#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kpw n GLY 2 N 0.00 -2.22 3.19 -5.12 0.00 -1.26 -5.02 105.19 94.76 2kpw n GLY 2 Ca 0.00 -1.51 -0.11 0.00 0.00 0.00 0.00 46.02 44.40 2kpw n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kpw s HIS 3 N -0.87 0.98 -0.25 1.61 4.02 -1.26 -5.14 115.29 114.37 2kpw s HIS 3 Ca 0.00 -0.94 -0.03 0.00 1.02 0.00 0.00 55.06 55.11 2kpw s HIS 3 Cb 0.00 -0.56 0.11 0.00 -1.02 0.00 0.00 32.58 31.11 2kpw s HIS 3 CO 0.00 -0.17 0.22 -1.01 1.02 0.00 0.00 174.74 174.80 2kpw s HIS 4 N -3.64 -0.19 -0.08 1.40 0.09 -1.26 -5.12 115.29 106.50 2kpw s HIS 4 Ca 0.15 -0.21 -0.04 0.00 -0.00 0.00 0.00 55.06 54.96 2kpw s HIS 4 Cb 0.05 -0.54 0.04 0.00 -0.00 0.00 0.00 32.58 32.13 2kpw s HIS 4 CO -0.02 -0.77 0.18 -1.01 -0.00 0.00 0.00 174.74 173.11 2kpw s HIS 5 N 2.28 -0.21 -0.30 1.40 4.02 -1.26 -5.14 115.29 116.07 2kpw s HIS 5 Ca 0.08 0.57 -0.18 0.00 1.02 0.00 0.00 55.06 56.55 2kpw s HIS 5 Cb -0.15 -0.04 -0.02 0.00 -1.02 0.00 0.00 32.58 31.35 2kpw s HIS 5 CO -0.26 -0.18 0.53 -1.58 1.02 0.00 0.00 174.74 174.27 2kpw s HIS 6 N 1.16 3.22 -0.15 1.40 2.46 -1.26 -5.04 115.29 117.08 2kpw s HIS 6 Ca -0.09 0.45 -0.05 0.00 0.47 0.00 0.00 55.06 55.84 2kpw s HIS 6 Cb -0.11 -2.83 0.07 0.00 -0.13 0.00 0.00 32.58 29.58 2kpw s HIS 6 CO -0.06 -0.41 0.31 -3.38 -2.47 0.00 0.00 174.74 168.73 2kpw s HIS 7 N 2.38 -0.53 -0.17 3.88 0.00 -1.26 -5.14 115.29 114.45 2kpw s HIS 7 Ca 0.21 1.13 0.00 0.00 -3.00 0.00 0.00 55.06 53.40 2kpw s HIS 7 Cb -0.15 0.07 0.03 0.00 -4.00 0.00 0.00 32.58 28.53 2kpw s HIS 7 CO 0.11 -0.39 -0.11 -1.58 -1.00 0.00 0.00 174.74 171.78 2kpw s HIS 8 N 2.42 2.17 0.27 0.38 2.46 -1.26 -5.13 115.29 116.59 2kpw s HIS 8 Ca -0.00 -1.33 0.03 0.00 0.47 0.00 0.00 55.06 54.23 2kpw s HIS 8 Cb -0.12 -1.55 -0.06 0.00 -0.13 0.00 0.00 32.58 30.72 2kpw s HIS 8 CO -0.10 -0.68 0.04 -1.12 -2.47 0.00 0.00 174.74 170.40 2kpw s SER 9 N 1.48 1.92 0.01 9.88 0.01 -1.26 -5.04 113.70 120.69 2kpw s SER 9 Ca 0.02 -1.31 0.24 0.00 1.31 0.00 0.00 55.95 56.21 2kpw s SER 9 Cb -0.15 0.00 0.26 0.00 0.21 0.00 0.00 66.02 66.35 2kpw s SER 9 CO -0.09 -0.58 1.24 1.41 0.41 0.00 0.00 173.24 175.63 2kpw n HIS 10 N -0.53 0.03 -2.46 2.43 -0.00 -1.26 -4.88 115.22 108.55 2kpw n HIS 10 Ca -0.03 0.01 -0.43 0.00 -0.00 0.00 0.00 57.72 57.27 2kpw n HIS 10 Cb 0.65 -0.20 -0.02 0.00 -0.00 0.00 0.00 29.99 30.42 2kpw n HIS 10 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2kpw s MET 11 N -3.02 4.12 -0.07 -0.41 1.00 -1.26 -4.95 119.30 114.71 2kpw s MET 11 Ca 0.10 1.45 -0.03 0.00 0.00 0.00 0.00 55.69 57.21 2kpw s MET 11 Cb 0.17 -3.79 -0.01 0.00 0.00 0.00 0.00 34.83 31.20 2kpw s MET 11 CO 0.76 -0.85 -0.05 1.79 0.00 0.00 0.00 175.02 176.66 2kpw h THR 12 N 5.66 0.00 -0.43 2.05 1.35 -2.03 -3.50 112.91 116.02 2kpw h THR 12 Ca -0.25 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 2kpw h THR 12 Cb 1.09 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.51 2kpw h THR 12 CO 1.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.88 2kpw n GLY 13 N 1.77 -0.01 3.57 5.82 0.00 -1.26 -4.96 105.19 110.12 2kpw n GLY 13 Ca -0.02 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.69 2kpw n GLY 13 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kpw s ASN 14 N 0.00 6.17 -0.21 1.61 2.47 -1.26 -4.96 114.94 118.75 2kpw s ASN 14 Ca 0.00 0.08 -0.07 0.00 0.42 0.00 0.00 52.86 53.28 2kpw s ASN 14 Cb 0.00 -2.55 -0.04 0.00 -1.45 0.00 0.00 41.25 37.21 2kpw s ASN 14 CO 0.00 -1.72 0.07 -0.69 -3.72 0.00 0.00 177.10 171.04 2kpw s VAL 15 N 5.87 4.59 0.10 -5.21 1.01 -1.26 -1.80 120.40 123.70 2kpw s VAL 15 Ca 0.47 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.37 2kpw s VAL 15 Cb -0.09 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 2kpw s VAL 15 CO 0.23 0.40 -0.07 0.00 0.00 0.00 0.00 175.10 175.66 2kpw s ILE 17 N -3.57 5.00 -0.18 0.00 1.09 -1.26 0.49 121.20 122.77 2kpw s ILE 17 Ca 0.12 1.40 0.09 0.00 -1.10 0.00 0.00 60.65 61.16 2kpw s ILE 17 Cb 0.05 -4.02 -0.17 0.00 -1.06 0.00 0.00 42.46 37.26 2kpw s ILE 17 CO -0.04 0.30 -0.05 1.21 -0.10 0.00 0.00 174.94 176.26 2kpw n GLU 18 N 3.48 1.02 -3.82 2.79 2.13 -0.81 -4.90 120.64 120.53 2kpw n GLU 18 Ca -0.03 0.05 -0.12 0.00 0.66 0.00 0.00 57.16 57.72 2kpw n GLU 18 Cb 0.51 -1.41 -0.11 0.00 0.27 0.00 0.00 31.44 30.71 2kpw n GLU 18 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2kpw s GLU 19 N -2.39 0.39 -0.05 5.31 2.12 -1.22 -5.07 118.70 117.77 2kpw s GLU 19 Ca -0.16 -0.04 0.02 0.00 0.36 0.00 0.00 54.97 55.15 2kpw s GLU 19 Cb 0.06 0.17 0.02 0.00 0.26 0.00 0.00 34.13 34.63 2kpw s GLU 19 CO 0.57 -0.08 -0.09 0.42 -0.54 0.00 0.00 175.26 175.55 2kpw s ILE 20 N -0.64 0.86 0.42 -3.70 1.01 -1.26 -0.98 121.20 116.91 2kpw s ILE 20 Ca -0.07 -0.32 -0.23 0.00 0.00 0.00 0.00 60.65 60.03 2kpw s ILE 20 Cb -0.04 -0.81 -0.09 0.00 0.01 0.00 0.00 42.46 41.53 2kpw s ILE 20 CO 0.01 0.29 1.04 -0.62 0.00 0.00 0.00 174.94 175.67 2kpw s ASP 21 N 0.73 6.65 -0.09 3.58 2.15 -0.98 -4.76 116.67 123.96 2kpw s ASP 21 Ca -0.13 1.99 0.15 0.00 0.43 0.00 0.00 52.55 54.99 2kpw s ASP 21 Cb -0.15 -2.58 -0.22 0.00 -0.30 0.00 0.00 42.92 39.68 2kpw s ASP 21 CO 0.02 -0.57 0.20 0.55 -0.17 0.00 0.00 175.17 175.21 2kpw n VAL 22 N -0.34 0.52 0.28 1.11 3.14 -1.26 -4.65 118.33 117.14 2kpw n VAL 22 Ca 0.06 -0.51 -0.15 0.00 -2.96 0.00 0.00 64.34 60.78 2kpw n VAL 22 Cb 0.51 -0.24 -0.08 0.00 -1.06 0.00 0.00 33.84 32.96 2kpw n VAL 22 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 2kpw h ASP 23 N 0.00 -0.61 0.00 6.55 3.58 -1.96 -3.32 116.42 120.66 2kpw h ASP 23 Ca -0.21 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.20 2kpw h ASP 23 Cb 1.34 0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.55 2kpw h ASP 23 CO 0.01 -0.30 0.00 0.61 -2.88 0.00 0.00 179.24 176.68 2kpw n GLY 24 N -0.82 0.00 0.71 -0.78 0.00 -1.26 -2.84 105.19 100.20 2kpw n GLY 24 Ca -0.12 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.88 2kpw n GLY 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kpw n LYS 25 N 0.00 0.15 -3.92 1.61 5.02 -1.26 -4.59 118.16 115.17 2kpw n LYS 25 Ca 0.00 0.06 -0.09 0.00 -2.02 0.00 0.00 58.31 56.26 2kpw n LYS 25 Cb 0.00 -0.69 -0.05 0.00 -0.02 0.00 0.00 35.03 34.27 2kpw n LYS 25 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 2kpw s PHE 26 N -2.05 0.20 -0.07 2.13 -0.71 -1.26 -0.23 117.98 115.99 2kpw s PHE 26 Ca -0.08 -0.57 0.03 0.00 -1.04 0.00 0.00 56.93 55.27 2kpw s PHE 26 Cb 0.01 0.26 0.01 0.00 -1.21 0.00 0.00 43.02 42.08 2kpw s PHE 26 CO 0.12 -0.97 -0.16 0.42 -1.34 0.00 0.00 175.22 173.29 2kpw s ILE 27 N -3.97 1.42 -0.51 -4.49 1.01 -0.07 -2.31 121.20 112.29 2kpw s ILE 27 Ca 0.18 -0.66 -0.15 0.00 0.00 0.00 0.00 60.65 60.02 2kpw s ILE 27 Cb -0.01 -1.26 0.11 0.00 0.01 0.00 0.00 42.46 41.32 2kpw s ILE 27 CO 0.05 0.42 0.45 -0.60 0.00 0.00 0.00 174.94 175.25 2kpw s ARG 28 N 0.46 2.93 0.38 2.79 3.52 -0.15 -1.00 118.95 127.88 2kpw s ARG 28 Ca -0.13 -1.59 -0.07 0.00 -0.13 0.00 0.00 55.73 53.80 2kpw s ARG 28 Cb -0.15 -4.20 -0.05 0.00 -1.56 0.00 0.00 34.95 28.98 2kpw s ARG 28 CO 0.05 -1.21 0.70 -0.51 -0.81 0.00 0.00 175.30 173.52 2kpw s LEU 29 N 1.59 3.86 -0.11 -0.88 1.02 -0.78 -1.92 118.68 121.47 2kpw s LEU 29 Ca 0.04 0.94 -0.05 0.00 0.02 0.00 0.00 54.13 55.08 2kpw s LEU 29 Cb -0.28 -3.82 0.05 0.00 0.02 0.00 0.00 46.19 42.16 2kpw s LEU 29 CO 0.04 -0.37 0.25 -0.75 0.02 0.00 0.00 176.35 175.54 2kpw s LYS 30 N -3.96 0.19 -0.46 1.70 2.20 0.18 -0.54 119.74 119.05 2kpw s LYS 30 Ca 0.48 0.58 -0.26 0.00 -0.36 0.00 0.00 55.97 56.41 2kpw s LYS 30 Cb -0.10 -0.11 0.03 0.00 -1.51 0.00 0.00 37.83 36.14 2kpw s LYS 30 CO 0.34 -0.19 0.95 1.21 -0.36 0.00 0.00 175.35 177.30 2kpw s ASN 31 N 1.53 6.53 0.00 1.43 2.47 -0.42 -1.04 114.94 125.44 2kpw s ASN 31 Ca -0.07 0.19 0.18 0.00 0.42 0.00 0.00 52.86 53.58 2kpw s ASN 31 Cb -0.11 -2.46 0.50 0.00 -1.45 0.00 0.00 41.25 37.73 2kpw s ASN 31 CO -0.09 -1.07 1.42 1.07 -3.72 0.00 0.00 177.10 174.71 2kpw n THR 32 N 6.45 0.74 -2.95 -5.21 5.66 -0.74 0.03 114.28 118.26 2kpw n THR 32 Ca 0.07 -0.75 -0.33 0.00 -3.05 0.00 0.00 64.05 59.99 2kpw n THR 32 Cb 0.49 0.39 -0.07 0.00 -1.55 0.00 0.00 70.33 69.59 2kpw n THR 32 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2kpw s SER 33 N -1.02 6.88 -0.21 1.09 0.15 -1.25 -4.83 113.70 114.51 2kpw s SER 33 Ca 0.38 1.52 -0.02 0.00 0.70 0.00 0.00 55.95 58.53 2kpw s SER 33 Cb 0.20 -2.47 0.06 0.00 -1.71 0.00 0.00 66.02 62.10 2kpw s SER 33 CO 0.26 -0.29 2.37 -0.62 1.20 0.00 0.00 173.24 176.16 2kpw n GLU 34 N -0.50 1.71 -3.55 5.44 1.02 -1.26 -4.05 120.64 119.45 2kpw n GLU 34 Ca 0.05 -1.19 -0.09 0.00 -0.02 0.00 0.00 57.16 55.92 2kpw n GLU 34 Cb 0.54 -1.59 -0.04 0.00 -0.02 0.00 0.00 31.44 30.33 2kpw n GLU 34 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 2kpw s GLN 35 N -0.90 0.64 -0.48 3.49 0.74 -1.26 -4.94 119.66 116.94 2kpw s GLN 35 Ca 0.32 -0.02 -0.27 0.00 0.05 0.00 0.00 55.36 55.44 2kpw s GLN 35 Cb 0.21 0.30 -0.02 0.00 1.10 0.00 0.00 33.01 34.59 2kpw s GLN 35 CO -0.04 -0.24 1.89 -0.51 -0.55 0.00 0.00 175.29 175.84 2kpw s ASP 36 N -1.65 5.44 -0.28 6.67 1.01 -1.25 -4.26 116.67 122.35 2kpw s ASP 36 Ca 0.02 0.82 -0.16 0.00 0.71 0.00 0.00 52.55 53.93 2kpw s ASP 36 Cb -0.01 -2.53 -0.03 0.00 1.01 0.00 0.00 42.92 41.37 2kpw s ASP 36 CO -0.02 -2.15 0.42 -1.10 0.21 0.00 0.00 175.17 172.52 2kpw s GLN 37 N 6.59 3.93 -0.14 8.23 -1.52 -0.33 -4.74 119.66 131.69 2kpw s GLN 37 Ca 0.75 0.03 -0.29 0.00 -1.95 0.00 0.00 55.36 53.90 2kpw s GLN 37 Cb -0.17 -3.69 -0.04 0.00 -0.22 0.00 0.00 33.01 28.89 2kpw s GLN 37 CO 0.27 -0.36 1.63 -2.14 -0.25 0.00 0.00 175.29 174.44 2kpw s PRO 38 N 2.15 3.99 -1.24 2.91 0.02 -1.26 -0.83 135.00 140.73 2kpw s PRO 38 Ca 0.16 1.93 -0.19 0.00 0.02 0.00 0.00 61.00 62.93 2kpw s PRO 38 Cb -0.16 -4.01 -0.00 0.00 0.02 0.00 0.00 34.50 30.36 2kpw s PRO 38 CO 0.10 -1.07 1.89 -0.12 -0.33 0.00 0.00 177.00 177.48 2kpw n MET 39 N 7.38 2.55 0.00 5.54 1.56 -1.13 -4.55 117.12 128.47 2kpw n MET 39 Ca 0.18 -2.81 -0.00 0.00 -0.27 0.00 0.00 57.70 54.80 2kpw n MET 39 Cb 0.44 -3.47 -0.00 0.00 2.15 0.00 0.00 33.22 32.34 2kpw n MET 39 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2kpw n GLY 40 N 5.19 0.08 1.99 -5.12 0.00 -1.26 -2.56 105.19 103.53 2kpw n GLY 40 Ca 0.48 -0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.41 2kpw n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kpw n GLY 41 N 3.47 2.68 3.10 -0.02 0.00 -1.26 -4.32 105.19 108.83 2kpw n GLY 41 Ca -0.00 -0.91 -0.22 0.00 0.00 0.00 0.00 46.02 44.89 2kpw n GLY 41 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2kpw s TRP 42 N 1.11 1.22 -0.05 1.61 0.52 -1.26 -1.15 118.94 120.94 2kpw s TRP 42 Ca 0.50 -0.23 -0.00 0.00 0.02 0.00 0.00 56.10 56.39 2kpw s TRP 42 Cb 0.24 -0.78 0.03 0.00 -1.15 0.00 0.00 33.47 31.80 2kpw s TRP 42 CO 0.00 -0.02 -0.01 -2.00 0.02 0.00 0.00 176.95 174.94 2kpw s GLU 43 N -0.33 0.54 -0.15 4.98 2.12 -0.16 -1.21 118.70 124.48 2kpw s GLU 43 Ca 0.05 0.06 -0.07 0.00 0.36 0.00 0.00 54.97 55.37 2kpw s GLU 43 Cb -0.05 -0.77 -0.04 0.00 0.26 0.00 0.00 34.13 33.53 2kpw s GLU 43 CO -0.00 -0.20 0.08 1.41 -0.54 0.00 0.00 175.26 176.01 2kpw s MET 44 N 1.43 3.73 -0.16 4.30 -2.45 -0.08 -1.04 119.30 125.02 2kpw s MET 44 Ca -0.04 -0.29 -0.00 0.00 -1.25 0.00 0.00 55.69 54.12 2kpw s MET 44 Cb -0.13 -3.17 0.04 0.00 1.25 0.00 0.00 34.83 32.81 2kpw s MET 44 CO -0.03 0.46 -0.08 0.42 1.05 0.00 0.00 175.02 176.84 2kpw s ILE 45 N -0.16 1.31 -0.25 10.11 1.01 0.01 -0.27 121.20 132.96 2kpw s ILE 45 Ca 0.08 -0.66 -0.10 0.00 0.00 0.00 0.00 60.65 59.97 2kpw s ILE 45 Cb -0.12 -1.38 -0.05 0.00 0.01 0.00 0.00 42.46 40.92 2kpw s ILE 45 CO 0.01 0.24 0.16 -0.60 0.00 0.00 0.00 174.94 174.75 2kpw s ARG 46 N 1.56 3.97 -0.11 2.79 3.52 0.57 -0.14 118.95 131.11 2kpw s ARG 46 Ca 0.02 -0.32 -0.10 0.00 -0.13 0.00 0.00 55.73 55.20 2kpw s ARG 46 Cb -0.15 -3.55 -0.05 0.00 -1.56 0.00 0.00 34.95 29.65 2kpw s ARG 46 CO -0.08 -0.05 0.21 0.15 -0.81 0.00 0.00 175.30 174.71 2kpw s LYS 47 N 1.36 3.74 -0.41 5.12 1.02 0.11 -1.21 119.74 129.47 2kpw s LYS 47 Ca 0.07 -0.01 0.01 0.00 0.02 0.00 0.00 55.97 56.07 2kpw s LYS 47 Cb -0.15 -3.26 0.13 0.00 -0.52 0.00 0.00 37.83 34.04 2kpw s LYS 47 CO 0.07 0.63 0.21 -1.50 -0.92 0.00 0.00 175.35 173.84 2kpw s ILE 48 N -0.66 1.21 0.00 2.17 2.07 -0.08 -1.61 121.20 124.30 2kpw s ILE 48 Ca 0.16 -2.28 0.00 0.00 -1.41 0.00 0.00 60.65 57.12 2kpw s ILE 48 Cb -0.13 -1.86 0.00 0.00 0.13 0.00 0.00 42.46 40.60 2kpw s ILE 48 CO 0.05 -0.86 0.00 0.61 -1.91 0.00 0.00 174.94 172.83 2kpw n GLY 49 N 3.82 0.23 0.03 1.50 0.00 -1.26 -2.66 105.19 106.85 2kpw n GLY 49 Ca 0.07 0.62 -0.01 0.00 0.00 0.00 0.00 46.02 46.70 2kpw n GLY 49 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2kpw h ASP 50 N 0.00 0.00 -1.58 1.61 1.82 -2.03 -3.49 116.42 112.75 2kpw h ASP 50 Ca 0.00 0.00 -0.48 0.00 -0.39 0.00 0.00 57.03 56.16 2kpw h ASP 50 Cb 0.00 0.00 0.06 0.00 0.68 0.00 0.00 39.33 40.07 2kpw h ASP 50 CO 0.00 0.32 0.03 0.28 -1.61 0.00 0.00 179.24 178.26 2kpw s THR 51 N -1.45 2.11 0.02 2.25 -1.32 -1.09 -5.14 115.64 111.02 2kpw s THR 51 Ca -0.04 -0.75 -0.13 0.00 -1.21 0.00 0.00 61.69 59.56 2kpw s THR 51 Cb 0.01 -2.36 0.02 0.00 -1.51 0.00 0.00 72.50 68.66 2kpw s THR 51 CO 0.05 0.00 0.29 -0.94 -2.21 0.00 0.00 174.62 171.81 2kpw s SER 52 N -4.73 -0.13 -0.02 8.08 1.04 -1.26 -0.90 113.70 115.79 2kpw s SER 52 Ca 0.65 -0.11 0.04 0.00 0.48 0.00 0.00 55.95 57.01 2kpw s SER 52 Cb -0.05 0.33 -0.01 0.00 0.10 0.00 0.00 66.02 66.39 2kpw s SER 52 CO 0.43 -0.54 -0.13 0.54 0.98 0.00 0.00 173.24 174.52 2kpw s VAL 53 N -2.06 1.06 0.30 5.02 0.11 -0.35 -4.98 120.40 119.50 2kpw s VAL 53 Ca -0.08 -0.55 0.11 0.00 -2.93 0.00 0.00 61.98 58.53 2kpw s VAL 53 Cb -0.03 -0.91 -0.06 0.00 -1.53 0.00 0.00 36.38 33.86 2kpw s VAL 53 CO -0.00 0.31 -0.15 -0.94 -3.33 0.00 0.00 175.10 170.98 2kpw s SER 54 N -0.10 3.57 -0.30 3.54 1.04 -1.26 -0.32 113.70 119.87 2kpw s SER 54 Ca 0.01 -1.10 -0.10 0.00 0.48 0.00 0.00 55.95 55.24 2kpw s SER 54 Cb -0.07 -0.31 0.15 0.00 0.10 0.00 0.00 66.02 65.89 2kpw s SER 54 CO 0.00 -0.07 0.76 -0.47 0.98 0.00 0.00 173.24 174.44 2kpw s TYR 55 N -2.58 -1.15 0.31 5.02 5.04 0.62 -4.98 117.35 119.62 2kpw s TYR 55 Ca 0.31 1.82 -0.11 0.00 -2.44 0.00 0.00 57.07 56.64 2kpw s TYR 55 Cb -0.02 0.63 -0.08 0.00 0.35 0.00 0.00 41.96 42.84 2kpw s TYR 55 CO 0.15 -0.59 0.67 0.21 -1.34 0.00 0.00 175.55 174.65 2kpw s LYS 56 N 2.77 3.86 0.42 4.97 2.20 -1.26 -0.90 119.74 131.80 2kpw s LYS 56 Ca -0.01 0.44 0.06 0.00 -0.36 0.00 0.00 55.97 56.10 2kpw s LYS 56 Cb -0.11 -2.51 0.01 0.00 -1.51 0.00 0.00 37.83 33.71 2kpw s LYS 56 CO -0.18 0.18 0.59 0.71 -0.36 0.00 0.00 175.35 176.28 2kpw s TYR 57 N -2.02 2.93 -0.05 4.03 2.02 -0.35 -4.98 117.35 118.94 2kpw s TYR 57 Ca 0.50 -0.23 0.02 0.00 -0.37 0.00 0.00 57.07 57.00 2kpw s TYR 57 Cb -0.11 -2.35 0.01 0.00 -0.40 0.00 0.00 41.96 39.12 2kpw s TYR 57 CO 0.22 -0.40 -0.11 -0.08 -1.57 0.00 0.00 175.55 173.62 2kpw s THR 58 N -2.40 0.97 -1.03 -0.71 -1.32 -1.11 -4.65 115.64 105.39 2kpw s THR 58 Ca 0.52 -0.41 -0.23 0.00 -1.21 0.00 0.00 61.69 60.36 2kpw s THR 58 Cb -0.10 -0.88 -0.03 0.00 -1.51 0.00 0.00 72.50 69.98 2kpw s THR 58 CO 0.34 0.31 1.84 -0.55 -2.21 0.00 0.00 174.62 174.35 2kpw s SER 59 N 0.48 5.48 0.00 8.08 0.15 -1.06 -4.48 113.70 122.36 2kpw s SER 59 Ca -0.09 -1.21 0.00 0.00 0.70 0.00 0.00 55.95 55.35 2kpw s SER 59 Cb -0.13 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 2kpw s SER 59 CO 0.02 -2.50 0.52 -2.11 1.20 0.00 0.00 173.24 170.37 2kpw n ARG 60 N 8.67 0.62 -3.54 5.44 1.85 -1.26 -4.98 116.66 123.45 2kpw n ARG 60 Ca 0.41 -0.65 -0.14 0.00 -1.00 0.00 0.00 57.85 56.47 2kpw n ARG 60 Cb 0.47 -0.72 -0.05 0.00 -1.05 0.00 0.00 32.46 31.12 2kpw n ARG 60 CO 0.00 0.00 0.00 1.52 -0.01 0.00 0.00 177.63 179.14 2kpw s TYR 61 N -0.26 -0.47 -0.12 2.89 1.13 -1.26 -4.98 117.35 114.27 2kpw s TYR 61 Ca 0.00 0.52 0.00 0.00 -1.41 0.00 0.00 57.07 56.18 2kpw s TYR 61 Cb 0.00 0.39 -0.01 0.00 -1.10 0.00 0.00 41.96 41.23 2kpw s TYR 61 CO 0.00 -0.68 -0.14 0.14 -2.51 0.00 0.00 175.55 172.37 2kpw s VAL 62 N -2.54 2.98 -0.36 -3.49 -7.23 -1.26 -2.85 120.40 105.64 2kpw s VAL 62 Ca -0.05 -0.69 -0.26 0.00 -1.81 0.00 0.00 61.98 59.17 2kpw s VAL 62 Cb -0.01 -2.24 0.02 0.00 0.56 0.00 0.00 36.38 34.71 2kpw s VAL 62 CO -0.02 0.53 0.95 -0.76 -0.31 0.00 0.00 175.10 175.48 2kpw s LEU 63 N 0.31 3.98 1.05 1.32 2.01 -0.01 -4.77 118.68 122.56 2kpw s LEU 63 Ca -0.11 0.65 -0.12 0.00 0.01 0.00 0.00 54.13 54.55 2kpw s LEU 63 Cb -0.16 -3.30 0.22 0.00 0.01 0.00 0.00 46.19 42.95 2kpw s LEU 63 CO 0.06 -0.86 1.07 -0.54 1.01 0.00 0.00 176.35 177.08 2kpw s LYS 64 N 3.51 0.04 -0.33 1.70 1.02 -1.26 -1.19 119.74 123.22 2kpw s LYS 64 Ca 0.39 0.70 -0.28 0.00 0.02 0.00 0.00 55.97 56.80 2kpw s LYS 64 Cb -0.12 -1.68 -0.04 0.00 -0.52 0.00 0.00 37.83 35.47 2kpw s LYS 64 CO 0.18 -3.04 2.10 0.00 -0.92 0.00 0.00 175.35 173.67 2kpw s ALA 65 N -2.77 2.51 0.00 5.17 0.00 -1.26 -1.27 121.76 124.15 2kpw s ALA 65 Ca 0.66 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.99 2kpw s ALA 65 Cb -0.21 -4.13 0.00 0.00 0.00 0.00 0.00 23.12 18.78 2kpw s ALA 65 CO 0.60 -3.15 0.00 0.41 0.00 0.00 0.00 175.76 173.62 2kpw n GLY 66 N 5.71 0.76 3.74 0.00 0.00 0.11 -5.03 105.19 110.47 2kpw n GLY 66 Ca 0.28 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.90 2kpw n GLY 66 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kpw s GLN 67 N -0.54 4.76 -0.11 1.61 2.00 -0.39 -4.77 119.66 122.22 2kpw s GLN 67 Ca 0.00 1.49 -0.04 0.00 -2.00 0.00 0.00 55.36 54.80 2kpw s GLN 67 Cb 0.00 -3.33 -0.04 0.00 0.80 0.00 0.00 33.01 30.45 2kpw s GLN 67 CO 0.00 0.34 0.07 0.95 -0.50 0.00 0.00 175.29 176.15 2kpw s THR 68 N -0.55 4.90 -0.19 -0.34 -4.23 -1.26 -1.29 115.64 112.67 2kpw s THR 68 Ca 0.44 -0.02 -0.03 0.00 -1.18 0.00 0.00 61.69 60.90 2kpw s THR 68 Cb -0.25 -3.10 -0.01 0.00 1.34 0.00 0.00 72.50 70.47 2kpw s THR 68 CO 0.31 0.61 -0.05 0.54 -0.54 0.00 0.00 174.62 175.49 2kpw s VAL 69 N -0.91 3.48 -0.55 2.29 0.11 0.30 -4.98 120.40 120.14 2kpw s VAL 69 Ca 0.14 -0.47 -0.19 0.00 -2.93 0.00 0.00 61.98 58.53 2kpw s VAL 69 Cb -0.12 -2.56 0.09 0.00 -1.53 0.00 0.00 36.38 32.26 2kpw s VAL 69 CO 0.03 0.45 0.65 -0.89 -3.33 0.00 0.00 175.10 172.01 2kpw s THR 70 N 1.07 4.88 -0.77 5.04 2.01 -1.26 -1.86 115.64 124.76 2kpw s THR 70 Ca 0.01 -0.85 -0.24 0.00 0.31 0.00 0.00 61.69 60.92 2kpw s THR 70 Cb -0.15 -4.40 0.06 0.00 0.01 0.00 0.00 72.50 68.03 2kpw s THR 70 CO -0.00 -0.97 1.16 -0.63 -0.69 0.00 0.00 174.62 173.49 2kpw s ILE 71 N 2.55 4.09 0.65 1.82 -1.09 -0.17 -4.48 121.20 124.57 2kpw s ILE 71 Ca 0.12 -0.27 -0.11 0.00 -2.23 0.00 0.00 60.65 58.16 2kpw s ILE 71 Cb -0.23 -4.83 -0.02 0.00 -1.58 0.00 0.00 42.46 35.80 2kpw s ILE 71 CO 0.08 -1.68 1.04 0.26 -1.23 0.00 0.00 174.94 173.42 2kpw s TRP 72 N 4.65 3.49 0.71 3.97 0.52 -1.26 -0.89 118.94 130.13 2kpw s TRP 72 Ca 0.31 1.29 -0.10 0.00 0.02 0.00 0.00 56.10 57.61 2kpw s TRP 72 Cb -0.10 -2.79 0.03 0.00 -1.15 0.00 0.00 33.47 29.46 2kpw s TRP 72 CO 0.07 -0.86 1.08 0.00 0.02 0.00 0.00 176.95 177.26 2kpw s ALA 73 N -3.17 2.93 0.56 0.98 0.00 0.68 0.66 121.76 124.40 2kpw s ALA 73 Ca 0.56 -0.49 0.27 0.00 0.00 0.00 0.00 51.96 52.30 2kpw s ALA 73 Cb -0.12 -2.92 1.50 0.00 0.00 0.00 0.00 23.12 21.58 2kpw s ALA 73 CO 0.54 -1.20 2.01 0.00 0.00 0.00 0.00 175.76 177.11 2kpw h ALA 74 N -0.66 2.18 -0.35 0.00 0.00 -0.33 -0.56 119.26 119.55 2kpw h ALA 74 Ca -0.45 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.32 2kpw h ALA 74 Cb 1.27 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 2kpw h ALA 74 CO 0.64 -0.53 0.15 0.09 0.00 0.00 0.00 179.25 179.60 2kpw n ASN 75 N -4.04 3.19 -0.18 0.00 4.13 -1.26 -4.49 115.26 112.61 2kpw n ASN 75 Ca 0.06 -2.56 0.13 0.00 1.68 0.00 0.00 54.58 53.89 2kpw n ASN 75 Cb 0.51 -0.62 0.45 0.00 -1.54 0.00 0.00 39.78 38.59 2kpw n ASN 75 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kpw h ALA 76 N 2.16 1.98 -0.41 5.41 0.00 -1.45 -3.46 119.26 123.48 2kpw h ALA 76 Ca 0.15 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.88 2kpw h ALA 76 Cb 1.50 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 19.12 2kpw h ALA 76 CO 0.36 -0.16 -0.16 0.41 0.00 0.00 0.00 179.25 179.69 2kpw n GLY 77 N -1.49 1.03 1.00 0.00 0.00 -1.26 -5.00 105.19 99.47 2kpw n GLY 77 Ca 0.14 -0.48 -0.08 0.00 0.00 0.00 0.00 46.02 45.60 2kpw n GLY 77 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2kpw n VAL 78 N -2.68 0.00 -1.63 1.61 0.24 -1.26 -5.06 118.33 109.56 2kpw n VAL 78 Ca -0.09 -0.70 -0.37 0.00 -2.04 0.00 0.00 64.34 61.14 2kpw n VAL 78 Cb 0.32 0.23 -0.03 0.00 -1.47 0.00 0.00 33.84 32.89 2kpw n VAL 78 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2kpw s THR 79 N -1.90 3.05 -0.35 3.34 2.01 -1.26 -4.85 115.64 115.69 2kpw s THR 79 Ca 0.05 0.04 -0.02 0.00 0.31 0.00 0.00 61.69 62.07 2kpw s THR 79 Cb 0.00 -3.13 0.18 0.00 0.01 0.00 0.00 72.50 69.56 2kpw s THR 79 CO 0.03 -0.12 2.22 0.00 -0.69 0.00 0.00 174.62 176.06 2kpw n ALA 80 N 15.00 5.47 -3.56 7.40 0.00 -1.26 -4.84 120.51 138.72 2kpw n ALA 80 Ca 0.34 -2.02 -0.13 0.00 0.00 0.00 0.00 53.44 51.63 2kpw n ALA 80 Cb 0.53 -1.57 -0.08 0.00 0.00 0.00 0.00 19.45 18.33 2kpw n ALA 80 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2kpw s SER 81 N 0.20 -0.68 1.01 0.00 0.01 -1.26 -4.53 113.70 108.44 2kpw s SER 81 Ca 0.39 1.30 -0.19 0.00 1.31 0.00 0.00 55.95 58.76 2kpw s SER 81 Cb 0.28 1.31 -0.09 0.00 0.21 0.00 0.00 66.02 67.73 2kpw s SER 81 CO -0.05 -0.22 -0.65 -2.65 0.41 0.00 0.00 173.24 170.07 2kpw n PRO 82 N 2.86 -0.28 0.00 12.44 -0.02 -1.23 -4.71 135.00 144.06 2kpw n PRO 82 Ca -0.14 -0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 2kpw n PRO 82 Cb 0.56 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.77 2kpw n PRO 82 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2kpw n PRO 83 N 1.04 0.00 0.00 0.52 -0.02 -1.26 -5.02 135.00 130.26 2kpw n PRO 83 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2kpw n PRO 83 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.09 2kpw n PRO 83 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2kpw n THR 84 N -0.25 0.00 -2.14 3.45 5.66 -1.26 -4.71 114.28 115.02 2kpw n THR 84 Ca 0.00 0.02 -0.42 0.00 -3.05 0.00 0.00 64.05 60.60 2kpw n THR 84 Cb 0.00 -0.87 -0.03 0.00 -1.55 0.00 0.00 70.33 67.88 2kpw n THR 84 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2kpw s ASP 85 N -0.60 6.79 -0.57 1.09 1.01 -1.26 -4.96 116.67 118.16 2kpw s ASP 85 Ca 0.00 2.34 -0.23 0.00 0.71 0.00 0.00 52.55 55.37 2kpw s ASP 85 Cb 0.00 -2.58 0.05 0.00 1.01 0.00 0.00 42.92 41.40 2kpw s ASP 85 CO 0.00 -0.69 0.91 -0.76 0.21 0.00 0.00 175.17 174.84 2kpw s LEU 86 N 1.35 4.28 -0.12 1.23 1.43 -1.26 -3.49 118.68 122.10 2kpw s LEU 86 Ca 0.66 -0.58 -0.30 0.00 -1.03 0.00 0.00 54.13 52.88 2kpw s LEU 86 Cb -0.37 -2.68 -0.02 0.00 0.03 0.00 0.00 46.19 43.15 2kpw s LEU 86 CO 0.30 -1.24 1.28 -0.63 0.23 0.00 0.00 176.35 176.29 2kpw s ILE 87 N 3.81 4.19 -0.98 -0.59 1.09 -1.26 -4.08 121.20 123.38 2kpw s ILE 87 Ca 0.26 1.48 -0.25 0.00 -1.10 0.00 0.00 60.65 61.04 2kpw s ILE 87 Cb -0.14 -3.95 -0.19 0.00 -1.06 0.00 0.00 42.46 37.12 2kpw s ILE 87 CO 0.16 -0.09 1.97 1.87 -0.10 0.00 0.00 174.94 178.75 2kpw n TRP 88 N 6.16 1.63 0.93 3.97 -0.00 0.21 -4.72 117.44 125.62 2kpw n TRP 88 Ca 0.13 -0.88 -0.00 0.00 -0.00 0.00 0.00 57.50 56.75 2kpw n TRP 88 Cb 0.45 -2.33 0.01 0.00 -0.00 0.00 0.00 31.31 29.44 2kpw n TRP 88 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 2kpw n LYS 89 N 8.07 1.12 -0.01 5.87 5.02 -1.26 -2.00 118.16 134.97 2kpw n LYS 89 Ca 0.44 -0.12 0.02 0.00 -2.02 0.00 0.00 58.31 56.63 2kpw n LYS 89 Cb 0.46 -1.41 0.02 0.00 -0.02 0.00 0.00 35.03 34.08 2kpw n LYS 89 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2kpw n ASN 90 N 0.12 2.00 -3.71 4.39 4.13 -1.26 -4.92 115.26 116.01 2kpw n ASN 90 Ca 0.01 -2.14 -0.11 0.00 1.68 0.00 0.00 54.58 54.02 2kpw n ASN 90 Cb 0.35 -0.07 -0.11 0.00 -1.54 0.00 0.00 39.78 38.41 2kpw n ASN 90 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 2kpw s GLN 91 N -1.26 0.37 0.97 3.52 0.74 -1.09 -5.04 119.66 117.87 2kpw s GLN 91 Ca 0.05 0.69 -0.16 0.00 0.05 0.00 0.00 55.36 55.99 2kpw s GLN 91 Cb 0.04 0.01 0.21 0.00 1.10 0.00 0.00 33.01 34.37 2kpw s GLN 91 CO 0.00 -0.14 1.33 -0.80 -0.55 0.00 0.00 175.29 175.14 2kpw s ASN 92 N 1.14 3.01 -0.15 6.67 0.01 -1.26 -0.81 114.94 123.55 2kpw s ASN 92 Ca -0.08 0.20 -0.29 0.00 -0.71 0.00 0.00 52.86 51.98 2kpw s ASN 92 Cb -0.08 -0.21 -0.04 0.00 0.41 0.00 0.00 41.25 41.33 2kpw s ASN 92 CO -0.09 -2.80 1.73 -0.55 -1.51 0.00 0.00 177.10 173.88 2kpw s SER 93 N -4.92 6.36 0.13 -1.22 0.15 -1.26 -4.71 113.70 108.22 2kpw s SER 93 Ca 0.75 1.93 -0.18 0.00 0.70 0.00 0.00 55.95 59.14 2kpw s SER 93 Cb -0.03 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 2kpw s SER 93 CO 0.53 -1.23 1.76 4.11 1.20 0.00 0.00 173.24 179.62 2kpw h TRP 94 N 10.89 0.36 -0.19 3.44 0.09 -1.84 -3.46 115.95 125.24 2kpw h TRP 94 Ca -0.38 0.00 -0.07 0.00 0.09 0.00 0.00 58.89 58.54 2kpw h TRP 94 Cb 1.18 -0.12 -0.03 0.00 0.08 0.00 0.00 29.16 30.27 2kpw h TRP 94 CO 0.91 0.26 -0.06 0.41 0.09 0.00 0.00 178.44 180.05 2kpw n GLY 95 N -1.08 0.32 0.16 11.11 0.00 -1.13 -4.82 105.19 109.75 2kpw n GLY 95 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 2kpw n GLY 95 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2kpw h THR 96 N 0.00 1.38 -0.23 2.61 1.35 -1.80 -3.47 112.91 112.75 2kpw h THR 96 Ca -0.07 -1.86 -0.10 0.00 -0.55 0.00 0.00 66.41 63.83 2kpw h THR 96 Cb 0.97 1.96 -0.04 0.00 -1.73 0.00 0.00 68.15 69.31 2kpw h THR 96 CO 0.10 0.54 -0.09 0.61 -0.25 0.00 0.00 175.52 176.43 2kpw n GLY 97 N 0.09 0.66 4.02 5.82 0.00 -1.25 -5.00 105.19 109.53 2kpw n GLY 97 Ca -0.02 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 2kpw n GLY 97 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kpw s GLU 98 N -1.87 1.96 0.15 1.61 0.41 -1.26 -5.03 118.70 114.67 2kpw s GLU 98 Ca 0.00 -1.47 -0.15 0.00 -0.41 0.00 0.00 54.97 52.93 2kpw s GLU 98 Cb 0.00 -2.50 0.02 0.00 -1.78 0.00 0.00 34.13 29.87 2kpw s GLU 98 CO 0.00 -1.19 1.78 0.38 -0.49 0.00 0.00 175.26 175.75 2kpw h ASP 99 N -0.18 0.54 -3.96 -0.19 2.03 -1.95 -3.44 116.42 109.27 2kpw h ASP 99 Ca -0.32 -0.06 -0.03 0.00 -0.73 0.00 0.00 57.03 55.89 2kpw h ASP 99 Cb 1.28 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 39.64 2kpw h ASP 99 CO 0.39 0.44 -0.55 0.55 -1.03 0.00 0.00 179.24 179.04 2kpw n VAL 100 N -4.73 -1.21 -3.13 4.15 3.14 -1.26 -1.44 118.33 113.85 2kpw n VAL 100 Ca 0.01 0.24 -0.39 0.00 -2.96 0.00 0.00 64.34 61.24 2kpw n VAL 100 Cb 0.06 -1.65 -0.06 0.00 -1.06 0.00 0.00 33.84 31.13 2kpw n VAL 100 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 2kpw s LYS 101 N -0.65 4.38 -0.06 1.45 2.20 -0.64 -4.39 119.74 122.03 2kpw s LYS 101 Ca 0.03 0.92 -0.03 0.00 -0.36 0.00 0.00 55.97 56.53 2kpw s LYS 101 Cb -0.00 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 33.00 2kpw s LYS 101 CO 0.07 0.53 0.08 0.54 -0.36 0.00 0.00 175.35 176.21 2kpw s VAL 102 N -0.85 4.87 -0.03 4.02 0.11 -0.04 0.05 120.40 128.53 2kpw s VAL 102 Ca 0.33 -0.19 0.07 0.00 -2.93 0.00 0.00 61.98 59.25 2kpw s VAL 102 Cb -0.21 -3.16 -0.01 0.00 -1.53 0.00 0.00 36.38 31.47 2kpw s VAL 102 CO 0.22 0.48 -0.23 -0.63 -3.33 0.00 0.00 175.10 171.61 2kpw s ILE 103 N -1.08 1.80 -0.23 7.04 -1.09 0.81 -2.15 121.20 126.29 2kpw s ILE 103 Ca 0.19 -0.96 -0.06 0.00 -2.23 0.00 0.00 60.65 57.58 2kpw s ILE 103 Cb -0.12 -1.51 -0.02 0.00 -1.58 0.00 0.00 42.46 39.23 2kpw s ILE 103 CO 0.09 0.51 0.03 -0.76 -1.23 0.00 0.00 174.94 173.58 2kpw s LEU 104 N -0.40 3.29 0.10 2.97 1.43 -0.59 -0.81 118.68 124.67 2kpw s LEU 104 Ca 0.05 -0.24 0.08 0.00 -1.03 0.00 0.00 54.13 52.99 2kpw s LEU 104 Cb -0.10 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 2kpw s LEU 104 CO 0.00 -0.01 -0.15 -0.54 0.23 0.00 0.00 176.35 175.88 2kpw s LYS 105 N 1.45 1.95 0.60 1.70 1.02 -0.21 -2.30 119.74 123.96 2kpw s LYS 105 Ca 0.05 -1.09 -0.06 0.00 0.02 0.00 0.00 55.97 54.90 2kpw s LYS 105 Cb -0.15 -2.19 0.13 0.00 -0.52 0.00 0.00 37.83 35.10 2kpw s LYS 105 CO 0.02 0.50 0.82 0.09 -0.92 0.00 0.00 175.35 175.86 2kpw n ASN 106 N 0.92 0.53 -0.16 2.83 4.13 -1.01 -0.99 115.26 121.51 2kpw n ASN 106 Ca -0.15 -1.58 0.12 0.00 1.68 0.00 0.00 54.58 54.65 2kpw n ASN 106 Cb 0.52 -0.59 0.45 0.00 -1.54 0.00 0.00 39.78 38.63 2kpw n ASN 106 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 2kpw h SER 107 N -0.82 0.48 0.81 6.41 4.64 -1.51 0.31 113.55 123.87 2kpw h SER 107 Ca -0.27 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 2kpw h SER 107 Cb 0.86 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 2kpw h SER 107 CO 0.23 0.28 0.00 0.00 -0.87 0.00 0.00 176.83 176.47 2kpw n GLN 108 N -4.49 0.12 -0.65 4.77 6.02 -1.26 -4.91 117.38 116.97 2kpw n GLN 108 Ca 0.13 0.28 0.00 0.00 -0.01 0.00 0.00 57.00 57.40 2kpw n GLN 108 Cb 0.40 -1.70 0.00 0.00 1.02 0.00 0.00 30.24 29.97 2kpw n GLN 108 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kpw n GLY 109 N 0.40 0.80 4.00 1.08 0.00 0.10 -5.05 105.19 106.52 2kpw n GLY 109 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 2kpw n GLY 109 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kpw s GLU 110 N -0.35 1.65 -0.07 1.61 -1.05 -1.26 -4.71 118.70 114.52 2kpw s GLU 110 Ca 0.00 -1.19 -0.17 0.00 -0.15 0.00 0.00 54.97 53.46 2kpw s GLU 110 Cb 0.00 -2.34 -0.05 0.00 -0.44 0.00 0.00 34.13 31.30 2kpw s GLU 110 CO 0.00 -1.46 0.46 -2.00 0.95 0.00 0.00 175.26 173.20 2kpw s GLU 111 N -5.13 4.21 -0.19 -4.83 2.12 -1.26 -2.40 118.70 111.21 2kpw s GLU 111 Ca 0.67 0.45 -0.10 0.00 0.36 0.00 0.00 54.97 56.35 2kpw s GLU 111 Cb -0.05 -3.36 -0.08 0.00 0.26 0.00 0.00 34.13 30.90 2kpw s GLU 111 CO 0.44 0.35 -0.25 0.28 -0.54 0.00 0.00 175.26 175.54 2kpw n VAL 112 N 2.99 1.06 -3.55 3.70 0.31 -0.97 -4.99 118.33 116.88 2kpw n VAL 112 Ca -0.09 -0.26 -0.11 0.00 -0.01 0.00 0.00 64.34 63.87 2kpw n VAL 112 Cb 0.52 -1.77 -0.02 0.00 -0.91 0.00 0.00 33.84 31.65 2kpw n VAL 112 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kpw s ALA 113 N -2.36 -1.43 0.27 3.52 0.00 -1.26 -5.02 121.76 115.48 2kpw s ALA 113 Ca -0.27 0.23 -0.13 0.00 0.00 0.00 0.00 51.96 51.79 2kpw s ALA 113 Cb 0.10 0.87 0.00 0.00 0.00 0.00 0.00 23.12 24.10 2kpw s ALA 113 CO 0.34 -0.83 0.53 1.14 0.00 0.00 0.00 175.76 176.94 2kpw s GLN 114 N -3.80 1.66 -0.26 0.00 -2.07 -1.26 -1.54 119.66 112.39 2kpw s GLN 114 Ca 0.04 -1.27 -0.28 0.00 -1.82 0.00 0.00 55.36 52.02 2kpw s GLN 114 Cb -0.02 0.50 0.17 0.00 -1.09 0.00 0.00 33.01 32.57 2kpw s GLN 114 CO -0.08 -0.71 1.26 0.50 -1.32 0.00 0.00 175.29 174.95 2kpw s ARG 115 N -3.81 0.22 0.55 9.60 3.52 -0.91 -4.78 118.95 123.34 2kpw s ARG 115 Ca 0.21 0.09 0.05 0.00 -0.13 0.00 0.00 55.73 55.95 2kpw s ARG 115 Cb -0.02 0.11 0.04 0.00 -1.56 0.00 0.00 34.95 33.52 2kpw s ARG 115 CO 0.10 -0.06 0.37 -1.54 -0.81 0.00 0.00 175.30 173.36 2kpw s SER 116 N -0.78 4.57 -0.23 -2.12 1.04 -1.26 -0.86 113.70 114.05 2kpw s SER 116 Ca 0.06 -1.32 -0.29 0.00 0.48 0.00 0.00 55.95 54.87 2kpw s SER 116 Cb -0.02 0.51 -0.01 0.00 0.10 0.00 0.00 66.02 66.61 2kpw s SER 116 CO -0.07 -1.12 1.28 0.42 0.98 0.00 0.00 173.24 174.74 2kpw s THR 117 N -2.80 4.21 -0.42 2.02 -4.23 -0.52 -4.81 115.64 109.09 2kpw s THR 117 Ca 0.30 1.43 -0.25 0.00 -1.18 0.00 0.00 61.69 61.99 2kpw s THR 117 Cb -0.02 -4.07 0.02 0.00 1.34 0.00 0.00 72.50 69.77 2kpw s THR 117 CO 0.19 -0.29 0.87 -0.69 -0.54 0.00 0.00 174.62 174.16 2kpw s VAL 118 N 3.92 4.58 -1.16 2.29 1.01 -1.26 -4.80 120.40 124.98 2kpw s VAL 118 Ca 0.56 0.82 -0.18 0.00 0.00 0.00 0.00 61.98 63.17 2kpw s VAL 118 Cb -0.19 -4.35 -0.04 0.00 0.00 0.00 0.00 36.38 31.80 2kpw s VAL 118 CO 0.18 -0.67 2.07 0.49 0.00 0.00 0.00 175.10 177.18 2kpw n PHE 119 N 6.85 2.87 0.04 5.22 3.72 -1.26 -4.51 117.46 130.39 2kpw n PHE 119 Ca 0.05 -2.44 -0.21 0.00 -0.05 0.00 0.00 57.45 54.80 2kpw n PHE 119 Cb 0.48 -2.21 -0.14 0.00 -0.94 0.00 0.00 39.48 36.67 2kpw n PHE 119 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2kpw h LYS 120 N 6.96 0.31 -5.02 -1.08 3.64 -2.02 -3.50 116.57 115.86 2kpw h LYS 120 Ca 0.49 -0.54 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2kpw h LYS 120 Cb 0.67 0.20 -0.10 0.00 -0.41 0.00 0.00 32.23 32.59 2kpw h LYS 120 CO 1.88 1.22 -1.33 2.41 -2.27 0.00 0.00 179.45 181.36 2kpw n THR 121 N -3.51-11.90 -0.92 1.00 -1.04 -1.26 -5.33 114.28 91.31 2kpw n THR 121 Ca -0.26 2.62 0.00 0.00 -2.04 0.00 0.00 64.05 64.38 2kpw n THR 121 Cb 1.06 -6.05 0.00 0.00 -1.82 0.00 0.00 70.33 63.52 2kpw n THR 121 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50