#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rpc s SER 2 N 0.00 0.26 0.11 1.61 0.15 -1.26 -5.18 113.70 109.40 2rpc s SER 2 Ca 0.00 -1.01 -0.25 0.00 0.70 0.00 0.00 55.95 55.39 2rpc s SER 2 Cb 0.00 0.31 0.08 0.00 -1.71 0.00 0.00 66.02 64.70 2rpc s SER 2 CO 0.00 -0.74 0.66 -0.94 1.20 0.00 0.00 173.24 173.42 2rpc s SER 3 N -2.98 -0.55 0.33 5.45 1.04 -1.26 -5.18 113.70 110.55 2rpc s SER 3 Ca 0.16 0.09 0.09 0.00 0.48 0.00 0.00 55.95 56.77 2rpc s SER 3 Cb 0.06 0.56 -0.06 0.00 0.10 0.00 0.00 66.02 66.68 2rpc s SER 3 CO -0.03 -0.86 -0.09 -0.83 0.98 0.00 0.00 173.24 172.41 2rpc s GLY 4 N -2.50 2.11 0.05 7.32 0.00 -1.26 -5.16 107.32 107.88 2rpc s GLY 4 Ca 0.00 -2.05 -0.05 0.00 0.00 0.00 0.00 44.72 42.63 2rpc s GLY 4 CO -0.10 -1.99 0.07 -0.56 0.00 0.00 0.00 173.10 170.53 2rpc s SER 5 N -3.57 0.27 0.33 1.64 0.01 -1.26 -5.18 113.70 105.94 2rpc s SER 5 Ca 0.32 -0.71 0.04 0.00 1.31 0.00 0.00 55.95 56.91 2rpc s SER 5 Cb 0.03 0.24 -0.02 0.00 0.21 0.00 0.00 66.02 66.48 2rpc s SER 5 CO 0.15 -0.59 0.16 -0.24 0.41 0.00 0.00 173.24 173.14 2rpc n SER 6 N 0.38 0.67 0.00 2.44 2.88 -1.26 -5.14 113.62 113.59 2rpc n SER 6 Ca -0.17 -2.84 0.00 0.00 -1.33 0.00 0.00 58.87 54.53 2rpc n SER 6 Cb 0.60 1.03 0.00 0.00 -0.75 0.00 0.00 64.21 65.09 2rpc n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2rpc n GLY 7 N -0.39 3.21 3.81 0.46 0.00 -1.26 -5.15 105.19 105.87 2rpc n GLY 7 Ca -0.02 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 2rpc n GLY 7 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2rpc s GLN 8 N -1.70 3.15 0.00 1.61 -2.07 -1.26 -5.12 119.66 114.28 2rpc s GLN 8 Ca 0.00 -0.43 0.00 0.00 -1.82 0.00 0.00 55.36 53.11 2rpc s GLN 8 Cb 0.00 -2.92 0.00 0.00 -1.09 0.00 0.00 33.01 29.00 2rpc s GLN 8 CO 0.00 0.66 0.00 -0.35 -1.32 0.00 0.00 175.29 174.28 2rpc n PRO 9 N 1.20 -0.21 -3.50 9.60 -0.04 -1.26 -5.02 135.00 135.77 2rpc n PRO 9 Ca -0.13 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.95 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 -0.60 5.02 -0.59 0.52 1.01 -1.26 -5.04 121.20 120.26 2rpc s ILE 10 Ca 0.00 0.81 -0.24 0.00 0.00 0.00 0.00 60.65 61.22 2rpc s ILE 10 Cb 0.00 -3.71 0.05 0.00 0.01 0.00 0.00 42.46 38.81 2rpc s ILE 10 CO 0.00 0.54 0.96 -0.75 0.00 0.00 0.00 174.94 175.69 2rpc s LYS 11 N -1.20 3.24 -0.05 2.79 2.20 -1.26 -5.02 119.74 120.45 2rpc s LYS 11 Ca 0.25 -0.47 0.05 0.00 -0.36 0.00 0.00 55.97 55.45 2rpc s LYS 11 Cb -0.16 -4.12 -0.02 0.00 -1.51 0.00 0.00 37.83 32.02 2rpc s LYS 11 CO 0.14 -1.62 -0.20 -1.14 -0.36 0.00 0.00 175.35 172.17 2rpc s GLN 12 N 4.04 2.45 -0.10 4.03 2.00 -1.26 -5.11 119.66 125.71 2rpc s GLN 12 Ca 0.27 -0.81 -0.23 0.00 -2.00 0.00 0.00 55.36 52.60 2rpc s GLN 12 Cb -0.14 -2.25 -0.03 0.00 0.80 0.00 0.00 33.01 31.39 2rpc s GLN 12 CO 0.16 0.53 0.72 -1.21 -0.50 0.00 0.00 175.29 174.99 2rpc s GLU 13 N -0.52 4.38 0.38 1.67 2.02 -1.26 -4.50 118.70 120.87 2rpc s GLU 13 Ca 0.07 0.87 0.03 0.00 0.02 0.00 0.00 54.97 55.95 2rpc s GLU 13 Cb -0.11 -3.49 -0.01 0.00 0.10 0.00 0.00 34.13 30.61 2rpc s GLU 13 CO 0.01 -0.06 0.56 -0.51 0.02 0.00 0.00 175.26 175.29 2rpc s LEU 14 N 1.22 3.87 -0.06 1.80 1.43 0.17 -4.92 118.68 122.20 2rpc s LEU 14 Ca 0.36 0.16 -0.06 0.00 -1.03 0.00 0.00 54.13 53.57 2rpc s LEU 14 Cb -0.17 -3.05 0.02 0.00 0.03 0.00 0.00 46.19 43.02 2rpc s LEU 14 CO 0.16 -0.49 0.17 -0.94 0.23 0.00 0.00 176.35 175.47 2rpc s SER 15 N -4.15 -0.16 -0.33 2.29 1.04 -1.26 -3.00 113.70 108.13 2rpc s SER 15 Ca 0.44 0.30 0.03 0.00 0.48 0.00 0.00 55.95 57.21 2rpc s SER 15 Cb -0.10 0.33 0.09 0.00 0.10 0.00 0.00 66.02 66.45 2rpc s SER 15 CO 0.35 -0.08 0.03 0.00 0.98 0.00 0.00 173.24 174.52 2rpc s LYS 17 N 0.95 3.15 -0.21 0.00 -0.14 -1.26 -4.25 119.74 117.98 2rpc s LYS 17 Ca 0.07 -0.96 -0.06 0.00 -1.36 0.00 0.00 55.97 53.66 2rpc s LYS 17 Cb -0.19 -4.31 -0.03 0.00 -1.68 0.00 0.00 37.83 31.62 2rpc s LYS 17 CO -0.07 -1.80 0.03 -0.46 -0.76 0.00 0.00 175.35 172.29 2rpc s TRP 18 N 3.84 3.08 -0.33 3.18 -0.11 -1.26 -3.28 118.94 124.06 2rpc s TRP 18 Ca 0.22 -0.38 0.02 0.00 1.22 0.00 0.00 56.10 57.19 2rpc s TRP 18 Cb -0.16 -2.13 0.10 0.00 -1.50 0.00 0.00 33.47 29.78 2rpc s TRP 18 CO 0.08 -0.22 0.06 0.42 -4.62 0.00 0.00 176.95 172.67 2rpc s ILE 19 N 1.10 1.82 0.23 5.86 1.01 -0.16 -1.81 121.20 129.25 2rpc s ILE 19 Ca 0.03 -2.02 -0.30 0.00 0.00 0.00 0.00 60.65 58.37 2rpc s ILE 19 Cb -0.14 -2.34 -0.09 0.00 0.01 0.00 0.00 42.46 39.89 2rpc s ILE 19 CO 0.02 -0.61 1.20 -0.62 0.00 0.00 0.00 174.94 174.93 2rpc s ASP 20 N 1.14 7.07 0.17 3.58 2.15 -1.26 -4.54 116.67 124.98 2rpc s ASP 20 Ca 0.10 2.33 0.02 0.00 0.43 0.00 0.00 52.55 55.42 2rpc s ASP 20 Cb -0.18 -2.62 0.04 0.00 -0.30 0.00 0.00 42.92 39.86 2rpc s ASP 20 CO -0.13 -0.36 1.41 -0.33 -0.17 0.00 0.00 175.17 175.59 2rpc h GLU 21 N 4.65 0.25 -0.92 4.34 5.08 -1.99 -3.23 114.58 122.76 2rpc h GLU 21 Ca -0.46 -0.24 -0.63 0.00 -1.00 0.00 0.00 59.36 57.03 2rpc h GLU 21 Cb 1.21 0.06 -0.32 0.00 0.50 0.00 0.00 28.75 30.21 2rpc h GLU 21 CO 0.72 0.94 0.43 0.00 -1.00 0.00 0.00 179.01 180.09 2rpc n ALA 22 N -2.48 5.94 -1.79 3.43 0.00 -1.26 -5.01 120.51 119.34 2rpc n ALA 22 Ca -0.04 -3.52 -0.36 0.00 0.00 0.00 0.00 53.44 49.52 2rpc n ALA 22 Cb 0.76 -1.38 -0.05 0.00 0.00 0.00 0.00 19.45 18.78 2rpc n ALA 22 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2rpc s GLN 23 N -3.74 4.18 0.00 0.00 -2.07 -1.22 -4.95 119.66 111.86 2rpc s GLN 23 Ca 0.61 1.39 0.21 0.00 -1.82 0.00 0.00 55.36 55.74 2rpc s GLN 23 Cb 0.48 -2.44 0.66 0.00 -1.09 0.00 0.00 33.01 30.62 2rpc s GLN 23 CO 0.01 -0.11 1.50 -0.11 -1.32 0.00 0.00 175.29 175.26 2rpc n LEU 24 N -0.23 2.05 -4.68 2.60 7.94 -1.26 -4.86 117.00 118.56 2rpc n LEU 24 Ca 0.06 -0.87 -0.35 0.00 -1.11 0.00 0.00 56.01 53.74 2rpc n LEU 24 Cb 0.51 -0.14 -0.09 0.00 0.53 0.00 0.00 43.42 44.23 2rpc n LEU 24 CO 0.43 0.43 -0.24 -0.44 -1.11 0.00 0.00 177.39 176.46 2rpc s SER 25 N -1.53 5.71 -0.01 1.96 0.01 -1.26 -5.10 113.70 113.47 2rpc s SER 25 Ca 0.33 0.15 0.02 0.00 1.31 0.00 0.00 55.95 57.76 2rpc s SER 25 Cb 0.18 -1.91 0.00 0.00 0.21 0.00 0.00 66.02 64.50 2rpc s SER 25 CO 0.27 0.24 -0.06 -0.60 0.41 0.00 0.00 173.24 173.50 2rpc s ARG 26 N -0.01 0.59 1.10 12.44 3.00 -1.26 -3.80 118.95 131.01 2rpc s ARG 26 Ca 0.06 -0.19 -0.16 0.00 -1.00 0.00 0.00 55.73 54.44 2rpc s ARG 26 Cb -0.12 -0.58 0.24 0.00 0.00 0.00 0.00 34.95 34.49 2rpc s ARG 26 CO 0.01 0.08 1.10 -1.25 0.00 0.00 0.00 175.30 175.24 2rpc s PRO 27 N 0.12 -0.42 -0.13 5.12 0.04 -1.26 -5.03 135.00 133.44 2rpc s PRO 27 Ca -0.01 0.23 -0.34 0.00 0.04 0.00 0.00 61.00 60.91 2rpc s PRO 27 Cb -0.06 -1.66 -0.11 0.00 0.04 0.00 0.00 34.50 32.71 2rpc s PRO 27 CO -0.00 -3.24 1.94 1.63 0.04 0.00 0.00 177.00 177.36 2rpc n LYS 28 N -4.48 2.04 -4.04 4.56 4.76 -1.25 -4.96 118.16 114.78 2rpc n LYS 28 Ca 0.09 0.72 -0.22 0.00 -2.87 0.00 0.00 58.31 56.04 2rpc n LYS 28 Cb 0.58 -2.66 -0.04 0.00 -1.84 0.00 0.00 35.03 31.07 2rpc n LYS 28 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2rpc s LYS 29 N 4.46 2.91 0.02 1.97 1.02 -1.26 -5.12 119.74 123.74 2rpc s LYS 29 Ca 0.95 -1.09 0.03 0.00 0.02 0.00 0.00 55.97 55.88 2rpc s LYS 29 Cb -0.69 -2.57 -0.04 0.00 -0.52 0.00 0.00 37.83 34.02 2rpc s LYS 29 CO 0.51 0.34 -0.02 -1.54 -0.92 0.00 0.00 175.35 173.72 2rpc s SER 30 N -3.88 4.94 0.02 2.83 1.04 -1.26 -4.54 113.70 112.85 2rpc s SER 30 Ca 0.35 -0.09 -0.31 0.00 0.48 0.00 0.00 55.95 56.37 2rpc s SER 30 Cb -0.08 -1.22 -0.10 0.00 0.10 0.00 0.00 66.02 64.72 2rpc s SER 30 CO 0.25 0.26 1.93 0.00 0.98 0.00 0.00 173.24 176.66 2rpc s ASP 32 N 4.08 6.18 0.13 0.00 1.01 -1.26 -4.39 116.67 122.41 2rpc s ASP 32 Ca 0.89 -1.22 -0.04 0.00 0.71 0.00 0.00 52.55 52.89 2rpc s ASP 32 Cb -0.51 -2.35 -0.03 0.00 1.01 0.00 0.00 42.92 41.04 2rpc s ASP 32 CO 0.44 -1.23 0.13 -0.13 0.21 0.00 0.00 175.17 174.59 2rpc s ARG 33 N 3.23 0.96 -0.05 8.23 1.81 -1.26 -5.08 118.95 126.79 2rpc s ARG 33 Ca 0.16 -1.28 -0.20 0.00 -1.72 0.00 0.00 55.73 52.68 2rpc s ARG 33 Cb -0.21 0.29 0.04 0.00 -0.45 0.00 0.00 34.95 34.63 2rpc s ARG 33 CO 0.08 -0.30 0.46 0.95 -0.68 0.00 0.00 175.30 175.81 2rpc s THR 34 N -3.99 0.03 0.05 0.02 -4.23 -1.26 -4.15 115.64 102.11 2rpc s THR 34 Ca 0.18 -0.24 -0.07 0.00 -1.18 0.00 0.00 61.69 60.38 2rpc s THR 34 Cb 0.06 -0.75 -0.01 0.00 1.34 0.00 0.00 72.50 73.14 2rpc s THR 34 CO -0.01 -0.13 0.13 -0.36 -0.54 0.00 0.00 174.62 173.70 2rpc s PHE 35 N -1.01 0.19 -0.12 3.99 0.08 -1.16 -4.94 117.98 115.01 2rpc s PHE 35 Ca -0.10 -0.53 0.20 0.00 0.12 0.00 0.00 56.93 56.61 2rpc s PHE 35 Cb -0.03 -0.12 -0.24 0.00 -0.57 0.00 0.00 43.02 42.05 2rpc s PHE 35 CO 0.05 -0.42 0.49 0.43 -0.10 0.00 0.00 175.22 175.67 2rpc n SER 36 N 0.49 0.27 -4.38 1.36 7.64 -1.26 -0.66 113.62 117.08 2rpc n SER 36 Ca -0.18 0.11 -0.23 0.00 1.01 0.00 0.00 58.87 59.59 2rpc n SER 36 Cb 0.60 1.17 -0.11 0.00 -1.01 0.00 0.00 64.21 64.86 2rpc n SER 36 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2rpc s THR 37 N -3.08 2.04 0.06 0.44 -4.23 -1.26 -4.32 115.64 105.28 2rpc s THR 37 Ca -0.07 -2.05 -0.31 0.00 -1.18 0.00 0.00 61.69 58.08 2rpc s THR 37 Cb 0.10 -2.00 -0.18 0.00 1.34 0.00 0.00 72.50 71.76 2rpc s THR 37 CO 0.85 -0.31 1.55 -0.03 -0.54 0.00 0.00 174.62 176.14 2rpc h MET 38 N 3.01 -0.73 -0.91 3.99 1.85 -1.93 -2.87 114.93 117.34 2rpc h MET 38 Ca -0.42 0.05 0.25 0.00 -0.61 0.00 0.00 59.70 58.97 2rpc h MET 38 Cb 1.22 0.17 -0.15 0.00 0.43 0.00 0.00 31.60 33.27 2rpc h MET 38 CO 0.53 -0.46 0.27 1.25 -0.40 0.00 0.00 176.91 178.09 2rpc h HIS 39 N -0.83 0.40 -0.39 1.39 -0.00 -1.99 0.25 115.15 113.99 2rpc h HIS 39 Ca -0.08 0.05 0.06 0.00 -0.00 0.00 0.00 60.37 60.40 2rpc h HIS 39 Cb 0.61 -0.03 -0.05 0.00 -0.00 0.00 0.00 27.41 27.94 2rpc h HIS 39 CO -0.02 -0.23 0.06 0.93 -0.00 0.00 0.00 177.93 178.66 2rpc h GLU 40 N 0.20 0.18 0.19 5.26 4.39 -1.94 0.91 114.58 123.77 2rpc h GLU 40 Ca 0.59 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.27 2rpc h GLU 40 Cb 1.22 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 2rpc h GLU 40 CO -0.68 0.12 -0.09 1.25 -1.16 0.00 0.00 179.01 178.45 2rpc h LEU 41 N 0.18 -0.22 -0.09 1.33 5.85 -0.41 -2.73 115.31 119.22 2rpc h LEU 41 Ca 0.19 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.88 2rpc h LEU 41 Cb 0.23 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 2rpc h LEU 41 CO -0.26 -0.08 -0.20 0.58 -0.34 0.00 0.00 178.44 178.14 2rpc h VAL 42 N -0.35 0.50 -0.65 1.05 2.07 -0.92 0.60 116.25 118.54 2rpc h VAL 42 Ca -0.03 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.68 2rpc h VAL 42 Cb 0.27 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 2rpc h VAL 42 CO 0.04 0.00 0.57 0.74 0.02 0.00 0.00 177.57 178.94 2rpc h THR 43 N -0.28 0.45 0.00 2.57 2.02 -0.77 0.28 112.91 117.17 2rpc h THR 43 Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.27 2rpc h THR 43 Cb 0.40 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 2rpc h THR 43 CO -0.25 0.00 -0.11 -0.74 0.37 0.00 0.00 175.52 174.79 2rpc h HIS 44 N 0.00 0.00 -0.10 3.16 6.17 -0.72 -0.52 115.15 123.14 2rpc h HIS 44 Ca 0.31 0.00 0.03 0.00 0.71 0.00 0.00 60.37 61.42 2rpc h HIS 44 Cb 1.44 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 31.37 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 0.12 0.00 5.26 2.07 -0.61 2.24 116.25 124.63 2rpc h VAL 45 Ca 0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 2rpc h VAL 45 Cb 0.11 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2rpc h VAL 45 CO 0.00 0.00 -0.99 0.41 0.02 0.00 0.00 177.57 177.01 2rpc n THR 46 N -3.17 1.47 -0.09 2.57 -1.04 0.95 -1.79 114.28 113.18 2rpc n THR 46 Ca 0.00 0.08 -0.20 0.00 -2.04 0.00 0.00 64.05 61.89 2rpc n THR 46 Cb 0.40 -2.25 -0.12 0.00 -1.82 0.00 0.00 70.33 66.54 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 2.01 114.93 115.26 2rpc h MET 47 Ca -0.16 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 2rpc h MET 47 Cb 0.90 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.57 2rpc h MET 47 CO -0.09 1.00 0.00 0.39 1.06 0.00 0.00 176.91 179.27 2rpc n GLU 48 N -4.46 0.54 0.00 1.72 -0.58 0.72 -2.34 120.64 116.25 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 0.65 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 30.21 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 -0.81 -0.23 0.82 -0.32 8.25 0.81 -4.81 115.22 118.93 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 0.31 0.41 0.00 1.12 0.00 0.00 29.99 31.86 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 -1.92 0.31 -4.80 1.59 0.31 0.36 -4.95 118.33 109.22 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 -0.84 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 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 -0.04 0.47 0.00 2.92 0.00 0.66 -4.83 105.19 104.37 2rpc n GLY 51 Ca 0.09 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 2.92 0.28 -0.02 0.00 -1.26 -3.63 105.19 103.48 2rpc n GLY 52 Ca 0.00 -2.06 0.17 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.14 1.61 0.13 -1.98 -2.91 132.00 128.71 2rpc h PRO 53 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 2rpc h PRO 53 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2rpc h PRO 53 CO 0.00 0.01 -0.10 1.49 -0.23 0.00 0.00 178.00 179.17 2rpc h GLU 54 N 0.00 0.22 -7.09 0.86 4.57 -1.97 -3.43 114.58 107.74 2rpc h GLU 54 Ca -0.00 -0.04 -0.54 0.00 -1.18 0.00 0.00 59.36 57.60 2rpc h GLU 54 Cb 0.50 -0.03 0.12 0.00 -0.16 0.00 0.00 28.75 29.18 2rpc h GLU 54 CO 0.00 0.33 0.50 -0.65 -1.18 0.00 0.00 179.01 178.00 2rpc s GLN 55 N -4.80 2.93 0.00 1.92 1.11 -1.10 -5.00 119.66 114.72 2rpc s GLN 55 Ca -0.05 1.92 0.00 0.00 0.01 0.00 0.00 55.36 57.23 2rpc s GLN 55 Cb 0.16 -1.96 0.00 0.00 -1.01 0.00 0.00 33.01 30.20 2rpc s GLN 55 CO 0.72 -1.26 0.00 0.09 0.01 0.00 0.00 175.29 174.85 2rpc n ASN 56 N -1.56 0.00 -4.61 5.90 3.02 -1.26 -4.89 115.26 111.87 2rpc n ASN 56 Ca 0.14 0.13 -0.43 0.00 -0.03 0.00 0.00 54.58 54.39 2rpc n ASN 56 Cb 0.49 -0.48 -0.04 0.00 -0.61 0.00 0.00 39.78 39.14 2rpc n ASN 56 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2rpc s ASN 57 N -3.65 6.71 -0.40 6.41 2.47 -1.26 -5.00 114.94 120.22 2rpc s ASN 57 Ca 0.00 0.65 -0.09 0.00 0.42 0.00 0.00 52.86 53.84 2rpc s ASN 57 Cb 0.00 -2.47 0.06 0.00 -1.45 0.00 0.00 41.25 37.39 2rpc s ASN 57 CO 0.00 -0.84 0.22 -1.00 -3.72 0.00 0.00 177.10 171.75 2rpc s HIS 58 N 3.46 3.32 -0.03 0.43 3.76 -1.26 -5.06 115.29 119.90 2rpc s HIS 58 Ca 0.39 -1.47 0.02 0.00 -0.15 0.00 0.00 55.06 53.84 2rpc s HIS 58 Cb -0.12 -2.76 0.01 0.00 1.11 0.00 0.00 32.58 30.83 2rpc s HIS 58 CO 0.18 -0.80 -0.06 0.08 -0.85 0.00 0.00 174.74 173.29 2rpc s VAL 59 N 1.42 0.58 -0.28 -0.90 1.01 -1.26 -4.59 120.40 116.38 2rpc s VAL 59 Ca 0.02 -0.21 -0.07 0.00 0.00 0.00 0.00 61.98 61.73 2rpc s VAL 59 Cb -0.22 -0.55 -0.00 0.00 0.00 0.00 0.00 36.38 35.61 2rpc s VAL 59 CO 0.03 0.21 0.07 0.00 0.00 0.00 0.00 175.10 175.41 2rpc s TYR 61 N 1.53 3.40 0.15 0.00 1.51 -1.26 -4.30 117.35 118.38 2rpc s TYR 61 Ca 0.04 -1.55 -0.14 0.00 -1.01 0.00 0.00 57.07 54.41 2rpc s TYR 61 Cb -0.16 -3.76 -0.07 0.00 -0.11 0.00 0.00 41.96 37.85 2rpc s TYR 61 CO 0.02 -1.01 0.54 -0.46 -1.11 0.00 0.00 175.55 173.54 2rpc s TRP 62 N 1.19 3.59 0.63 2.71 -0.11 -1.26 -0.99 118.94 124.69 2rpc s TRP 62 Ca 0.07 1.03 0.17 0.00 1.22 0.00 0.00 56.10 58.60 2rpc s TRP 62 Cb -0.25 -2.35 0.69 0.00 -1.50 0.00 0.00 33.47 30.07 2rpc s TRP 62 CO -0.00 0.42 1.30 1.49 -4.62 0.00 0.00 176.95 175.53 2rpc h GLU 63 N 3.46 0.00 -0.00 5.86 4.81 -1.85 -1.73 114.58 125.13 2rpc h GLU 63 Ca -0.48 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.60 2rpc h GLU 63 Cb 1.19 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.43 2rpc h GLU 63 CO 0.66 0.00 -0.30 -0.85 -0.73 0.00 0.00 179.01 177.79 2rpc n GLU 64 N -2.98 0.40 -1.50 1.92 0.28 -1.26 -5.03 120.64 112.47 2rpc n GLU 64 Ca 0.11 -1.09 -0.53 0.00 -0.16 0.00 0.00 57.16 55.50 2rpc n GLU 64 Cb 1.16 0.46 -0.05 0.00 1.43 0.00 0.00 31.44 34.44 2rpc n GLU 64 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2rpc n PRO 66 N 1.48 0.21 -0.01 0.00 -0.04 -1.26 -2.70 135.00 132.67 2rpc n PRO 66 Ca 0.18 0.44 -0.13 0.00 -0.04 0.00 0.00 63.50 63.94 2rpc n PRO 66 Cb 0.18 -1.90 -0.14 0.00 -0.04 0.00 0.00 33.50 31.60 2rpc n PRO 66 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2rpc n ARG 67 N -2.29 0.68 -2.82 0.54 5.12 -1.26 -5.00 116.66 111.64 2rpc n ARG 67 Ca 0.02 0.28 -0.07 0.00 -1.93 0.00 0.00 57.85 56.15 2rpc n ARG 67 Cb 0.23 -1.76 0.02 0.00 -1.16 0.00 0.00 32.46 29.79 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 -3.21 -2.38 0.00 5.56 1.02 -1.10 -3.15 120.64 117.38 2rpc n GLU 68 Ca -0.23 0.25 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2rpc n GLU 68 Cb 1.05 -3.51 0.00 0.00 -0.02 0.00 0.00 31.44 28.96 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 -0.96 3.02 3.16 0.62 0.00 -1.26 -4.93 105.19 104.83 2rpc n GLY 69 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2rpc n GLY 69 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2rpc n LYS 70 N -1.36 0.00 -0.12 1.61 0.00 -1.19 -4.71 118.16 112.40 2rpc n LYS 70 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 58.31 58.15 2rpc n LYS 70 Cb 0.00 -1.09 0.15 0.00 0.00 0.00 0.00 35.03 34.10 2rpc n LYS 70 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2rpc n SER 71 N 6.80 -3.13 -0.16 3.14 2.88 -1.26 -4.98 113.62 116.91 2rpc n SER 71 Ca 0.61 -0.45 0.01 0.00 -1.33 0.00 0.00 58.87 57.70 2rpc n SER 71 Cb 0.09 -0.52 0.01 0.00 -0.75 0.00 0.00 64.21 63.04 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 -4.47 0.00 -1.77 0.66 3.01 -1.26 -4.98 117.46 108.65 2rpc n PHE 72 Ca 0.07 -0.14 -0.05 0.00 1.01 0.00 0.00 57.45 58.34 2rpc n PHE 72 Cb 0.31 -0.03 -0.01 0.00 -0.01 0.00 0.00 39.48 39.74 2rpc n PHE 72 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2rpc n LYS 73 N -0.17 -1.85 -3.93 -1.08 5.02 -1.26 -4.83 118.16 110.06 2rpc n LYS 73 Ca 0.01 0.27 -0.09 0.00 -2.02 0.00 0.00 58.31 56.48 2rpc n LYS 73 Cb 0.54 -4.57 -0.05 0.00 -0.02 0.00 0.00 35.03 30.93 2rpc n LYS 73 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2rpc s ALA 74 N -1.81 -0.39 -0.16 7.82 0.00 -1.26 -5.09 121.76 120.87 2rpc s ALA 74 Ca 0.00 -0.71 -0.12 0.00 0.00 0.00 0.00 51.96 51.12 2rpc s ALA 74 Cb 0.00 0.98 -0.06 0.00 0.00 0.00 0.00 23.12 24.04 2rpc s ALA 74 CO 0.00 -0.82 -0.19 1.17 0.00 0.00 0.00 175.76 175.93 2rpc n LYS 75 N -0.35 0.48 0.08 0.00 3.00 -1.26 -3.77 118.16 116.35 2rpc n LYS 75 Ca -0.04 0.45 0.05 0.00 -0.00 0.00 0.00 58.31 58.77 2rpc n LYS 75 Cb 0.62 -1.63 0.29 0.00 0.00 0.00 0.00 35.03 34.30 2rpc n LYS 75 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.40 179.88 2rpc n TYR 76 N -4.55 0.36 0.08 5.64 4.11 -1.26 -0.72 117.16 120.81 2rpc n TYR 76 Ca -0.13 0.19 -0.23 0.00 -0.00 0.00 0.00 57.90 57.73 2rpc n TYR 76 Cb 0.38 -0.80 -0.15 0.00 -0.00 0.00 0.00 39.34 38.78 2rpc n TYR 76 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.86 177.73 2rpc h LYS 77 N 0.00 0.40 0.23 -3.48 1.79 -1.91 -3.11 116.57 110.49 2rpc h LYS 77 Ca 0.00 -0.68 -0.35 0.00 -2.18 0.00 0.00 60.65 57.44 2rpc h LYS 77 Cb 0.00 0.25 0.03 0.00 -1.58 0.00 0.00 32.23 30.94 2rpc h LYS 77 CO 0.00 1.33 -1.60 1.25 -1.08 0.00 0.00 179.45 179.35 2rpc h LEU 78 N 0.01 0.77 -0.44 2.94 5.85 -1.31 -3.16 115.31 119.97 2rpc h LEU 78 Ca -0.30 -0.93 0.00 0.00 0.84 0.00 0.00 57.88 57.49 2rpc h LEU 78 Cb 2.03 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.79 2rpc h LEU 78 CO 0.18 1.75 0.29 0.58 -0.34 0.00 0.00 178.44 180.90 2rpc h VAL 79 N 0.13 1.12 0.00 1.05 2.07 -1.10 -1.85 116.25 117.67 2rpc h VAL 79 Ca -0.29 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 66.97 2rpc h VAL 79 Cb 2.15 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 2rpc h VAL 79 CO 0.24 0.11 -0.21 -1.13 0.02 0.00 0.00 177.57 176.60 2rpc h ASN 80 N 0.60 0.00 -0.11 0.57 -1.24 -1.67 -2.92 115.58 110.80 2rpc h ASN 80 Ca 0.16 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.15 2rpc h ASN 80 Cb -0.06 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 38.98 2rpc h ASN 80 CO -0.03 0.21 -0.01 -0.74 -1.29 0.00 0.00 177.43 175.57 2rpc h HIS 81 N 0.00 0.23 -0.25 0.67 2.76 -1.31 -2.71 115.15 114.54 2rpc h HIS 81 Ca -0.00 -0.04 0.07 0.00 -2.20 0.00 0.00 60.37 58.20 2rpc h HIS 81 Cb 0.45 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.34 2rpc h HIS 81 CO 0.00 0.47 0.46 0.82 -1.30 0.00 0.00 177.93 178.38 2rpc h ILE 82 N -0.08 0.18 -0.44 6.26 2.04 -1.25 0.12 117.51 124.35 2rpc h ILE 82 Ca 0.03 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.97 2rpc h ILE 82 Cb 0.39 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 2rpc h ILE 82 CO 0.01 0.00 0.30 0.03 0.00 0.00 0.00 178.15 178.49 2rpc h ARG 83 N 0.00 0.23 0.00 2.37 2.47 -1.53 0.10 114.38 118.02 2rpc h ARG 83 Ca 0.12 -0.01 -0.06 0.00 -1.26 0.00 0.00 59.98 58.77 2rpc h ARG 83 Cb 1.03 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.29 2rpc h ARG 83 CO -0.00 0.15 -0.27 -0.39 0.56 0.00 0.00 179.97 180.02 2rpc h VAL 84 N 0.24 0.57 0.00 2.04 -1.51 -0.92 -2.88 116.25 113.79 2rpc h VAL 84 Ca 0.20 -1.39 0.00 0.00 -1.23 0.00 0.00 66.70 64.28 2rpc h VAL 84 Cb 0.49 1.96 0.00 0.00 -2.13 0.00 0.00 31.29 31.61 2rpc h VAL 84 CO -0.04 0.27 0.00 1.41 -1.23 0.00 0.00 177.57 177.98 2rpc n HIS 85 N -3.31 0.61 -0.05 5.19 8.25 0.35 -3.62 115.22 122.64 2rpc n HIS 85 Ca 0.01 0.23 -0.02 0.00 -0.26 0.00 0.00 57.72 57.68 2rpc n HIS 85 Cb 0.52 -0.88 -0.01 0.00 1.12 0.00 0.00 29.99 30.74 2rpc n HIS 85 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 2rpc h THR 86 N 0.00 0.00 -6.46 1.59 1.35 -1.50 -3.49 112.91 104.40 2rpc h THR 86 Ca 0.00 -0.78 -0.49 0.00 -0.55 0.00 0.00 66.41 64.59 2rpc h THR 86 Cb 0.37 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.79 2rpc h THR 86 CO 0.00 0.00 -0.93 0.61 -0.25 0.00 0.00 175.52 174.95 2rpc n GLY 87 N 1.70 -0.61 3.64 5.82 0.00 -1.24 -4.85 105.19 109.65 2rpc n GLY 87 Ca -0.04 0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 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 -6.46 3.95 0.06 1.61 2.12 -1.26 -5.00 118.70 113.71 2rpc s GLU 88 Ca 0.26 1.58 0.02 0.00 0.36 0.00 0.00 54.97 57.19 2rpc s GLU 88 Cb -0.11 -3.93 -0.03 0.00 0.26 0.00 0.00 34.13 30.32 2rpc s GLU 88 CO 0.89 -1.09 -0.07 0.15 -0.54 0.00 0.00 175.26 174.60 2rpc s LYS 89 N 4.24 0.60 -0.02 4.30 -0.14 -1.26 -5.04 119.74 122.42 2rpc s LYS 89 Ca 0.64 -0.91 -0.25 0.00 -1.36 0.00 0.00 55.97 54.09 2rpc s LYS 89 Cb -0.22 -0.26 -0.19 0.00 -1.68 0.00 0.00 37.83 35.47 2rpc s LYS 89 CO 0.25 0.03 1.21 -1.00 -0.76 0.00 0.00 175.35 175.08 2rpc h PRO 90 N 4.10 -0.08 -2.25 -1.68 0.13 -1.93 -3.45 132.00 126.83 2rpc h PRO 90 Ca -0.36 0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.77 2rpc h PRO 90 Cb 1.19 0.02 -0.24 0.00 0.13 0.00 0.00 31.00 32.10 2rpc h PRO 90 CO 0.47 0.37 -0.24 -0.59 -0.23 0.00 0.00 178.00 177.78 2rpc s PHE 91 N -4.20 -1.07 0.00 1.56 -0.12 -1.26 -5.17 117.98 107.72 2rpc s PHE 91 Ca -0.15 1.93 0.00 0.00 -0.05 0.00 0.00 56.93 58.66 2rpc s PHE 91 Cb 0.02 0.56 0.00 0.00 -0.63 0.00 0.00 43.02 42.96 2rpc s PHE 91 CO 0.63 -0.57 0.00 -0.35 -0.05 0.00 0.00 175.22 174.88 2rpc n PRO 92 N 5.38 0.19 -3.27 1.99 -0.04 -1.26 -4.46 135.00 133.53 2rpc n PRO 92 Ca -0.11 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.97 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 h PRO 94 N 5.60 0.00 -6.49 0.00 0.13 -1.95 -3.44 132.00 125.85 2rpc h PRO 94 Ca -0.46 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.14 2rpc h PRO 94 Cb 1.20 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.35 2rpc h PRO 94 CO 0.69 0.06 0.83 0.12 -0.23 0.00 0.00 178.00 179.46 2rpc s PHE 95 N -3.72 2.95 0.04 1.56 2.19 -1.26 -4.96 117.98 114.78 2rpc s PHE 95 Ca 0.00 0.75 -0.30 0.00 0.33 0.00 0.00 56.93 57.71 2rpc s PHE 95 Cb 0.10 -3.77 -0.06 0.00 -1.31 0.00 0.00 43.02 37.97 2rpc s PHE 95 CO 0.56 -2.84 1.42 -1.25 1.83 0.00 0.00 175.22 174.94 2rpc s PRO 96 N 1.75 4.29 0.00 10.12 0.04 -1.26 -2.45 135.00 147.48 2rpc s PRO 96 Ca 0.67 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.74 2rpc s PRO 96 Cb -0.37 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 30.68 2rpc s PRO 96 CO 0.30 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 177.20 2rpc n GLY 97 N 3.64 1.35 0.08 0.56 0.00 -1.26 -4.88 105.19 104.67 2rpc n GLY 97 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 1.43 -0.32 3.85 0.00 0.00 -1.26 -4.84 105.19 104.05 2rpc n GLY 99 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.68 3.80 0.06 1.61 2.47 -1.26 -4.91 119.74 117.83 2rpc s LYS 100 Ca 0.00 0.26 0.03 0.00 -1.56 0.00 0.00 55.97 54.70 2rpc s LYS 100 Cb 0.00 -3.16 -0.03 0.00 -1.46 0.00 0.00 37.83 33.18 2rpc s LYS 100 CO 0.00 0.68 -0.09 0.42 0.16 0.00 0.00 175.35 176.52 2rpc s ILE 101 N -1.15 0.69 -0.05 5.43 1.01 -1.26 0.47 121.20 126.34 2rpc s ILE 101 Ca 0.25 -1.34 -0.01 0.00 0.00 0.00 0.00 60.65 59.54 2rpc s ILE 101 Cb -0.15 -0.96 0.03 0.00 0.01 0.00 0.00 42.46 41.39 2rpc s ILE 101 CO 0.13 -0.48 0.03 -0.36 0.00 0.00 0.00 174.94 174.26 2rpc s PHE 102 N -1.92 0.32 -0.75 3.97 0.40 -1.26 -5.00 117.98 113.73 2rpc s PHE 102 Ca -0.03 0.06 0.09 0.00 -0.60 0.00 0.00 56.93 56.45 2rpc s PHE 102 Cb -0.06 -0.58 0.44 0.00 0.51 0.00 0.00 43.02 43.33 2rpc s PHE 102 CO -0.00 -0.23 1.27 0.00 0.70 0.00 0.00 175.22 176.96 2rpc n ALA 103 N 5.04 1.12 -2.94 5.36 0.00 -1.26 -4.48 120.51 123.35 2rpc n ALA 103 Ca -0.09 0.06 -0.34 0.00 0.00 0.00 0.00 53.44 53.07 2rpc n ALA 103 Cb 0.50 -1.13 -0.12 0.00 0.00 0.00 0.00 19.45 18.69 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 -3.17 3.52 0.29 0.00 0.52 -1.26 -4.97 118.95 113.88 2rpc s ARG 104 Ca 0.00 -0.55 -0.01 0.00 -0.52 0.00 0.00 55.73 54.66 2rpc s ARG 104 Cb 0.03 -2.83 0.43 0.00 0.52 0.00 0.00 34.95 33.11 2rpc s ARG 104 CO 0.10 0.29 1.85 1.03 0.02 0.00 0.00 175.30 178.59 2rpc h SER 105 N 6.53 0.76 0.68 0.23 0.87 -1.99 -2.09 113.55 118.53 2rpc h SER 105 Ca -0.32 -0.12 -0.10 0.00 -1.23 0.00 0.00 61.79 60.02 2rpc h SER 105 Cb 1.19 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.94 2rpc h SER 105 CO 0.60 0.73 -0.45 -0.08 -0.53 0.00 0.00 176.83 177.10 2rpc h GLU 106 N 0.80 0.00 -0.41 2.24 4.81 -1.94 -2.92 114.58 117.16 2rpc h GLU 106 Ca 0.18 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.26 2rpc h GLU 106 Cb 0.25 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2rpc h GLU 106 CO -0.01 0.45 -0.35 -0.91 -0.73 0.00 0.00 179.01 177.46 2rpc h ASN 107 N 0.00 1.01 0.21 1.04 4.21 -1.76 -1.40 115.58 118.90 2rpc h ASN 107 Ca -0.00 -0.45 -0.01 0.00 1.21 0.00 0.00 56.30 57.05 2rpc h ASN 107 Cb 0.92 -0.28 0.00 0.00 -1.12 0.00 0.00 38.32 37.83 2rpc h ASN 107 CO 0.06 1.25 -0.10 0.25 -1.29 0.00 0.00 177.43 177.60 2rpc h LEU 108 N 0.79 -0.24 -0.49 1.61 5.85 -1.38 0.33 115.31 121.78 2rpc h LEU 108 Ca 0.07 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.63 2rpc h LEU 108 Cb 0.95 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 2rpc h LEU 108 CO 0.09 0.04 0.31 0.07 -0.34 0.00 0.00 178.44 178.61 2rpc h LYS 109 N -0.53 0.61 0.00 1.25 2.10 -1.56 0.19 116.57 118.62 2rpc h LYS 109 Ca -0.03 -0.04 -0.04 0.00 -2.00 0.00 0.00 60.65 58.54 2rpc h LYS 109 Cb 0.40 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.59 2rpc h LYS 109 CO 0.05 0.40 -0.20 0.82 -2.00 0.00 0.00 179.45 178.52 2rpc h ILE 110 N 0.62 0.70 0.00 0.07 2.04 -1.22 -2.99 117.51 116.73 2rpc h ILE 110 Ca 0.19 -0.83 -0.00 0.00 1.00 0.00 0.00 64.86 65.22 2rpc h ILE 110 Cb -0.02 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 2rpc h ILE 110 CO -0.07 0.19 -0.00 -0.74 0.00 0.00 0.00 178.15 177.53 2rpc h HIS 111 N 0.00 -0.00 -1.16 1.37 -0.00 0.09 -2.98 115.15 112.48 2rpc h HIS 111 Ca -0.00 -0.00 0.36 0.00 -0.00 0.00 0.00 60.37 60.72 2rpc h HIS 111 Cb 0.50 0.00 -0.12 0.00 -0.00 0.00 0.00 27.41 27.79 2rpc h HIS 111 CO 0.00 0.41 0.73 0.87 -0.00 0.00 0.00 177.93 179.94 2rpc h LYS 112 N -1.00 0.23 0.00 5.26 1.57 -0.66 2.36 116.57 124.33 2rpc h LYS 112 Ca -0.00 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.63 2rpc h LYS 112 Cb 0.42 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 2rpc h LYS 112 CO 0.00 0.15 -0.67 0.07 -0.57 0.00 0.00 179.45 178.43 2rpc h ARG 113 N 0.23 0.00 -0.12 3.15 0.11 -1.63 0.56 114.38 116.69 2rpc h ARG 113 Ca 0.73 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.81 2rpc h ARG 113 Cb 2.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.11 2rpc h ARG 113 CO -0.42 0.67 0.00 -2.37 0.10 0.00 0.00 179.97 177.95 2rpc n THR 114 N -3.43 0.13 0.03 0.08 5.66 0.48 -4.11 114.28 113.12 2rpc n THR 114 Ca 0.00 -0.57 0.00 0.00 -3.05 0.00 0.00 64.05 60.44 2rpc n THR 114 Cb 0.74 1.34 0.00 0.00 -1.55 0.00 0.00 70.33 70.86 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 1.28 -0.23 0.33 1.09 -0.00 0.68 -4.74 115.22 113.63 2rpc n HIS 115 Ca 0.14 0.04 0.22 0.00 -0.00 0.00 0.00 57.72 58.12 2rpc n HIS 115 Cb 0.56 0.14 1.15 0.00 -0.00 0.00 0.00 29.99 31.84 2rpc n HIS 115 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2rpc h THR 116 N 0.00 0.00 0.00 3.57 1.03 0.01 -1.15 112.91 116.38 2rpc h THR 116 Ca 0.00 -0.06 -0.08 0.00 -0.01 0.00 0.00 66.41 66.26 2rpc h THR 116 Cb 0.49 1.04 -0.01 0.00 -1.07 0.00 0.00 68.15 68.60 2rpc h THR 116 CO 0.00 0.00 -0.38 1.23 -0.01 0.00 0.00 175.52 176.36 2rpc h GLY 117 N 0.24 0.00 -3.12 2.99 0.00 -1.71 -3.45 103.07 98.02 2rpc h GLY 117 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 2rpc h GLY 117 CO 0.00 0.00 -0.56 -1.83 0.00 0.00 0.00 176.54 174.15 2rpc s GLU 118 N -3.53 2.79 0.32 4.80 -1.05 -0.43 -5.12 118.70 116.48 2rpc s GLU 118 Ca 0.01 -1.06 -0.06 0.00 -0.15 0.00 0.00 54.97 53.71 2rpc s GLU 118 Cb 0.10 -2.51 -0.05 0.00 -0.44 0.00 0.00 34.13 31.23 2rpc s GLU 118 CO 0.69 0.42 0.60 0.15 0.95 0.00 0.00 175.26 178.07 2rpc s LYS 119 N -3.57 3.65 0.41 -4.83 -0.14 -1.26 -4.95 119.74 109.04 2rpc s LYS 119 Ca 0.32 0.08 0.29 0.00 -1.36 0.00 0.00 55.97 55.30 2rpc s LYS 119 Cb -0.08 -2.59 1.20 0.00 -1.68 0.00 0.00 37.83 34.68 2rpc s LYS 119 CO 0.23 0.14 1.86 -1.00 -0.76 0.00 0.00 175.35 175.82 2rpc h PRO 120 N 1.48 0.00 -3.63 -1.68 0.13 -1.93 -3.38 132.00 122.98 2rpc h PRO 120 Ca -0.48 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.06 2rpc h PRO 120 Cb 1.19 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.92 2rpc h PRO 120 CO 0.65 0.00 -0.75 -0.06 -0.23 0.00 0.00 178.00 177.61 2rpc s PHE 121 N -3.50 1.94 -0.09 1.56 0.08 -0.93 -5.02 117.98 112.02 2rpc s PHE 121 Ca 0.02 -1.92 0.01 0.00 0.12 0.00 0.00 56.93 55.17 2rpc s PHE 121 Cb 0.09 -1.86 -0.02 0.00 -0.57 0.00 0.00 43.02 40.66 2rpc s PHE 121 CO 0.46 -0.88 -0.12 0.21 -0.10 0.00 0.00 175.22 174.80 2rpc s LYS 122 N 1.45 2.92 -0.38 0.44 2.20 -1.26 1.00 119.74 126.11 2rpc s LYS 122 Ca 0.10 -0.65 -0.34 0.00 -0.36 0.00 0.00 55.97 54.72 2rpc s LYS 122 Cb -0.18 -2.54 -0.15 0.00 -1.51 0.00 0.00 37.83 33.45 2rpc s LYS 122 CO -0.22 0.47 1.58 0.00 -0.36 0.00 0.00 175.35 176.83 2rpc n GLU 124 N 5.35 0.04 -2.32 0.00 1.02 -1.26 -4.70 120.64 118.77 2rpc n GLU 124 Ca 0.39 0.30 -0.42 0.00 -0.02 0.00 0.00 57.16 57.41 2rpc n GLU 124 Cb -0.03 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.86 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 -2.86 3.37 0.35 -0.32 5.36 -1.26 -4.99 117.98 117.62 2rpc s PHE 125 Ca 0.06 1.19 -0.27 0.00 -0.96 0.00 0.00 56.93 56.95 2rpc s PHE 125 Cb 0.06 -3.52 -0.09 0.00 -0.34 0.00 0.00 43.02 39.13 2rpc s PHE 125 CO 0.16 -1.67 1.15 -2.00 -1.46 0.00 0.00 175.22 171.41 2rpc s GLU 126 N 0.93 4.29 0.00 10.12 2.56 -1.26 -2.82 118.70 132.51 2rpc s GLU 126 Ca 0.60 1.85 0.00 0.00 0.00 0.00 0.00 54.97 57.42 2rpc s GLU 126 Cb -0.32 -2.87 0.00 0.00 2.00 0.00 0.00 34.13 32.93 2rpc s GLU 126 CO 0.30 -0.12 0.00 0.41 -0.56 0.00 0.00 175.26 175.29 2rpc n GLY 127 N 0.79 0.63 3.64 -1.50 0.00 -1.26 -5.01 105.19 102.48 2rpc n GLY 127 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.43 4.19 0.34 0.00 1.01 -1.26 -4.88 116.67 114.64 2rpc s ASP 129 Ca 0.18 -1.42 -0.01 0.00 0.71 0.00 0.00 52.55 52.01 2rpc s ASP 129 Cb -0.11 -1.35 0.00 0.00 1.01 0.00 0.00 42.92 42.47 2rpc s ASP 129 CO 0.08 -0.25 0.46 0.54 0.21 0.00 0.00 175.17 176.21 2rpc n ARG 130 N 4.54 0.66 -3.74 8.23 5.12 -1.26 -5.04 116.66 125.16 2rpc n ARG 130 Ca -0.10 -2.79 -0.12 0.00 -1.93 0.00 0.00 57.85 52.91 2rpc n ARG 130 Cb 0.43 2.64 -0.12 0.00 -1.16 0.00 0.00 32.46 34.25 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 -2.84 0.27 0.07 5.56 0.52 -1.26 -4.34 118.95 116.93 2rpc s ARG 131 Ca 0.29 0.50 -0.04 0.00 -0.52 0.00 0.00 55.73 55.96 2rpc s ARG 131 Cb -0.01 -0.00 -0.02 0.00 0.52 0.00 0.00 34.95 35.44 2rpc s ARG 131 CO 0.21 -0.11 0.07 -0.06 0.02 0.00 0.00 175.30 175.43 2rpc s PHE 132 N 0.84 0.37 -0.04 -0.53 0.08 0.28 -4.98 117.98 114.01 2rpc s PHE 132 Ca -0.06 -0.87 0.01 0.00 0.12 0.00 0.00 56.93 56.13 2rpc s PHE 132 Cb -0.07 -0.25 -0.01 0.00 -0.57 0.00 0.00 43.02 42.13 2rpc s PHE 132 CO -0.06 -0.46 0.07 0.00 -0.10 0.00 0.00 175.22 174.67 2rpc n ALA 133 N 0.03 2.12 -3.48 5.36 0.00 -1.26 -2.19 120.51 121.08 2rpc n ALA 133 Ca -0.14 -0.06 -0.16 0.00 0.00 0.00 0.00 53.44 53.08 2rpc n ALA 133 Cb 0.62 -0.02 -0.16 0.00 0.00 0.00 0.00 19.45 19.89 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 -0.99 0.35 0.50 0.00 2.20 -1.26 -4.83 114.94 110.91 2rpc s ASN 134 Ca 0.00 -0.03 0.30 0.00 -0.94 0.00 0.00 52.86 52.20 2rpc s ASN 134 Cb 0.01 -0.16 1.40 0.00 -2.00 0.00 0.00 41.25 40.49 2rpc s ASN 134 CO 0.03 -0.07 1.81 -1.28 -2.94 0.00 0.00 177.10 174.65 2rpc h SER 135 N 6.94 0.14 0.46 3.54 0.87 -1.96 -0.46 113.55 123.08 2rpc h SER 135 Ca -0.39 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.18 2rpc h SER 135 Cb 1.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 2rpc h SER 135 CO 0.49 0.03 -0.22 -1.28 -0.53 0.00 0.00 176.83 175.31 2rpc h SER 136 N 0.13 -0.52 -0.79 6.23 0.87 -1.98 0.66 113.55 118.14 2rpc h SER 136 Ca 0.54 0.01 0.05 0.00 -1.23 0.00 0.00 61.79 61.16 2rpc h SER 136 Cb 1.91 0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 63.95 2rpc h SER 136 CO -0.10 -0.35 0.49 0.44 -0.53 0.00 0.00 176.83 176.78 2rpc h ASP 137 N -0.64 0.79 -0.02 6.23 5.19 -1.52 0.45 116.42 126.90 2rpc h ASP 137 Ca -0.06 0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.36 2rpc h ASP 137 Cb 0.48 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 39.84 2rpc h ASP 137 CO 0.10 0.52 0.01 -0.09 -3.12 0.00 0.00 179.24 176.67 2rpc h ARG 138 N 0.93 0.03 0.00 3.56 2.43 -1.23 -2.21 114.38 117.88 2rpc h ARG 138 Ca 0.33 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.48 2rpc h ARG 138 Cb 0.10 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 2rpc h ARG 138 CO -0.15 0.13 -0.08 -0.22 -1.51 0.00 0.00 179.97 178.14 2rpc h LYS 139 N -0.09 0.00 0.00 0.20 3.64 -0.50 -1.46 116.57 118.37 2rpc h LYS 139 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2rpc h LYS 139 Cb 0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2rpc h LYS 139 CO -0.00 0.08 0.00 0.87 -2.27 0.00 0.00 179.45 178.13 2rpc h LYS 140 N 0.00 0.00 -0.01 1.90 1.57 -0.35 -3.01 116.57 116.67 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 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2rpc h LYS 140 CO 0.01 0.00 -0.06 1.58 -0.57 0.00 0.00 179.45 180.41 2rpc n HIS 141 N -2.89 0.00 0.10 -1.35 -0.00 -0.55 -3.46 115.22 107.08 2rpc n HIS 141 Ca 0.04 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.30 2rpc n HIS 141 Cb 0.47 -0.08 0.00 0.00 -0.12 0.00 0.00 29.99 30.26 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 1.01 0.00 -0.04 1.57 2.86 -1.57 -3.32 114.93 115.44 2rpc h MET 142 Ca 0.00 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2rpc h MET 142 Cb 0.33 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 2rpc h MET 142 CO 0.00 0.12 0.21 1.12 1.06 0.00 0.00 176.91 179.43 2rpc h HIS 143 N 0.00 0.00 0.00 -0.22 -0.00 -1.71 0.36 115.15 113.58 2rpc h HIS 143 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.33 2rpc h HIS 143 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.60 2rpc h HIS 143 CO 0.00 0.00 -1.34 1.55 -0.00 0.00 0.00 177.93 178.14 2rpc n VAL 144 N -3.09 0.04 1.91 6.12 3.14 -1.25 -4.09 118.33 121.10 2rpc n VAL 144 Ca -0.02 -0.22 0.16 0.00 -2.96 0.00 0.00 64.34 61.30 2rpc n VAL 144 Cb 0.28 0.48 0.91 0.00 -1.06 0.00 0.00 33.84 34.45 2rpc n VAL 144 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 2rpc n HIS 145 N -1.86 0.00 -0.02 1.45 8.25 0.13 -3.87 115.22 119.30 2rpc n HIS 145 Ca 0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.38 2rpc n HIS 145 Cb 0.44 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.50 2rpc n HIS 145 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 2rpc h THR 146 N 0.00 0.52 0.00 1.59 2.02 -1.69 -3.44 112.91 111.92 2rpc h THR 146 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2rpc h THR 146 Cb 0.02 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 2rpc h THR 146 CO 0.00 0.00 0.00 -0.24 0.37 0.00 0.00 175.52 175.65 2rpc n SER 147 N -5.33 0.00 -4.72 4.18 2.88 -1.25 -5.08 113.62 104.29 2rpc n SER 147 Ca -0.02 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.17 2rpc n SER 147 Cb 0.24 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.62 2rpc n SER 147 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2rpc s ASP 148 N -2.06 6.02 0.00 -3.46 1.01 -1.25 -4.96 116.67 111.96 2rpc s ASP 148 Ca 0.00 0.22 0.07 0.00 0.71 0.00 0.00 52.55 53.55 2rpc s ASP 148 Cb 0.00 -2.02 0.32 0.00 1.01 0.00 0.00 42.92 42.23 2rpc s ASP 148 CO 0.00 0.23 1.23 2.29 0.21 0.00 0.00 175.17 179.13 2rpc n LYS 149 N 3.20 0.01 -2.45 8.23 2.85 -1.25 -4.47 118.16 124.28 2rpc n LYS 149 Ca -0.17 0.36 -0.24 0.00 -1.05 0.00 0.00 58.31 57.22 2rpc n LYS 149 Cb 0.53 -1.50 0.07 0.00 -0.65 0.00 0.00 35.03 33.48 2rpc n LYS 149 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2rpc s SER 150 N -2.98 4.80 0.00 -5.58 1.04 -1.26 -4.91 113.70 104.81 2rpc s SER 150 Ca 0.04 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.54 2rpc s SER 150 Cb 0.05 -0.71 0.00 0.00 0.10 0.00 0.00 66.02 65.45 2rpc s SER 150 CO 0.13 -1.54 0.00 0.61 0.98 0.00 0.00 173.24 173.42 2rpc n GLY 151 N -2.72 0.76 3.77 7.32 0.00 -1.26 -4.98 105.19 108.08 2rpc n GLY 151 Ca 0.10 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 2rpc n GLY 151 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2rpc s PRO 152 N -1.37 3.51 0.02 1.61 0.04 -1.26 -4.97 135.00 132.57 2rpc s PRO 152 Ca 0.00 1.67 -0.10 0.00 0.04 0.00 0.00 61.00 62.61 2rpc s PRO 152 Cb 0.00 -2.16 0.01 0.00 0.04 0.00 0.00 34.50 32.39 2rpc s PRO 152 CO 0.00 -0.73 0.21 0.45 0.04 0.00 0.00 177.00 176.97 2rpc s SER 153 N -1.62 -0.03 0.13 6.66 0.15 -1.26 -5.14 113.70 112.60 2rpc s SER 153 Ca 0.69 -0.21 -0.30 0.00 0.70 0.00 0.00 55.95 56.83 2rpc s SER 153 Cb -0.26 0.27 -0.07 0.00 -1.71 0.00 0.00 66.02 64.26 2rpc s SER 153 CO 0.30 -0.48 1.13 -0.55 1.20 0.00 0.00 173.24 174.84 2rpc s SER 154 N -1.71 7.20 0.00 5.45 0.15 -1.26 -5.21 113.70 118.31 2rpc s SER 154 Ca -0.10 2.06 0.00 0.00 0.70 0.00 0.00 55.95 58.61 2rpc s SER 154 Cb -0.04 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 2rpc s SER 154 CO -0.00 -0.31 0.25 0.61 1.20 0.00 0.00 173.24 174.98