -4.95 113.70 113.73 2rpc s SER 153 Ca 0.66 -2.75 -0.15 0.00 1.31 0.00 0.00 55.95 55.02 2rpc s SER 153 Cb -0.18 -0.87 -0.08 0.00 0.21 0.00 0.00 66.02 65.10 2rpc s SER 153 CO 0.58 -0.24 -0.32 -1.20 0.41 0.00 0.00 173.24 172.47 2rpc n SER 154 N 3.35 1.81 0.00 2.44 7.64 -1.26 -5.39 113.62 122.21 2rpc n SER 154 Ca 0.14 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.33 2rpc n SER 154 Cb 0.37 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 2rpc n SER 154 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64