#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c4p n GLY -1 N 0.00 2.14 0.00 2.89 0.00 -1.26 -2.73 105.19 106.22 2c4p n GLY -1 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2c4p n GLY -1 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2c4p n SER 0 N 6.82 0.00 -0.09 1.61 7.64 -1.26 -4.88 113.62 123.47 2c4p n SER 0 Ca 0.00 -0.93 -0.12 0.00 1.01 0.00 0.00 58.87 58.83 2c4p n SER 0 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 2c4p n SER 0 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 2c4p n MET 1 N 0.00 0.50 -0.17 1.43 0.00 -1.11 -2.71 117.12 115.07 2c4p n MET 1 Ca 0.00 0.49 0.09 0.00 0.00 0.00 0.00 57.70 58.27 2c4p n MET 1 Cb 0.23 -1.66 0.40 0.00 0.00 0.00 0.00 33.22 32.19 2c4p n MET 1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2c4p h ALA 2 N -0.86 1.81 -0.32 3.17 0.00 -1.66 0.26 119.26 121.66 2c4p h ALA 2 Ca -0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2c4p h ALA 2 Cb 0.86 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2c4p h ALA 2 CO -0.09 0.05 0.21 1.25 0.00 0.00 0.00 179.25 180.67 2c4p h LEU 3 N 0.65 0.36 -1.03 0.00 5.85 -1.81 0.15 115.31 119.48 2c4p h LEU 3 Ca 0.32 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.93 2c4p h LEU 3 Cb 0.41 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 2c4p h LEU 3 CO -0.11 0.27 -0.36 0.11 -0.34 0.00 0.00 178.44 178.01 2c4p h LYS 4 N 0.43 0.24 -0.88 1.25 1.79 -0.94 -1.67 116.57 116.78 2c4p h LYS 4 Ca 0.12 -0.10 0.02 0.00 -2.18 0.00 0.00 60.65 58.51 2c4p h LYS 4 Cb -0.04 -0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 30.55 2c4p h LYS 4 CO -0.02 0.57 0.58 -0.09 -1.08 0.00 0.00 179.45 179.41 2c4p h ARG 5 N 0.21 1.11 0.38 3.15 9.65 0.69 0.12 114.38 129.68 2c4p h ARG 5 Ca 0.02 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 58.82 2c4p h ARG 5 Cb 0.73 -0.25 0.00 0.00 -1.39 0.00 0.00 29.97 29.06 2c4p h ARG 5 CO 0.06 0.73 -0.18 0.82 2.80 0.00 0.00 179.97 184.20 2c4p h ILE 6 N 1.14 0.57 -0.63 1.20 2.04 0.03 0.10 117.51 121.97 2c4p h ILE 6 Ca 0.34 -0.51 0.13 0.00 1.00 0.00 0.00 64.86 65.82 2c4p h ILE 6 Cb -0.05 0.81 -0.11 0.00 -0.74 0.00 0.00 36.82 36.73 2c4p h ILE 6 CO -0.09 0.09 -0.00 1.56 0.00 0.00 0.00 178.15 179.71 2c4p h GLN 7 N -0.82 0.11 -0.77 2.37 7.50 -0.81 0.36 115.11 123.05 2c4p h GLN 7 Ca -0.05 -0.01 0.01 0.00 0.50 0.00 0.00 58.65 59.10 2c4p h GLN 7 Cb 0.53 -0.02 -0.04 0.00 0.05 0.00 0.00 27.48 28.00 2c4p h GLN 7 CO 0.09 0.07 0.50 0.87 -1.50 0.00 0.00 178.83 178.86 2c4p h LYS 8 N 0.11 1.02 -0.32 1.46 6.56 -0.71 0.31 116.57 125.00 2c4p h LYS 8 Ca 0.33 -0.07 0.01 0.00 -1.06 0.00 0.00 60.65 59.86 2c4p h LYS 8 Cb 0.54 -0.23 -0.02 0.00 -0.57 0.00 0.00 32.23 31.96 2c4p h LYS 8 CO -0.55 0.69 0.21 0.93 -2.06 0.00 0.00 179.45 178.67 2c4p h GLU 9 N 1.05 0.41 0.00 3.15 4.39 0.16 -0.85 114.58 122.89 2c4p h GLU 9 Ca 0.28 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.92 2c4p h GLU 9 Cb -0.10 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.45 2c4p h GLU 9 CO -0.06 0.27 -0.36 1.25 -1.16 0.00 0.00 179.01 178.95 2c4p h LEU 10 N 0.42 0.00 -1.64 1.33 6.46 0.40 -1.09 115.31 121.19 2c4p h LEU 10 Ca 0.12 -0.26 0.16 0.00 -0.12 0.00 0.00 57.88 57.78 2c4p h LEU 10 Cb -0.02 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 39.86 2c4p h LEU 10 CO -0.03 0.83 0.50 0.77 -0.62 0.00 0.00 178.44 179.89 2c4p h SER 11 N -1.00 0.33 0.83 1.25 4.64 -0.43 0.20 113.55 119.36 2c4p h SER 11 Ca -0.06 0.02 -0.17 0.00 -0.47 0.00 0.00 61.79 61.12 2c4p h SER 11 Cb 0.54 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.56 2c4p h SER 11 CO -0.03 0.17 -1.27 -0.78 -0.87 0.00 0.00 176.83 174.04 2c4p h ASP 12 N 0.35 0.00 -0.55 4.97 1.82 -1.30 -3.26 116.42 118.45 2c4p h ASP 12 Ca 0.36 0.00 0.11 0.00 -0.39 0.00 0.00 57.03 57.11 2c4p h ASP 12 Cb 0.91 0.00 -0.09 0.00 0.68 0.00 0.00 39.33 40.83 2c4p h ASP 12 CO -0.10 0.61 -0.00 0.25 -1.61 0.00 0.00 179.24 178.38 2c4p h LEU 13 N 0.00 -0.24 -2.18 2.28 7.12 0.75 -2.80 115.31 120.24 2c4p h LEU 13 Ca -0.14 0.13 0.00 0.00 0.13 0.00 0.00 57.88 58.00 2c4p h LEU 13 Cb 1.59 0.24 0.00 0.00 -0.53 0.00 0.00 40.66 41.96 2c4p h LEU 13 CO 0.05 -0.09 0.00 0.00 -0.13 0.00 0.00 178.44 178.27 2c4p n GLN 14 N -5.26 2.44 -0.21 1.25 1.13 -1.02 -4.24 117.38 111.47 2c4p n GLN 14 Ca 0.07 -2.15 -0.01 0.00 -1.94 0.00 0.00 57.00 52.96 2c4p n GLN 14 Cb 0.31 -1.50 0.20 0.00 0.11 0.00 0.00 30.24 29.36 2c4p n GLN 14 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2c4p h ARG 15 N 4.48 0.99 -2.90 -1.09 3.08 -1.53 -3.17 114.38 114.24 2c4p h ARG 15 Ca 0.00 -0.11 -0.61 0.00 0.07 0.00 0.00 59.98 59.33 2c4p h ARG 15 Cb 0.98 -0.20 -0.40 0.00 0.08 0.00 0.00 29.97 30.43 2c4p h ARG 15 CO 0.00 0.73 -0.74 0.34 -1.07 0.00 0.00 179.97 179.23 2c4p s ASP 16 N -6.40 3.52 0.15 7.04 2.15 -1.26 -5.12 116.67 116.75 2c4p s ASP 16 Ca -0.11 -3.06 -0.31 0.00 0.43 0.00 0.00 52.55 49.50 2c4p s ASP 16 Cb 0.17 -1.09 -0.11 0.00 -0.30 0.00 0.00 42.92 41.59 2c4p s ASP 16 CO 0.80 -0.20 1.78 -2.16 -0.17 0.00 0.00 175.17 175.22 2c4p s PRO 17 N -0.22 4.14 0.06 4.34 0.04 -1.20 -4.92 135.00 137.24 2c4p s PRO 17 Ca 0.23 2.59 0.03 0.00 0.04 0.00 0.00 61.00 63.88 2c4p s PRO 17 Cb -0.13 -3.39 0.15 0.00 0.04 0.00 0.00 34.50 31.17 2c4p s PRO 17 CO -0.08 -0.80 0.93 -0.35 0.04 0.00 0.00 177.00 176.73 2c4p n PRO 18 N 5.00 0.02 -0.33 0.56 -0.04 -1.26 -4.82 135.00 134.13 2c4p n PRO 18 Ca 0.17 0.38 0.00 0.00 -0.04 0.00 0.00 63.50 64.01 2c4p n PRO 18 Cb 0.37 -1.75 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 2c4p n PRO 18 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2c4p n ALA 19 N -1.38 0.00 0.00 0.55 0.00 -1.26 -4.24 120.51 114.18 2c4p n ALA 19 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2c4p n ALA 19 Cb 0.19 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.07 2c4p n ALA 19 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2c4p n HIS 20 N -0.63 0.00 -4.51 0.00 -0.00 -1.26 -5.11 115.22 103.71 2c4p n HIS 20 Ca 0.00 0.00 -0.25 0.00 0.46 0.00 0.00 57.72 57.93 2c4p n HIS 20 Cb 0.10 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 29.87 2c4p n HIS 20 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2c4p s SER 22 N -3.56 -0.65 -0.02 0.00 1.04 -0.33 -4.52 113.70 105.65 2c4p s SER 22 Ca 0.31 1.19 -0.15 0.00 0.48 0.00 0.00 55.95 57.79 2c4p s SER 22 Cb 0.02 1.19 0.03 0.00 0.10 0.00 0.00 66.02 67.36 2c4p s SER 22 CO 0.15 -0.27 0.32 0.00 0.98 0.00 0.00 173.24 174.42 2c4p s ALA 23 N 0.12 -0.81 0.02 5.32 0.00 -1.26 0.64 121.76 125.79 2c4p s ALA 23 Ca -0.02 0.41 -0.29 0.00 0.00 0.00 0.00 51.96 52.06 2c4p s ALA 23 Cb -0.04 0.02 0.11 0.00 0.00 0.00 0.00 23.12 23.21 2c4p s ALA 23 CO 0.02 -0.25 1.22 0.20 0.00 0.00 0.00 175.76 176.95 2c4p s GLY 24 N -1.19 -0.35 0.13 0.00 0.00 -0.36 -4.98 107.32 100.57 2c4p s GLY 24 Ca -0.12 0.53 -0.31 0.00 0.00 0.00 0.00 44.72 44.82 2c4p s GLY 24 CO 0.04 0.43 1.27 2.56 0.00 0.00 0.00 173.10 177.40 2c4p s PRO 25 N -2.56 4.41 -0.28 2.90 0.04 -1.26 -0.94 135.00 137.31 2c4p s PRO 25 Ca 0.15 1.92 -0.25 0.00 0.04 0.00 0.00 61.00 62.86 2c4p s PRO 25 Cb 0.03 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.30 2c4p s PRO 25 CO -0.02 -0.26 0.86 0.08 0.04 0.00 0.00 177.00 177.69 2c4p s VAL 26 N 0.65 4.76 0.00 -0.36 1.01 -0.20 -4.87 120.40 121.39 2c4p s VAL 26 Ca 0.59 1.46 0.00 0.00 0.00 0.00 0.00 61.98 64.02 2c4p s VAL 26 Cb -0.33 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 31.86 2c4p s VAL 26 CO 0.33 -0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.82 2c4p n GLY 27 N 3.93 2.22 1.90 4.51 0.00 -1.26 -2.99 105.19 113.50 2c4p n GLY 27 Ca 0.06 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 2c4p n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2c4p n ASP 28 N 2.09 3.96 -4.04 1.61 8.00 -1.26 -4.83 116.55 122.07 2c4p n ASP 28 Ca 0.00 -3.15 -0.32 0.00 0.71 0.00 0.00 54.79 52.03 2c4p n ASP 28 Cb 0.00 -0.74 -0.15 0.00 -0.02 0.00 0.00 41.12 40.21 2c4p n ASP 28 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2c4p s ASP 29 N -0.80 4.71 0.00 -2.24 -1.08 -1.16 -4.95 116.67 111.16 2c4p s ASP 29 Ca 0.46 -1.93 0.18 0.00 -0.52 0.00 0.00 52.55 50.74 2c4p s ASP 29 Cb 0.37 -1.62 0.82 0.00 -1.46 0.00 0.00 42.92 41.03 2c4p s ASP 29 CO 0.10 -0.33 1.59 0.18 0.52 0.00 0.00 175.17 177.22 2c4p n LEU 30 N 4.32 0.00 -0.04 -1.34 7.99 -1.26 -2.08 117.00 124.59 2c4p n LEU 30 Ca -0.01 0.46 0.11 0.00 -0.01 0.00 0.00 56.01 56.55 2c4p n LEU 30 Cb 0.42 -0.46 -0.02 0.00 -0.11 0.00 0.00 43.42 43.25 2c4p n LEU 30 CO 0.22 -0.17 0.10 0.49 -1.51 0.00 0.00 177.39 176.52 2c4p n PHE 31 N -1.46 0.00 -4.05 -1.77 3.72 -1.26 -4.74 117.46 107.91 2c4p n PHE 31 Ca 0.05 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.14 2c4p n PHE 31 Cb 0.20 -0.06 -0.15 0.00 -0.94 0.00 0.00 39.48 38.54 2c4p n PHE 31 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 2c4p s HIS 32 N -2.95 3.45 0.43 1.38 2.46 -0.88 -0.24 115.29 118.94 2c4p s HIS 32 Ca 0.10 -2.57 0.07 0.00 0.47 0.00 0.00 55.06 53.12 2c4p s HIS 32 Cb 0.17 -2.29 -0.04 0.00 -0.13 0.00 0.00 32.58 30.29 2c4p s HIS 32 CO 0.80 -0.91 0.21 -1.58 -2.47 0.00 0.00 174.74 170.80 2c4p s TRP 33 N 1.03 2.47 -0.04 3.88 0.52 0.35 -1.04 118.94 126.10 2c4p s TRP 33 Ca -0.02 -0.63 -0.08 0.00 0.02 0.00 0.00 56.10 55.39 2c4p s TRP 33 Cb -0.20 -1.95 0.01 0.00 -1.15 0.00 0.00 33.47 30.18 2c4p s TRP 33 CO -0.06 0.09 0.19 -1.14 0.02 0.00 0.00 176.95 176.05 2c4p s GLN 34 N -3.96 0.36 0.24 4.98 -0.44 -0.12 -0.33 119.66 120.40 2c4p s GLN 34 Ca 0.39 0.00 0.01 0.00 -2.50 0.00 0.00 55.36 53.26 2c4p s GLN 34 Cb 0.03 0.16 -0.05 0.00 -1.64 0.00 0.00 33.01 31.51 2c4p s GLN 34 CO 0.22 -0.07 0.09 0.00 0.50 0.00 0.00 175.29 176.02 2c4p s ALA 35 N -0.54 1.60 -0.07 1.58 0.00 0.14 -1.22 121.76 123.25 2c4p s ALA 35 Ca -0.06 -1.80 -0.03 0.00 0.00 0.00 0.00 51.96 50.06 2c4p s ALA 35 Cb -0.04 1.02 0.04 0.00 0.00 0.00 0.00 23.12 24.14 2c4p s ALA 35 CO 0.01 -0.46 0.14 0.99 0.00 0.00 0.00 175.76 176.45 2c4p s THR 36 N -3.79 -0.14 -0.01 0.00 2.01 0.21 -0.54 115.64 113.36 2c4p s THR 36 Ca 0.36 0.27 0.05 0.00 0.31 0.00 0.00 61.69 62.67 2c4p s THR 36 Cb 0.07 -0.26 -0.03 0.00 0.01 0.00 0.00 72.50 72.30 2c4p s THR 36 CO 0.12 0.11 -0.15 -0.51 -0.69 0.00 0.00 174.62 173.50 2c4p s ILE 37 N 1.69 3.00 -0.14 1.82 -1.16 -0.51 -1.19 121.20 124.70 2c4p s ILE 37 Ca -0.03 -0.90 -0.05 0.00 -0.51 0.00 0.00 60.65 59.16 2c4p s ILE 37 Cb -0.12 -2.21 -0.04 0.00 0.61 0.00 0.00 42.46 40.70 2c4p s ILE 37 CO -0.06 0.49 0.03 -0.32 -2.81 0.00 0.00 174.94 172.27 2c4p s MET 38 N -1.04 3.56 0.10 3.50 -2.45 -1.13 -1.91 119.30 119.94 2c4p s MET 38 Ca 0.13 -0.37 -0.31 0.00 -1.25 0.00 0.00 55.69 53.89 2c4p s MET 38 Cb -0.11 -3.03 -0.10 0.00 1.25 0.00 0.00 34.83 32.84 2c4p s MET 38 CO 0.03 0.45 1.90 0.20 1.05 0.00 0.00 175.02 178.65 2c4p s GLY 39 N -0.17 1.37 -0.18 2.11 0.00 -1.07 -4.85 107.32 104.53 2c4p s GLY 39 Ca 0.06 1.42 -0.38 0.00 0.00 0.00 0.00 44.72 45.83 2c4p s GLY 39 CO 0.02 3.29 1.74 -1.05 0.00 0.00 0.00 173.10 177.10 2c4p n PRO 40 N 6.39 1.45 -0.41 2.90 -0.02 -1.26 -3.93 135.00 140.12 2c4p n PRO 40 Ca 0.19 0.53 0.33 0.00 -2.02 0.00 0.00 63.50 62.53 2c4p n PRO 40 Cb 0.39 -2.26 0.54 0.00 -0.02 0.00 0.00 33.50 32.16 2c4p n PRO 40 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2c4p n PRO 41 N 5.36 -0.02 -0.90 0.52 -0.02 -1.26 0.15 135.00 138.84 2c4p n PRO 41 Ca 0.24 0.92 0.06 0.00 -2.02 0.00 0.00 63.50 62.70 2c4p n PRO 41 Cb 0.18 -1.88 0.39 0.00 -0.02 0.00 0.00 33.50 32.18 2c4p n PRO 41 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2c4p n ASP 42 N -4.00 5.61 -4.65 2.55 9.92 -1.26 -4.81 116.55 119.91 2c4p n ASP 42 Ca 0.31 -2.97 -0.25 0.00 -0.53 0.00 0.00 54.79 51.36 2c4p n ASP 42 Cb 1.28 -0.69 -0.08 0.00 -0.64 0.00 0.00 41.12 40.99 2c4p n ASP 42 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 2c4p s SER 43 N -0.87 4.23 0.55 -2.24 1.04 0.41 -5.02 113.70 111.81 2c4p s SER 43 Ca 0.54 -0.99 0.24 0.00 0.48 0.00 0.00 55.95 56.22 2c4p s SER 43 Cb 0.42 -0.54 1.51 0.00 0.10 0.00 0.00 66.02 67.51 2c4p s SER 43 CO 0.15 -0.27 2.14 0.00 0.98 0.00 0.00 173.24 176.24 2c4p h ALA 44 N 1.76 1.93 -0.75 5.32 0.00 -1.88 -2.12 119.26 123.51 2c4p h ALA 44 Ca -0.43 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.19 2c4p h ALA 44 Cb 1.25 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.88 2c4p h ALA 44 CO 0.67 -0.18 0.37 0.66 0.00 0.00 0.00 179.25 180.77 2c4p n TYR 45 N -4.18 2.42 -2.18 0.00 4.02 -1.26 -3.66 117.16 112.32 2c4p n TYR 45 Ca 0.00 -1.31 -0.34 0.00 -0.01 0.00 0.00 57.90 56.24 2c4p n TYR 45 Cb 0.23 -0.72 0.00 0.00 -0.02 0.00 0.00 39.34 38.83 2c4p n TYR 45 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 2c4p s GLN 46 N -2.81 3.34 0.00 -0.72 -2.07 -0.80 -3.16 119.66 113.44 2c4p s GLN 46 Ca 0.50 1.43 0.00 0.00 -1.82 0.00 0.00 55.36 55.47 2c4p s GLN 46 Cb 0.41 -2.02 0.00 0.00 -1.09 0.00 0.00 33.01 30.31 2c4p s GLN 46 CO 0.12 -0.82 0.00 0.41 -1.32 0.00 0.00 175.29 173.67 2c4p n GLY 47 N -0.30 1.77 3.91 2.60 0.00 -1.25 -4.89 105.19 107.03 2c4p n GLY 47 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 2c4p n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2c4p s GLY 48 N -2.00 1.95 -0.20 -0.02 0.00 -1.19 -4.83 107.32 101.04 2c4p s GLY 48 Ca 0.00 -0.68 -0.03 0.00 0.00 0.00 0.00 44.72 44.01 2c4p s GLY 48 CO 0.00 -0.61 -0.07 0.14 0.00 0.00 0.00 173.10 172.56 2c4p s VAL 49 N -1.85 3.25 -0.15 1.40 1.01 0.11 -2.59 120.40 121.58 2c4p s VAL 49 Ca 0.41 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 2c4p s VAL 49 Cb -0.11 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 2c4p s VAL 49 CO 0.28 0.45 -0.13 -0.36 0.00 0.00 0.00 175.10 175.34 2c4p s PHE 50 N 1.28 2.82 -0.13 5.22 0.08 -0.80 -4.58 117.98 121.88 2c4p s PHE 50 Ca 0.03 -0.79 -0.11 0.00 0.12 0.00 0.00 56.93 56.19 2c4p s PHE 50 Cb -0.14 -1.89 -0.05 0.00 -0.57 0.00 0.00 43.02 40.37 2c4p s PHE 50 CO -0.03 -0.33 0.22 -0.06 -0.10 0.00 0.00 175.22 174.93 2c4p s PHE 51 N 0.62 3.55 0.04 0.36 0.40 -1.26 -1.43 117.98 120.25 2c4p s PHE 51 Ca -0.07 0.58 0.07 0.00 -0.60 0.00 0.00 56.93 56.91 2c4p s PHE 51 Cb -0.15 -2.14 -0.02 0.00 0.51 0.00 0.00 43.02 41.21 2c4p s PHE 51 CO 0.03 0.50 -0.20 -0.51 0.70 0.00 0.00 175.22 175.74 2c4p s LEU 52 N -0.37 2.15 -0.24 -0.37 2.01 0.29 0.04 118.68 122.20 2c4p s LEU 52 Ca 0.15 -0.50 -0.03 0.00 0.01 0.00 0.00 54.13 53.76 2c4p s LEU 52 Cb -0.13 -0.97 0.01 0.00 0.01 0.00 0.00 46.19 45.12 2c4p s LEU 52 CO 0.04 0.17 -0.05 0.28 1.01 0.00 0.00 176.35 177.80 2c4p s THR 53 N -0.77 3.09 -0.22 5.49 -1.32 -0.56 0.27 115.64 121.63 2c4p s THR 53 Ca 0.07 -0.81 -0.07 0.00 -1.21 0.00 0.00 61.69 59.67 2c4p s THR 53 Cb -0.09 -2.50 -0.03 0.00 -1.51 0.00 0.00 72.50 68.37 2c4p s THR 53 CO 0.01 0.29 0.07 -0.69 -2.21 0.00 0.00 174.62 172.09 2c4p s VAL 54 N 1.39 4.54 -0.20 5.08 1.01 0.56 -1.80 120.40 130.98 2c4p s VAL 54 Ca 0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.87 2c4p s VAL 54 Cb -0.16 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 2c4p s VAL 54 CO -0.04 0.39 -0.06 -1.00 0.00 0.00 0.00 175.10 174.38 2c4p s HIS 55 N 1.08 2.93 -0.06 5.22 3.76 0.27 0.13 115.29 128.61 2c4p s HIS 55 Ca 0.04 -0.91 -0.22 0.00 -0.15 0.00 0.00 55.06 53.83 2c4p s HIS 55 Cb -0.14 -2.05 -0.04 0.00 1.11 0.00 0.00 32.58 31.46 2c4p s HIS 55 CO 0.03 -0.49 0.63 -0.06 -0.85 0.00 0.00 174.74 174.00 2c4p s PHE 56 N 1.26 3.58 0.25 1.40 0.40 0.67 0.23 117.98 125.77 2c4p s PHE 56 Ca 0.03 1.16 -0.30 0.00 -0.60 0.00 0.00 56.93 57.22 2c4p s PHE 56 Cb -0.14 -2.71 -0.09 0.00 0.51 0.00 0.00 43.02 40.59 2c4p s PHE 56 CO -0.02 0.16 1.20 -1.25 0.70 0.00 0.00 175.22 176.00 2c4p s PRO 57 N 0.56 4.50 0.56 0.24 0.04 -1.26 -4.90 135.00 134.74 2c4p s PRO 57 Ca 0.34 1.94 0.31 0.00 0.04 0.00 0.00 61.00 63.63 2c4p s PRO 57 Cb -0.17 -3.18 1.46 0.00 0.04 0.00 0.00 34.50 32.65 2c4p s PRO 57 CO 0.16 -0.02 1.84 1.15 0.04 0.00 0.00 177.00 180.17 2c4p h THR 58 N 3.38 0.42 -0.55 1.26 2.02 -1.98 0.14 112.91 117.60 2c4p h THR 58 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.72 2c4p h THR 58 Cb 1.22 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 2c4p h THR 58 CO 0.70 0.00 0.00 -0.90 0.37 0.00 0.00 175.52 175.69 2c4p n ASP 59 N -4.00 3.06 -4.66 4.18 5.75 -1.26 -1.38 116.55 118.23 2c4p n ASP 59 Ca 0.17 -2.03 -0.34 0.00 -0.01 0.00 0.00 54.79 52.57 2c4p n ASP 59 Cb 0.96 -0.39 0.12 0.00 -1.03 0.00 0.00 41.12 40.78 2c4p n ASP 59 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2c4p n TYR 60 N 1.10 1.03 1.63 2.11 9.36 0.49 -2.46 117.16 130.42 2c4p n TYR 60 Ca 0.19 0.40 0.07 0.00 3.32 0.00 0.00 57.90 61.87 2c4p n TYR 60 Cb 0.49 -2.09 0.32 0.00 -0.63 0.00 0.00 39.34 37.44 2c4p n TYR 60 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2c4p n PRO 61 N -2.85 1.32 -0.26 2.98 -0.04 -1.26 -3.90 135.00 130.98 2c4p n PRO 61 Ca 0.13 -0.48 -0.00 0.00 -0.04 0.00 0.00 63.50 63.11 2c4p n PRO 61 Cb 0.50 -1.25 0.21 0.00 -0.04 0.00 0.00 33.50 32.92 2c4p n PRO 61 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2c4p h PHE 62 N 0.89 1.04 -2.33 0.54 -1.00 -1.83 -3.38 116.94 110.87 2c4p h PHE 62 Ca 0.00 0.02 -0.52 0.00 2.81 0.00 0.00 57.97 60.29 2c4p h PHE 62 Cb 0.20 -0.35 -0.05 0.00 3.61 0.00 0.00 35.95 39.36 2c4p h PHE 62 CO 0.06 0.65 -0.52 0.21 -1.61 0.00 0.00 178.31 177.11 2c4p s LYS 63 N -5.92 3.02 0.74 1.51 2.20 -1.26 -4.59 119.74 115.44 2c4p s LYS 63 Ca -0.12 -0.95 -0.11 0.00 -0.36 0.00 0.00 55.97 54.44 2c4p s LYS 63 Cb 0.18 -2.65 0.04 0.00 -1.51 0.00 0.00 37.83 33.89 2c4p s LYS 63 CO 0.79 0.43 1.08 -1.25 -0.36 0.00 0.00 175.35 176.04 2c4p s PRO 64 N -3.66 2.54 0.31 4.03 0.04 -1.26 -4.67 135.00 132.33 2c4p s PRO 64 Ca 0.33 1.09 -0.25 0.00 0.04 0.00 0.00 61.00 62.20 2c4p s PRO 64 Cb -0.09 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.42 2c4p s PRO 64 CO 0.25 -1.42 0.91 -1.25 0.04 0.00 0.00 177.00 175.53 2c4p s PRO 65 N -4.94 4.53 -0.65 0.56 0.04 -1.26 -4.55 135.00 128.72 2c4p s PRO 65 Ca 0.60 1.25 -0.24 0.00 0.04 0.00 0.00 61.00 62.65 2c4p s PRO 65 Cb -0.16 -2.81 0.05 0.00 0.04 0.00 0.00 34.50 31.62 2c4p s PRO 65 CO 0.55 0.30 1.04 0.21 0.04 0.00 0.00 177.00 179.14 2c4p s LYS 66 N -2.04 3.18 0.03 4.56 2.47 0.14 -4.89 119.74 123.19 2c4p s LYS 66 Ca 0.49 -0.56 0.09 0.00 -1.56 0.00 0.00 55.97 54.43 2c4p s LYS 66 Cb -0.18 -4.18 -0.03 0.00 -1.46 0.00 0.00 37.83 31.98 2c4p s LYS 66 CO 0.23 -1.82 -0.25 0.96 0.16 0.00 0.00 175.35 174.63 2c4p s ILE 67 N 4.44 2.23 0.07 5.43 -0.00 -1.26 0.96 121.20 133.06 2c4p s ILE 67 Ca 0.27 -1.31 0.03 0.00 -0.00 0.00 0.00 60.65 59.64 2c4p s ILE 67 Cb -0.14 -1.86 -0.03 0.00 -0.00 0.00 0.00 42.46 40.43 2c4p s ILE 67 CO 0.13 0.40 -0.09 0.00 -0.00 0.00 0.00 174.94 175.38 2c4p s ALA 68 N -0.79 0.84 -0.44 2.27 0.00 -0.74 -4.41 121.76 118.49 2c4p s ALA 68 Ca 0.12 -0.96 -0.20 0.00 0.00 0.00 0.00 51.96 50.92 2c4p s ALA 68 Cb -0.10 0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.07 2c4p s ALA 68 CO 0.02 -0.02 0.59 0.12 0.00 0.00 0.00 175.76 176.47 2c4p s PHE 69 N -1.85 3.09 0.15 0.00 2.19 0.29 -1.49 117.98 120.37 2c4p s PHE 69 Ca -0.03 -0.17 0.06 0.00 0.33 0.00 0.00 56.93 57.12 2c4p s PHE 69 Cb -0.07 -3.23 -0.07 0.00 -1.31 0.00 0.00 43.02 38.34 2c4p s PHE 69 CO 0.00 -0.83 1.35 1.15 1.83 0.00 0.00 175.22 178.72 2c4p h THR 70 N 5.84 1.62 -3.34 0.12 2.02 -0.68 -3.29 112.91 115.20 2c4p h THR 70 Ca -0.26 -3.04 -0.57 0.00 0.77 0.00 0.00 66.41 63.32 2c4p h THR 70 Cb 1.10 2.66 -0.06 0.00 -1.74 0.00 0.00 68.15 70.11 2c4p h THR 70 CO 0.87 0.87 -0.00 -0.89 0.37 0.00 0.00 175.52 176.74 2c4p s THR 71 N -2.95 5.05 0.28 3.16 2.01 -1.18 -4.93 115.64 117.08 2c4p s THR 71 Ca -0.00 1.26 -0.30 0.00 0.31 0.00 0.00 61.69 62.96 2c4p s THR 71 Cb 0.10 -3.95 -0.12 0.00 0.01 0.00 0.00 72.50 68.54 2c4p s THR 71 CO 0.81 0.31 1.47 0.29 -0.69 0.00 0.00 174.62 176.82 2c4p n LYS 72 N 3.49 2.34 -3.75 4.92 4.01 -1.26 -4.87 118.16 123.04 2c4p n LYS 72 Ca -0.04 0.83 -0.12 0.00 -0.51 0.00 0.00 58.31 58.46 2c4p n LYS 72 Cb 0.51 -2.53 -0.12 0.00 -0.51 0.00 0.00 35.03 32.38 2c4p n LYS 72 CO 0.00 0.00 0.00 -1.50 -1.11 0.00 0.00 177.40 174.79 2c4p s ILE 73 N -0.22 -0.02 -1.22 -0.18 2.07 -1.26 -4.72 121.20 115.64 2c4p s ILE 73 Ca 0.64 0.08 -0.16 0.00 -1.41 0.00 0.00 60.65 59.80 2c4p s ILE 73 Cb -0.57 -0.40 0.13 0.00 0.13 0.00 0.00 42.46 41.75 2c4p s ILE 73 CO 0.52 0.03 1.53 -0.47 -1.91 0.00 0.00 174.94 174.64 2c4p s TYR 74 N 0.76 3.20 -0.01 3.50 5.04 -1.26 -4.88 117.35 123.71 2c4p s TYR 74 Ca -0.05 -1.89 0.03 0.00 -2.44 0.00 0.00 57.07 52.72 2c4p s TYR 74 Cb -0.06 -4.49 -0.01 0.00 0.35 0.00 0.00 41.96 37.75 2c4p s TYR 74 CO -0.05 -1.57 -0.10 -1.58 -1.34 0.00 0.00 175.55 170.92 2c4p s HIS 75 N 2.68 0.88 0.32 4.97 2.46 -1.26 -4.65 115.29 120.69 2c4p s HIS 75 Ca 0.46 -0.17 0.19 0.00 0.47 0.00 0.00 55.06 56.02 2c4p s HIS 75 Cb -0.00 -0.56 0.95 0.00 -0.13 0.00 0.00 32.58 32.84 2c4p s HIS 75 CO 0.02 -0.01 1.88 -1.00 -2.47 0.00 0.00 174.74 173.16 2c4p h PRO 76 N 5.90 0.00 -0.66 2.88 0.13 -1.88 -2.85 132.00 135.52 2c4p h PRO 76 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2c4p h PRO 76 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2c4p h PRO 76 CO 0.49 0.28 0.00 0.09 -0.23 0.00 0.00 178.00 178.64 2c4p n ASN 77 N -3.78 4.56 -3.78 1.44 3.02 -1.26 -0.87 115.26 114.59 2c4p n ASN 77 Ca -0.01 -2.63 -0.13 0.00 -0.03 0.00 0.00 54.58 51.77 2c4p n ASN 77 Cb 0.38 -0.61 -0.11 0.00 -0.61 0.00 0.00 39.78 38.82 2c4p n ASN 77 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2c4p s ILE 78 N -2.23 0.01 0.00 2.41 1.01 -1.08 -2.21 121.20 119.11 2c4p s ILE 78 Ca 0.43 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 61.01 2c4p s ILE 78 Cb 0.31 -0.40 0.00 0.00 0.01 0.00 0.00 42.46 42.38 2c4p s ILE 78 CO 0.15 -0.04 0.00 -0.46 0.00 0.00 0.00 174.94 174.59 2c4p n ASN 79 N 2.73 1.28 0.25 3.58 2.04 -1.15 -4.49 115.26 119.51 2c4p n ASN 79 Ca -0.14 -0.84 0.17 0.00 -0.44 0.00 0.00 54.58 53.34 2c4p n ASN 79 Cb 0.58 0.00 0.89 0.00 -2.53 0.00 0.00 39.78 38.72 2c4p n ASN 79 CO 0.00 0.00 0.00 0.77 -0.44 0.00 0.00 177.26 177.59 2c4p h SER 80 N 0.00 0.00 -0.44 0.53 4.64 -1.93 -2.04 113.55 114.30 2c4p h SER 80 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2c4p h SER 80 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2c4p h SER 80 CO 0.00 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.50 2c4p n ASN 81 N -2.71 3.37 0.00 4.97 0.23 -1.26 -4.96 115.26 114.90 2c4p n ASN 81 Ca -0.02 -2.12 0.00 0.00 -0.53 0.00 0.00 54.58 51.91 2c4p n ASN 81 Cb 0.08 -0.34 0.00 0.00 -2.08 0.00 0.00 39.78 37.44 2c4p n ASN 81 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2c4p n GLY 82 N 0.71 0.54 3.76 4.83 0.00 -0.77 -4.65 105.19 109.60 2c4p n GLY 82 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2c4p n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2c4p s SER 83 N -2.32 6.59 -0.12 1.61 0.01 -1.26 0.11 113.70 118.32 2c4p s SER 83 Ca 0.00 2.78 -0.01 0.00 1.31 0.00 0.00 55.95 60.04 2c4p s SER 83 Cb 0.00 -2.64 -0.02 0.00 0.21 0.00 0.00 66.02 63.57 2c4p s SER 83 CO 0.00 -0.71 -0.10 -0.63 0.41 0.00 0.00 173.24 172.20 2c4p s ILE 84 N -0.54 3.31 -0.61 1.44 1.01 -1.26 -2.96 121.20 121.59 2c4p s ILE 84 Ca 0.56 -0.58 -0.04 0.00 0.00 0.00 0.00 60.65 60.59 2c4p s ILE 84 Cb -0.43 -2.40 0.16 0.00 0.01 0.00 0.00 42.46 39.80 2c4p s ILE 84 CO 0.50 0.53 0.44 0.00 0.00 0.00 0.00 174.94 176.41 2c4p s LEU 86 N 0.09 2.51 0.20 0.00 2.96 -1.26 -4.95 118.68 118.23 2c4p s LEU 86 Ca 0.16 -0.30 -0.12 0.00 -0.22 0.00 0.00 54.13 53.64 2c4p s LEU 86 Cb -0.20 -1.49 0.25 0.00 0.50 0.00 0.00 46.19 45.25 2c4p s LEU 86 CO -0.04 0.31 1.66 -2.24 -1.32 0.00 0.00 176.35 174.72 2c4p h ASP 87 N 5.59 -0.34 0.29 3.68 3.04 -1.98 -0.24 116.42 126.47 2c4p h ASP 87 Ca -0.42 0.15 0.00 0.00 -3.24 0.00 0.00 57.03 53.52 2c4p h ASP 87 Cb 1.15 0.28 0.00 0.00 -1.04 0.00 0.00 39.33 39.73 2c4p h ASP 87 CO 0.50 -0.13 0.00 2.30 -2.04 0.00 0.00 179.24 179.87 2c4p n ILE 88 N -5.31 0.63 1.03 4.15 -5.35 -1.26 0.57 119.36 113.82 2c4p n ILE 88 Ca 0.08 0.16 0.13 0.00 -0.27 0.00 0.00 62.75 62.84 2c4p n ILE 88 Cb 0.32 -0.92 0.61 0.00 -1.74 0.00 0.00 39.64 37.92 2c4p n ILE 88 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2c4p n LEU 89 N -1.30 0.00 0.00 7.28 4.32 -0.10 -3.71 117.00 123.49 2c4p n LEU 89 Ca 0.07 0.45 0.00 0.00 -0.02 0.00 0.00 56.01 56.50 2c4p n LEU 89 Cb 0.12 -0.45 0.00 0.00 -1.62 0.00 0.00 43.42 41.47 2c4p n LEU 89 CO 0.11 -0.03 0.00 -1.14 -1.22 0.00 0.00 177.39 175.11 2c4p n ARG 90 N -1.45 0.00 -0.26 3.23 3.00 -1.12 -4.66 116.66 115.41 2c4p n ARG 90 Ca 0.08 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.87 2c4p n ARG 90 Cb 0.29 0.00 0.06 0.00 0.00 0.00 0.00 32.46 32.82 2c4p n ARG 90 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 2c4p h SER 91 N 0.00 1.07 -0.89 6.15 0.02 -1.30 -3.31 113.55 115.29 2c4p h SER 91 Ca 0.00 -0.21 -0.40 0.00 -0.84 0.00 0.00 61.79 60.34 2c4p h SER 91 Cb 0.00 -0.28 -0.41 0.00 0.14 0.00 0.00 62.40 61.85 2c4p h SER 91 CO 0.00 1.01 -1.03 0.00 -1.14 0.00 0.00 176.83 175.66 2c4p n GLN 92 N -4.24 2.10 -3.60 3.45 6.02 0.19 -4.97 117.38 116.34 2c4p n GLN 92 Ca 0.06 -3.70 -0.35 0.00 -0.01 0.00 0.00 57.00 53.01 2c4p n GLN 92 Cb 0.24 -1.69 -0.05 0.00 1.02 0.00 0.00 30.24 29.76 2c4p n GLN 92 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 2c4p s TRP 93 N -3.47 3.58 0.02 1.08 -0.11 -1.24 -4.50 118.94 114.29 2c4p s TRP 93 Ca 0.34 0.75 0.02 0.00 1.22 0.00 0.00 56.10 58.44 2c4p s TRP 93 Cb 0.40 -2.13 -0.01 0.00 -1.50 0.00 0.00 33.47 30.22 2c4p s TRP 93 CO -0.03 0.53 -0.07 0.45 -4.62 0.00 0.00 176.95 173.21 2c4p s SER 94 N -1.77 0.80 0.54 5.86 0.15 -1.26 -4.99 113.70 113.02 2c4p s SER 94 Ca 0.33 -0.30 0.29 0.00 0.70 0.00 0.00 55.95 56.96 2c4p s SER 94 Cb -0.14 -0.03 1.44 0.00 -1.71 0.00 0.00 66.02 65.58 2c4p s SER 94 CO 0.18 -0.04 1.94 -0.65 1.20 0.00 0.00 173.24 175.87 2c4p h PRO 95 N 5.34 0.00 0.01 5.44 0.11 -1.81 -1.77 132.00 139.32 2c4p h PRO 95 Ca -0.32 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.81 2c4p h PRO 95 Cb 1.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2c4p h PRO 95 CO 0.46 0.00 -0.10 0.00 -0.21 0.00 0.00 178.00 178.15 2c4p h ALA 96 N 1.64 -0.12 -2.49 -0.75 0.00 -1.96 -3.44 119.26 112.14 2c4p h ALA 96 Ca 0.34 0.01 -0.58 0.00 0.00 0.00 0.00 54.91 54.67 2c4p h ALA 96 Cb 1.37 0.17 0.14 0.00 0.00 0.00 0.00 17.79 19.48 2c4p h ALA 96 CO -0.00 -0.59 0.05 1.28 0.00 0.00 0.00 179.25 179.99 2c4p n LEU 97 N -5.23 2.47 -4.68 0.00 4.77 -0.67 -5.01 117.00 108.65 2c4p n LEU 97 Ca -0.06 0.94 -0.24 0.00 -0.03 0.00 0.00 56.01 56.63 2c4p n LEU 97 Cb 0.15 -1.32 -0.07 0.00 -2.33 0.00 0.00 43.42 39.84 2c4p n LEU 97 CO 0.28 -1.84 -0.25 0.42 -1.33 0.00 0.00 177.39 174.68 2c4p s THR 98 N -1.39 2.84 0.28 -5.08 -4.23 -1.26 -4.96 115.64 101.83 2c4p s THR 98 Ca 0.67 -1.83 -0.01 0.00 -1.18 0.00 0.00 61.69 59.34 2c4p s THR 98 Cb -0.52 -2.89 0.28 0.00 1.34 0.00 0.00 72.50 70.71 2c4p s THR 98 CO 0.54 -0.19 1.88 0.58 -0.54 0.00 0.00 174.62 176.89 2c4p h VAL 99 N 1.67 1.05 -0.19 2.29 2.07 -1.95 -0.57 116.25 120.63 2c4p h VAL 99 Ca -0.43 -0.38 0.05 0.00 0.82 0.00 0.00 66.70 66.75 2c4p h VAL 99 Cb 1.25 -0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 2c4p h VAL 99 CO 0.65 0.20 -0.16 0.28 0.02 0.00 0.00 177.57 178.57 2c4p h SER 100 N 1.12 -0.50 -0.24 0.57 0.02 -1.95 -1.87 113.55 110.71 2c4p h SER 100 Ca 0.44 0.10 0.06 0.00 -0.84 0.00 0.00 61.79 61.55 2c4p h SER 100 Cb 0.23 0.25 -0.07 0.00 0.14 0.00 0.00 62.40 62.95 2c4p h SER 100 CO -0.18 -0.20 -0.30 0.11 -1.14 0.00 0.00 176.83 175.12 2c4p h LYS 101 N -0.17 -0.30 -0.89 3.45 6.56 -1.53 0.42 116.57 124.11 2c4p h LYS 101 Ca 0.12 0.02 0.24 0.00 -1.06 0.00 0.00 60.65 59.97 2c4p h LYS 101 Cb 0.34 0.07 -0.05 0.00 -0.57 0.00 0.00 32.23 32.02 2c4p h LYS 101 CO -0.29 -0.20 0.63 0.28 -2.06 0.00 0.00 179.45 177.81 2c4p h VAL 102 N -0.31 0.59 0.39 0.50 2.07 -0.58 -0.55 116.25 118.35 2c4p h VAL 102 Ca 0.13 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 2c4p h VAL 102 Cb 0.52 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2c4p h VAL 102 CO -0.41 0.02 -0.19 -0.07 0.02 0.00 0.00 177.57 176.94 2c4p h LEU 103 N 0.12 -0.45 -1.64 2.57 3.38 -0.18 -1.36 115.31 117.75 2c4p h LEU 103 Ca 0.44 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.29 2c4p h LEU 103 Cb 1.55 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.40 2c4p h LEU 103 CO -0.06 -0.16 -0.07 -0.07 0.09 0.00 0.00 178.44 178.17 2c4p h LEU 104 N -0.74 0.13 -0.15 1.67 -0.00 -1.04 0.17 115.31 115.36 2c4p h LEU 104 Ca -0.05 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.80 2c4p h LEU 104 Cb 0.51 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.13 2c4p h LEU 104 CO 0.09 0.22 0.07 0.28 -0.00 0.00 0.00 178.44 179.10 2c4p h SER 105 N 0.14 0.19 0.18 -0.43 0.02 -0.93 -0.24 113.55 112.47 2c4p h SER 105 Ca 0.03 -0.12 -0.14 0.00 -0.84 0.00 0.00 61.79 60.73 2c4p h SER 105 Cb 0.21 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 2c4p h SER 105 CO 0.01 0.25 -0.51 0.40 -1.14 0.00 0.00 176.83 175.85 2c4p h ILE 106 N 0.11 1.34 -0.63 3.27 1.08 -0.68 -0.37 117.51 121.63 2c4p h ILE 106 Ca 0.05 -1.75 0.02 0.00 -0.39 0.00 0.00 64.86 62.80 2c4p h ILE 106 Cb 0.11 1.79 -0.04 0.00 -3.07 0.00 0.00 36.82 35.61 2c4p h ILE 106 CO -0.01 0.53 0.40 0.00 -0.69 0.00 0.00 178.15 178.38 2c4p h SER 108 N 0.78 0.29 -0.86 0.00 0.02 -0.94 -3.13 113.55 109.71 2c4p h SER 108 Ca 0.25 -0.26 0.04 0.00 -0.84 0.00 0.00 61.79 60.98 2c4p h SER 108 Cb 0.00 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.40 2c4p h SER 108 CO -0.10 1.10 0.56 0.25 -1.14 0.00 0.00 176.83 177.51 2c4p h LEU 109 N 0.10 0.90 -0.23 5.07 6.46 -0.25 0.85 115.31 128.21 2c4p h LEU 109 Ca -0.06 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.68 2c4p h LEU 109 Cb 1.64 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 41.36 2c4p h LEU 109 CO 0.15 0.61 0.11 -0.07 -0.62 0.00 0.00 178.44 178.62 2c4p h LEU 110 N 1.04 0.30 0.73 2.25 3.38 -0.75 -2.25 115.31 120.01 2c4p h LEU 110 Ca 0.35 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 2c4p h LEU 110 Cb 0.07 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 40.75 2c4p h LEU 110 CO -0.11 0.34 -0.35 0.00 0.09 0.00 0.00 178.44 178.41 2c4p s ASP 112 N -4.42 5.15 0.91 0.00 2.15 0.28 -5.00 116.67 115.74 2c4p s ASP 112 Ca -0.16 -2.84 -0.12 0.00 0.43 0.00 0.00 52.55 49.86 2c4p s ASP 112 Cb 0.02 -1.83 0.13 0.00 -0.30 0.00 0.00 42.92 40.94 2c4p s ASP 112 CO 0.49 -0.36 1.12 -2.16 -0.17 0.00 0.00 175.17 174.09 2c4p s PRO 113 N -0.05 1.18 -0.56 4.34 0.04 -0.85 -4.36 135.00 134.74 2c4p s PRO 113 Ca 0.17 0.42 -0.06 0.00 0.04 0.00 0.00 61.00 61.57 2c4p s PRO 113 Cb -0.21 -1.83 0.15 0.00 0.04 0.00 0.00 34.50 32.65 2c4p s PRO 113 CO -0.03 -2.20 0.41 1.21 0.04 0.00 0.00 177.00 176.43 2c4p s ASN 114 N -3.87 5.59 0.07 6.66 3.84 -1.26 -5.01 114.94 120.96 2c4p s ASN 114 Ca 0.63 -2.38 -0.23 0.00 0.21 0.00 0.00 52.86 51.10 2c4p s ASN 114 Cb -0.16 -1.95 -0.14 0.00 -0.55 0.00 0.00 41.25 38.46 2c4p s ASN 114 CO 0.54 -0.53 1.63 1.55 -2.79 0.00 0.00 177.10 177.51 2c4p h PRO 115 N 7.78 0.07 0.00 0.43 0.13 -1.96 -3.03 132.00 135.41 2c4p h PRO 115 Ca -0.09 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2c4p h PRO 115 Cb 1.02 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2c4p h PRO 115 CO 0.76 0.17 0.00 -0.25 -0.23 0.00 0.00 178.00 178.45 2c4p n ASP 116 N -4.99 0.00 -2.05 1.44 9.92 -1.26 -2.35 116.55 117.26 2c4p n ASP 116 Ca -0.06 -0.07 -0.26 0.00 -0.53 0.00 0.00 54.79 53.87 2c4p n ASP 116 Cb 0.09 -0.22 0.06 0.00 -0.64 0.00 0.00 41.12 40.41 2c4p n ASP 116 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2c4p n ASP 117 N -1.22 5.66 -4.66 -2.24 2.03 -1.14 -5.08 116.55 109.90 2c4p n ASP 117 Ca 0.08 -3.77 -0.35 0.00 0.52 0.00 0.00 54.79 51.28 2c4p n ASP 117 Cb 0.11 -0.61 0.10 0.00 -0.72 0.00 0.00 41.12 40.00 2c4p n ASP 117 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2c4p n PRO 118 N -0.83 0.45 -0.00 -0.67 -0.04 -0.99 -4.76 135.00 128.16 2c4p n PRO 118 Ca 0.50 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 64.18 2c4p n PRO 118 Cb 0.87 -2.35 -0.00 0.00 -0.04 0.00 0.00 33.50 31.98 2c4p n PRO 118 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2c4p n LEU 119 N -2.33 0.00 -3.45 1.53 7.94 -0.05 -4.81 117.00 115.83 2c4p n LEU 119 Ca 0.14 -0.02 -0.28 0.00 -1.11 0.00 0.00 56.01 54.73 2c4p n LEU 119 Cb 0.50 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.33 2c4p n LEU 119 CO 0.48 0.00 -0.31 -0.69 -1.11 0.00 0.00 177.39 175.76 2c4p s VAL 120 N -1.99 0.14 0.33 1.96 1.01 -1.09 -4.82 120.40 115.94 2c4p s VAL 120 Ca -0.00 -1.80 0.09 0.00 0.00 0.00 0.00 61.98 60.26 2c4p s VAL 120 Cb 0.00 -1.11 0.40 0.00 0.00 0.00 0.00 36.38 35.67 2c4p s VAL 120 CO 0.02 -1.01 1.57 -0.65 0.00 0.00 0.00 175.10 175.03 2c4p h PRO 121 N 6.83 0.00 -0.38 2.72 0.11 -1.87 -1.95 132.00 137.46 2c4p h PRO 121 Ca 0.09 -0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.06 2c4p h PRO 121 Cb 0.97 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 2c4p h PRO 121 CO 0.27 0.00 -0.31 0.22 -0.21 0.00 0.00 178.00 177.97 2c4p h ASP 122 N 0.00 0.94 1.10 -2.05 3.58 -1.98 0.14 116.42 118.15 2c4p h ASP 122 Ca 0.69 -0.45 -0.07 0.00 0.42 0.00 0.00 57.03 57.62 2c4p h ASP 122 Cb 1.60 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 42.37 2c4p h ASP 122 CO -0.88 1.19 -0.34 -0.29 -2.88 0.00 0.00 179.24 176.03 2c4p h ILE 123 N 0.70 0.72 0.02 2.25 2.10 -1.82 -1.14 117.51 120.35 2c4p h ILE 123 Ca 0.07 -1.56 -0.21 0.00 1.08 0.00 0.00 64.86 64.24 2c4p h ILE 123 Cb 0.89 2.01 -0.02 0.00 -1.09 0.00 0.00 36.82 38.61 2c4p h ILE 123 CO 0.08 0.34 -1.01 0.00 -1.08 0.00 0.00 178.15 176.48 2c4p h ALA 124 N 1.66 0.35 -0.01 0.18 0.00 -1.19 -2.62 119.26 117.62 2c4p h ALA 124 Ca -0.00 -0.88 -0.19 0.00 0.00 0.00 0.00 54.91 53.84 2c4p h ALA 124 Cb 0.99 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2c4p h ALA 124 CO 0.04 1.17 -0.82 0.37 0.00 0.00 0.00 179.25 180.02 2c4p h GLN 125 N 0.01 0.22 -0.26 0.00 4.15 -0.43 -2.74 115.11 116.06 2c4p h GLN 125 Ca -0.03 -0.21 -0.14 0.00 0.77 0.00 0.00 58.65 59.03 2c4p h GLN 125 Cb 1.75 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 29.50 2c4p h GLN 125 CO 0.14 0.92 -0.39 0.97 -1.93 0.00 0.00 178.83 178.54 2c4p h ILE 126 N 0.13 1.30 0.36 2.39 2.10 -1.22 -0.98 117.51 121.58 2c4p h ILE 126 Ca -0.04 -1.58 -0.01 0.00 1.08 0.00 0.00 64.86 64.31 2c4p h ILE 126 Cb 1.42 1.68 -0.01 0.00 -1.09 0.00 0.00 36.82 38.82 2c4p h ILE 126 CO 0.13 0.51 -0.31 0.22 -1.08 0.00 0.00 178.15 177.62 2c4p h TYR 127 N 0.47 -0.84 0.27 2.19 3.20 -1.46 0.84 116.97 121.63 2c4p h TYR 127 Ca 0.03 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2c4p h TYR 127 Cb 0.98 0.32 -0.04 0.00 1.54 0.00 0.00 36.73 39.53 2c4p h TYR 127 CO 0.08 -0.42 -0.48 -0.22 -1.64 0.00 0.00 178.16 175.47 2c4p h LYS 128 N -0.65 -0.79 -0.73 1.82 3.11 -1.54 -2.16 116.57 115.62 2c4p h LYS 128 Ca -0.05 0.05 -0.05 0.00 -2.81 0.00 0.00 60.65 57.80 2c4p h LYS 128 Cb 0.55 0.18 -0.03 0.00 -1.00 0.00 0.00 32.23 31.93 2c4p h LYS 128 CO -0.01 -0.53 0.28 0.66 -2.81 0.00 0.00 179.45 177.04 2c4p h SER 129 N -0.82 1.01 -1.03 4.20 4.64 -1.20 -3.42 113.55 116.93 2c4p h SER 129 Ca -0.02 -0.16 0.01 0.00 -0.47 0.00 0.00 61.79 61.15 2c4p h SER 129 Cb 0.78 -0.26 -0.21 0.00 -0.31 0.00 0.00 62.40 62.40 2c4p h SER 129 CO -0.18 0.91 -0.40 -0.62 -0.87 0.00 0.00 176.83 175.67 2c4p s ASP 130 N -6.42 -1.54 0.31 4.97 -1.08 0.29 -5.01 116.67 108.20 2c4p s ASP 130 Ca -0.12 -0.00 0.16 0.00 -0.52 0.00 0.00 52.55 52.07 2c4p s ASP 130 Cb 0.16 1.99 0.36 0.00 -1.46 0.00 0.00 42.92 43.97 2c4p s ASP 130 CO 0.83 -0.28 1.58 0.11 0.52 0.00 0.00 175.17 177.93 2c4p h LYS 131 N 7.83 0.00 -0.97 4.34 1.57 -1.37 -3.04 116.57 124.93 2c4p h LYS 131 Ca -0.00 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 58.95 2c4p h LYS 131 Cb 1.19 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.41 2c4p h LYS 131 CO 0.15 0.49 0.61 1.49 -0.57 0.00 0.00 179.45 181.62 2c4p h GLU 132 N 0.00 0.70 0.16 3.15 4.81 -1.88 0.16 114.58 121.69 2c4p h GLU 132 Ca -0.00 -0.04 -0.31 0.00 -0.13 0.00 0.00 59.36 58.87 2c4p h GLU 132 Cb 1.16 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 30.39 2c4p h GLU 132 CO 0.06 0.46 -1.49 0.87 -0.73 0.00 0.00 179.01 178.19 2c4p h LYS 133 N 0.72 0.35 -0.40 1.92 1.57 -1.89 -3.35 116.57 115.49 2c4p h LYS 133 Ca 0.52 -0.59 0.04 0.00 -1.87 0.00 0.00 60.65 58.75 2c4p h LYS 133 Cb 0.86 0.22 -0.04 0.00 0.08 0.00 0.00 32.23 33.35 2c4p h LYS 133 CO -0.29 1.25 0.16 -0.92 -0.57 0.00 0.00 179.45 179.08 2c4p h TYR 134 N 0.09 0.30 0.00 -1.35 3.20 -0.97 -2.25 116.97 115.99 2c4p h TYR 134 Ca -0.24 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.65 2c4p h TYR 134 Cb 2.06 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 40.25 2c4p h TYR 134 CO 0.08 0.13 0.00 0.09 -1.64 0.00 0.00 178.16 176.83 2c4p n ASN 135 N -4.98 0.06 -0.05 -2.11 5.03 0.41 -2.74 115.26 110.87 2c4p n ASN 135 Ca 0.02 -0.98 -0.10 0.00 0.87 0.00 0.00 54.58 54.38 2c4p n ASN 135 Cb 0.13 -0.03 -0.04 0.00 -1.02 0.00 0.00 39.78 38.83 2c4p n ASN 135 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2c4p n ARG 136 N -0.41 0.21 -0.17 3.52 1.74 -0.86 -4.27 116.66 116.42 2c4p n ARG 136 Ca 0.00 0.09 -0.04 0.00 -0.77 0.00 0.00 57.85 57.13 2c4p n ARG 136 Cb 0.01 -0.85 0.02 0.00 -1.02 0.00 0.00 32.46 30.63 2c4p n ARG 136 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2c4p h HIS 137 N -0.35 -0.67 -0.97 -1.55 3.86 -1.40 0.36 115.15 114.43 2c4p h HIS 137 Ca -0.25 0.06 0.17 0.00 -1.16 0.00 0.00 60.37 59.19 2c4p h HIS 137 Cb 1.22 0.37 -0.10 0.00 1.06 0.00 0.00 27.41 29.96 2c4p h HIS 137 CO -0.03 -0.33 0.57 0.00 0.86 0.00 0.00 177.93 179.00 2c4p h ALA 138 N 1.15 1.54 -0.27 2.45 0.00 -1.78 0.22 119.26 122.57 2c4p h ALA 138 Ca 0.23 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 2c4p h ALA 138 Cb 0.50 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2c4p h ALA 138 CO -0.60 -0.01 -0.11 0.00 0.00 0.00 0.00 179.25 178.53 2c4p h ARG 139 N 0.77 0.55 -0.86 0.00 3.08 -0.53 0.21 114.38 117.60 2c4p h ARG 139 Ca 0.54 -0.23 0.04 0.00 0.07 0.00 0.00 59.98 60.39 2c4p h ARG 139 Cb 0.76 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.74 2c4p h ARG 139 CO -0.36 0.79 0.57 0.93 -1.07 0.00 0.00 179.97 180.83 2c4p h GLU 140 N 0.29 1.04 0.03 0.04 5.08 0.11 -1.64 114.58 119.53 2c4p h GLU 140 Ca 0.06 -0.06 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 2c4p h GLU 140 Cb 0.61 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2c4p h GLU 140 CO 0.04 0.69 -0.97 -1.49 -1.00 0.00 0.00 179.01 176.27 2c4p h TRP 141 N 1.07 0.29 -0.50 4.33 4.06 -0.48 -2.88 115.95 121.84 2c4p h TRP 141 Ca 0.35 -0.18 -0.01 0.00 2.06 0.00 0.00 58.89 61.10 2c4p h TRP 141 Cb 0.04 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 28.15 2c4p h TRP 141 CO -0.00 1.05 0.27 1.15 -3.56 0.00 0.00 178.44 177.34 2c4p h THR 142 N 0.09 1.18 -0.01 1.49 2.02 0.31 0.33 112.91 118.32 2c4p h THR 142 Ca -0.06 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 66.65 2c4p h THR 142 Cb 1.65 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 2c4p h THR 142 CO 0.15 0.19 -0.19 0.00 0.37 0.00 0.00 175.52 176.05 2c4p n GLN 143 N -4.64 0.80 -0.00 6.66 10.64 -0.76 -0.54 117.38 129.53 2c4p n GLN 143 Ca 0.02 -0.39 0.06 0.00 -1.83 0.00 0.00 57.00 54.86 2c4p n GLN 143 Cb 0.09 -1.49 -0.09 0.00 -0.86 0.00 0.00 30.24 27.89 2c4p n GLN 143 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 2c4p n LYS 144 N -0.76 1.81 0.00 2.61 4.81 -1.03 -4.44 118.16 121.17 2c4p n LYS 144 Ca 0.13 -0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 2c4p n LYS 144 Cb 0.32 -1.20 0.00 0.00 0.02 0.00 0.00 35.03 34.17 2c4p n LYS 144 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2c4p n TYR 145 N -1.56 0.00 -0.70 5.64 4.01 0.11 -4.87 117.16 119.79 2c4p n TYR 145 Ca 0.01 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.77 2c4p n TYR 145 Cb 0.26 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.32 2c4p n TYR 145 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2c4p n ALA 146 N -0.40 1.79 1.45 -0.72 0.00 0.30 -4.54 120.51 118.39 2c4p n ALA 146 Ca 0.00 -1.19 0.14 0.00 0.00 0.00 0.00 53.44 52.39 2c4p n ALA 146 Cb 0.00 -0.13 0.48 0.00 0.00 0.00 0.00 19.45 19.80 2c4p n ALA 146 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17