#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kpw s GLY 2 N 0.00 2.82 -0.09 3.03 0.00 -1.26 -4.97 107.32 106.85 2kpw s GLY 2 Ca 0.00 1.09 0.13 0.00 0.00 0.00 0.00 44.72 45.94 2kpw s GLY 2 CO 0.00 1.57 1.12 1.42 0.00 0.00 0.00 173.10 177.21 2kpw n HIS 3 N -0.63 0.00 -3.83 1.90 -0.00 -1.26 -4.99 115.22 106.42 2kpw n HIS 3 Ca 0.08 -0.73 -0.29 0.00 -0.00 0.00 0.00 57.72 56.78 2kpw n HIS 3 Cb 0.47 -0.13 -0.16 0.00 -0.00 0.00 0.00 29.99 30.16 2kpw n HIS 3 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kpw s HIS 4 N -1.82 1.66 -0.09 4.41 0.09 -1.26 -5.03 115.29 113.25 2kpw s HIS 4 Ca 0.24 -1.29 -0.04 0.00 -0.00 0.00 0.00 55.06 53.96 2kpw s HIS 4 Cb 0.22 -1.30 -0.01 0.00 -0.00 0.00 0.00 32.58 31.48 2kpw s HIS 4 CO -0.01 -0.69 -0.09 0.45 -0.00 0.00 0.00 174.74 174.40 2kpw h HIS 5 N 8.11 0.00 -3.59 1.40 -0.00 -2.03 -3.46 115.15 115.58 2kpw h HIS 5 Ca -0.17 0.00 -0.65 0.00 -0.00 0.00 0.00 60.37 59.55 2kpw h HIS 5 Cb 1.09 0.00 -0.23 0.00 -0.00 0.00 0.00 27.41 28.27 2kpw h HIS 5 CO 0.38 0.00 -0.64 -3.38 -0.00 0.00 0.00 177.93 174.29 2kpw s HIS 6 N -1.70 3.06 -0.18 2.45 -0.00 -1.26 -5.07 115.29 112.59 2kpw s HIS 6 Ca -0.07 -0.50 -0.03 0.00 -0.00 0.00 0.00 55.06 54.47 2kpw s HIS 6 Cb 0.01 -2.21 0.06 0.00 -0.00 0.00 0.00 32.58 30.44 2kpw s HIS 6 CO 0.11 -0.37 0.03 -3.38 -0.00 0.00 0.00 174.74 171.13 2kpw s HIS 7 N 1.53 0.95 0.06 0.38 -3.43 -1.26 -5.05 115.29 108.48 2kpw s HIS 7 Ca 0.06 -0.75 0.01 0.00 -0.80 0.00 0.00 55.06 53.58 2kpw s HIS 7 Cb -0.15 -0.99 -0.03 0.00 -1.43 0.00 0.00 32.58 29.98 2kpw s HIS 7 CO 0.02 -0.57 -0.05 -1.58 -2.00 0.00 0.00 174.74 170.56 2kpw s HIS 8 N 1.88 0.64 -0.10 0.38 5.04 -1.26 -5.11 115.29 116.76 2kpw s HIS 8 Ca -0.00 -0.82 -0.39 0.00 -1.54 0.00 0.00 55.06 52.31 2kpw s HIS 8 Cb -0.16 -0.41 -0.17 0.00 0.04 0.00 0.00 32.58 31.88 2kpw s HIS 8 CO -0.08 -0.21 1.50 0.45 -2.34 0.00 0.00 174.74 174.07 2kpw n SER 9 N 0.55 1.82 -4.76 9.88 2.88 -1.26 -4.84 113.62 117.90 2kpw n SER 9 Ca -0.17 1.11 -0.41 0.00 -1.33 0.00 0.00 58.87 58.07 2kpw n SER 9 Cb 0.59 -1.14 -0.02 0.00 -0.75 0.00 0.00 64.21 62.89 2kpw n SER 9 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2kpw s HIS 10 N 1.85 3.07 0.06 0.66 0.09 -1.26 -5.04 115.29 114.72 2kpw s HIS 10 Ca 0.92 1.24 -0.07 0.00 -0.00 0.00 0.00 55.06 57.15 2kpw s HIS 10 Cb -1.05 -3.72 -0.01 0.00 -0.00 0.00 0.00 32.58 27.80 2kpw s HIS 10 CO 0.57 -2.16 0.13 -1.64 -0.00 0.00 0.00 174.74 171.64 2kpw s MET 11 N -0.99 0.71 0.11 1.40 1.00 -1.26 -5.08 119.30 115.18 2kpw s MET 11 Ca 0.54 -0.89 -0.16 0.00 0.00 0.00 0.00 55.69 55.19 2kpw s MET 11 Cb -0.40 0.28 -0.05 0.00 0.00 0.00 0.00 34.83 34.66 2kpw s MET 11 CO 0.47 -0.19 1.52 1.79 0.00 0.00 0.00 175.02 178.60 2kpw h THR 12 N 3.20 1.27 -3.72 2.05 1.35 -2.01 -3.49 112.91 111.56 2kpw h THR 12 Ca -0.33 -1.10 0.00 0.00 -0.55 0.00 0.00 66.41 64.43 2kpw h THR 12 Cb 1.18 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.89 2kpw h THR 12 CO 0.55 0.36 -0.18 0.61 -0.25 0.00 0.00 175.52 176.61 2kpw n GLY 13 N -0.22 -1.22 1.96 5.82 0.00 -1.26 -4.87 105.19 105.41 2kpw n GLY 13 Ca -0.02 0.28 -0.08 0.00 0.00 0.00 0.00 46.02 46.21 2kpw n GLY 13 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kpw n ASN 14 N -0.35 4.43 -4.32 1.61 4.13 -1.26 -4.80 115.26 114.71 2kpw n ASN 14 Ca 0.03 -2.29 -0.46 0.00 1.68 0.00 0.00 54.58 53.54 2kpw n ASN 14 Cb 0.13 -1.14 -0.04 0.00 -1.54 0.00 0.00 39.78 37.18 2kpw n ASN 14 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2kpw s VAL 15 N 1.09 5.27 0.24 2.41 1.01 -1.26 -1.38 120.40 127.78 2kpw s VAL 15 Ca 0.43 -1.68 0.09 0.00 0.00 0.00 0.00 61.98 60.83 2kpw s VAL 15 Cb 0.21 -4.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 2kpw s VAL 15 CO 0.00 -0.93 -0.00 0.00 0.00 0.00 0.00 175.10 174.17 2kpw s ILE 17 N -2.17 2.25 -0.01 0.00 1.01 -1.26 0.10 121.20 121.13 2kpw s ILE 17 Ca 0.30 0.22 -0.01 0.00 0.00 0.00 0.00 60.65 61.16 2kpw s ILE 17 Cb -0.07 -3.14 -0.00 0.00 0.01 0.00 0.00 42.46 39.26 2kpw s ILE 17 CO 0.19 0.04 -0.01 1.21 0.00 0.00 0.00 174.94 176.37 2kpw n GLU 18 N 2.01 0.03 -3.76 2.79 2.13 0.92 -4.72 120.64 120.04 2kpw n GLU 18 Ca 0.07 0.26 -0.13 0.00 0.66 0.00 0.00 57.16 58.02 2kpw n GLU 18 Cb 0.38 -0.81 -0.11 0.00 0.27 0.00 0.00 31.44 31.18 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 -1.10 0.36 -0.08 5.31 2.12 -0.94 -5.04 118.70 119.33 2kpw s GLU 19 Ca -0.01 0.47 -0.05 0.00 0.36 0.00 0.00 54.97 55.74 2kpw s GLU 19 Cb 0.00 0.15 -0.04 0.00 0.26 0.00 0.00 34.13 34.50 2kpw s GLU 19 CO 0.02 -0.06 0.12 0.42 -0.54 0.00 0.00 175.26 175.22 2kpw s ILE 20 N 0.32 5.23 0.47 -3.70 1.01 -1.26 -1.71 121.20 121.56 2kpw s ILE 20 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 60.65 60.44 2kpw s ILE 20 Cb -0.03 -3.31 -0.09 0.00 0.01 0.00 0.00 42.46 39.03 2kpw s ILE 20 CO -0.01 0.53 1.00 -0.62 0.00 0.00 0.00 174.94 175.84 2kpw s ASP 21 N -1.26 6.57 -0.04 3.58 2.15 -0.57 -4.89 116.67 122.21 2kpw s ASP 21 Ca 0.18 1.83 0.09 0.00 0.43 0.00 0.00 52.55 55.08 2kpw s ASP 21 Cb -0.12 -2.55 -0.23 0.00 -0.30 0.00 0.00 42.92 39.71 2kpw s ASP 21 CO 0.08 -0.62 0.67 1.62 -0.17 0.00 0.00 175.17 176.75 2kpw h VAL 22 N 1.67 0.88 -0.05 1.11 3.04 -1.92 -3.36 116.25 117.62 2kpw h VAL 22 Ca -0.49 -2.70 -0.15 0.00 -1.01 0.00 0.00 66.70 62.35 2kpw h VAL 22 Cb 1.20 2.47 -0.01 0.00 -2.01 0.00 0.00 31.29 32.94 2kpw h VAL 22 CO 0.60 0.58 -0.63 -0.78 -1.01 0.00 0.00 177.57 176.32 2kpw h ASP 23 N 0.01 0.21 0.00 3.17 3.58 -1.94 -3.44 116.42 118.00 2kpw h ASP 23 Ca -0.28 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.04 2kpw h ASP 23 Cb 2.00 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.99 2kpw h ASP 23 CO 0.09 0.79 0.00 0.61 -2.88 0.00 0.00 179.24 177.84 2kpw n GLY 24 N 0.32 1.60 0.11 -0.78 0.00 -1.26 -4.74 105.19 100.44 2kpw n GLY 24 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.33 0.55 -3.83 1.61 5.02 -1.26 -4.42 118.16 115.50 2kpw n LYS 25 Ca 0.00 0.41 -0.09 0.00 -2.02 0.00 0.00 58.31 56.61 2kpw n LYS 25 Cb 0.00 -1.61 -0.05 0.00 -0.02 0.00 0.00 35.03 33.36 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 -2.47 0.06 -0.25 2.13 -0.71 -1.26 -0.62 117.98 114.86 2kpw s PHE 26 Ca -0.30 -0.42 -0.00 0.00 -1.04 0.00 0.00 56.93 55.17 2kpw s PHE 26 Cb 0.08 0.27 0.07 0.00 -1.21 0.00 0.00 43.02 42.24 2kpw s PHE 26 CO 0.47 -0.89 0.02 0.42 -1.34 0.00 0.00 175.22 173.90 2kpw s ILE 27 N -3.92 1.17 -0.19 -4.49 1.01 0.51 -1.52 121.20 113.78 2kpw s ILE 27 Ca 0.13 -1.21 -0.18 0.00 0.00 0.00 0.00 60.65 59.39 2kpw s ILE 27 Cb -0.00 -1.65 -0.03 0.00 0.01 0.00 0.00 42.46 40.78 2kpw s ILE 27 CO -0.00 -0.33 0.52 -0.60 0.00 0.00 0.00 174.94 174.53 2kpw s ARG 28 N 1.53 4.20 0.53 2.79 3.52 -0.69 -0.40 118.95 130.43 2kpw s ARG 28 Ca 0.01 0.42 0.01 0.00 -0.13 0.00 0.00 55.73 56.04 2kpw s ARG 28 Cb -0.18 -3.55 0.10 0.00 -1.56 0.00 0.00 34.95 29.76 2kpw s ARG 28 CO -0.12 -0.12 0.73 1.28 -0.81 0.00 0.00 175.30 176.26 2kpw n LEU 29 N 4.70 0.00 -3.58 -0.88 4.32 -0.09 -0.06 117.00 121.41 2kpw n LEU 29 Ca -0.05 -1.63 -0.00 0.00 -0.02 0.00 0.00 56.01 54.31 2kpw n LEU 29 Cb 0.50 -0.46 -0.04 0.00 -1.62 0.00 0.00 43.42 41.80 2kpw n LEU 29 CO 0.42 -0.84 0.35 -0.75 -1.22 0.00 0.00 177.39 175.35 2kpw s LYS 30 N -4.37 0.50 -0.44 3.23 2.20 0.29 -3.92 119.74 117.24 2kpw s LYS 30 Ca 0.49 1.26 -0.22 0.00 -0.36 0.00 0.00 55.97 57.15 2kpw s LYS 30 Cb -0.03 0.76 0.02 0.00 -1.51 0.00 0.00 37.83 37.07 2kpw s LYS 30 CO 0.32 -0.18 0.71 1.21 -0.36 0.00 0.00 175.35 177.05 2kpw s ASN 31 N 2.78 6.37 -0.07 1.43 2.47 -1.00 -1.02 114.94 125.90 2kpw s ASN 31 Ca -0.05 -0.20 0.17 0.00 0.42 0.00 0.00 52.86 53.20 2kpw s ASN 31 Cb -0.10 -2.35 0.60 0.00 -1.45 0.00 0.00 41.25 37.95 2kpw s ASN 31 CO -0.19 -0.82 1.49 0.35 -3.72 0.00 0.00 177.10 174.21 2kpw n THR 32 N 5.95 1.36 -2.07 -5.21 -2.24 -0.48 -2.17 114.28 109.43 2kpw n THR 32 Ca 0.00 -0.95 -0.32 0.00 -2.27 0.00 0.00 64.05 60.51 2kpw n THR 32 Cb 0.48 0.16 -0.01 0.00 -2.10 0.00 0.00 70.33 68.86 2kpw n THR 32 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2kpw s SER 33 N -0.88 6.33 0.17 3.42 0.15 -1.26 -4.97 113.70 116.66 2kpw s SER 33 Ca 0.43 1.50 0.26 0.00 0.70 0.00 0.00 55.95 58.85 2kpw s SER 33 Cb 0.26 -2.49 0.91 0.00 -1.71 0.00 0.00 66.02 62.99 2kpw s SER 33 CO 0.23 -0.80 1.79 -0.62 1.20 0.00 0.00 173.24 175.04 2kpw n GLU 34 N -2.28 0.20 -4.34 5.44 1.02 -1.26 -4.39 120.64 115.03 2kpw n GLU 34 Ca 0.06 0.20 -0.30 0.00 -0.02 0.00 0.00 57.16 57.11 2kpw n GLU 34 Cb 0.54 -1.75 -0.11 0.00 -0.02 0.00 0.00 31.44 30.10 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 -3.10 1.89 -0.41 3.49 0.74 -1.26 -4.89 119.66 116.12 2kpw s GLN 35 Ca 0.10 -1.12 -0.28 0.00 0.05 0.00 0.00 55.36 54.11 2kpw s GLN 35 Cb 0.13 -2.16 -0.00 0.00 1.10 0.00 0.00 33.01 32.08 2kpw s GLN 35 CO 0.55 0.49 1.59 -0.51 -0.55 0.00 0.00 175.29 176.86 2kpw s ASP 36 N -2.05 6.08 -0.26 6.67 1.01 -1.26 -3.97 116.67 122.88 2kpw s ASP 36 Ca 0.18 0.92 -0.19 0.00 0.71 0.00 0.00 52.55 54.17 2kpw s ASP 36 Cb -0.11 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.27 2kpw s ASP 36 CO 0.10 -1.62 0.57 -1.10 0.21 0.00 0.00 175.17 173.32 2kpw s GLN 37 N 5.40 4.06 0.27 8.23 -1.52 0.79 -4.86 119.66 132.03 2kpw s GLN 37 Ca 0.68 0.40 -0.30 0.00 -1.95 0.00 0.00 55.36 54.19 2kpw s GLN 37 Cb -0.17 -3.66 -0.10 0.00 -0.22 0.00 0.00 33.01 28.86 2kpw s GLN 37 CO 0.32 -0.40 1.44 -1.25 -0.25 0.00 0.00 175.29 175.14 2kpw s PRO 38 N 2.41 4.26 0.23 2.91 0.04 -1.26 0.05 135.00 143.64 2kpw s PRO 38 Ca 0.23 2.33 -0.08 0.00 0.04 0.00 0.00 61.00 63.52 2kpw s PRO 38 Cb -0.16 -3.09 0.23 0.00 0.04 0.00 0.00 34.50 31.53 2kpw s PRO 38 CO 0.09 -0.41 1.89 1.98 0.04 0.00 0.00 177.00 180.59 2kpw h MET 39 N 4.64 1.09 0.00 4.56 4.05 -1.88 -3.46 114.93 123.94 2kpw h MET 39 Ca -0.47 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 58.89 2kpw h MET 39 Cb 1.22 -0.25 0.00 0.00 -0.80 0.00 0.00 31.60 31.77 2kpw h MET 39 CO 0.75 0.72 0.00 0.41 0.23 0.00 0.00 176.91 179.02 2kpw n GLY 40 N -1.34 1.11 0.00 1.39 0.00 -1.26 -4.14 105.19 100.95 2kpw n GLY 40 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 -0.95 4.03 -0.02 0.00 -1.26 -4.41 105.19 102.59 2kpw n GLY 41 Ca 0.00 0.44 -0.21 0.00 0.00 0.00 0.00 46.02 46.26 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 0.00 1.18 -0.18 1.61 0.52 -1.22 -3.57 118.94 117.28 2kpw s TRP 42 Ca 0.00 -0.72 -0.10 0.00 0.02 0.00 0.00 56.10 55.29 2kpw s TRP 42 Cb 0.00 -2.30 0.06 0.00 -1.15 0.00 0.00 33.47 30.08 2kpw s TRP 42 CO 0.00 -1.36 0.44 -2.00 0.02 0.00 0.00 176.95 174.05 2kpw s GLU 43 N -4.79 0.43 -0.39 4.98 2.12 -0.47 -0.53 118.70 120.05 2kpw s GLU 43 Ca 0.64 0.83 -0.15 0.00 0.36 0.00 0.00 54.97 56.64 2kpw s GLU 43 Cb -0.05 0.00 0.01 0.00 0.26 0.00 0.00 34.13 34.36 2kpw s GLU 43 CO 0.41 -0.15 0.31 1.41 -0.54 0.00 0.00 175.26 176.70 2kpw s MET 44 N 1.38 3.13 0.10 4.30 -2.45 0.14 -2.42 119.30 123.47 2kpw s MET 44 Ca -0.09 -0.87 -0.18 0.00 -1.25 0.00 0.00 55.69 53.30 2kpw s MET 44 Cb -0.08 -3.93 -0.07 0.00 1.25 0.00 0.00 34.83 32.00 2kpw s MET 44 CO -0.13 -0.69 0.56 0.42 1.05 0.00 0.00 175.02 176.23 2kpw s ILE 45 N 1.78 4.78 -0.04 10.11 1.09 0.24 -0.81 121.20 138.35 2kpw s ILE 45 Ca 0.07 1.08 -0.00 0.00 -1.10 0.00 0.00 60.65 60.70 2kpw s ILE 45 Cb -0.18 -3.84 0.03 0.00 -1.06 0.00 0.00 42.46 37.41 2kpw s ILE 45 CO 0.11 0.45 0.02 -0.60 -0.10 0.00 0.00 174.94 174.82 2kpw s ARG 46 N -1.39 0.23 0.03 2.79 3.52 0.14 0.14 118.95 124.41 2kpw s ARG 46 Ca 0.32 0.16 0.04 0.00 -0.13 0.00 0.00 55.73 56.12 2kpw s ARG 46 Cb -0.18 -0.54 -0.03 0.00 -1.56 0.00 0.00 34.95 32.64 2kpw s ARG 46 CO 0.19 -0.21 -0.09 0.15 -0.81 0.00 0.00 175.30 174.53 2kpw s LYS 47 N 1.42 2.41 0.00 5.12 1.02 -0.65 -1.01 119.74 128.05 2kpw s LYS 47 Ca -0.04 -0.81 0.00 0.00 0.02 0.00 0.00 55.97 55.14 2kpw s LYS 47 Cb -0.13 -2.42 0.00 0.00 -0.52 0.00 0.00 37.83 34.76 2kpw s LYS 47 CO -0.03 0.58 0.00 1.51 -0.92 0.00 0.00 175.35 176.49 2kpw n ILE 48 N 1.40 0.00 0.00 2.17 3.06 -1.21 -0.79 119.36 123.98 2kpw n ILE 48 Ca -0.15 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.10 2kpw n ILE 48 Cb 0.52 -0.19 0.00 0.00 0.54 0.00 0.00 39.64 40.52 2kpw n ILE 48 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2kpw n GLY 49 N 1.89 0.16 4.38 4.50 0.00 -1.26 -4.54 105.19 110.31 2kpw n GLY 49 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.68 2kpw n GLY 49 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kpw n ASP 50 N 0.00 0.00 -4.54 1.61 8.00 -1.26 -4.88 116.55 115.48 2kpw n ASP 50 Ca 0.00 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.20 2kpw n ASP 50 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 2kpw n ASP 50 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2kpw s THR 51 N 0.00 3.21 0.01 -3.53 -1.32 -1.26 -5.14 115.64 107.61 2kpw s THR 51 Ca 0.00 -1.25 0.01 0.00 -1.21 0.00 0.00 61.69 59.25 2kpw s THR 51 Cb 0.00 -2.46 -0.01 0.00 -1.51 0.00 0.00 72.50 68.52 2kpw s THR 51 CO 0.00 0.18 -0.05 -0.94 -2.21 0.00 0.00 174.62 171.60 2kpw s SER 52 N -1.99 0.54 0.06 8.08 1.04 -1.26 -3.34 113.70 116.83 2kpw s SER 52 Ca 0.19 -0.23 0.06 0.00 0.48 0.00 0.00 55.95 56.46 2kpw s SER 52 Cb -0.11 -0.02 -0.03 0.00 0.10 0.00 0.00 66.02 65.97 2kpw s SER 52 CO 0.11 -0.05 -0.18 0.54 0.98 0.00 0.00 173.24 174.65 2kpw s VAL 53 N -0.54 1.41 0.07 5.02 0.11 -0.18 -4.95 120.40 121.34 2kpw s VAL 53 Ca -0.03 -1.25 0.05 0.00 -2.93 0.00 0.00 61.98 57.82 2kpw s VAL 53 Cb -0.04 -1.27 -0.03 0.00 -1.53 0.00 0.00 36.38 33.50 2kpw s VAL 53 CO -0.00 -0.00 -0.13 -0.94 -3.33 0.00 0.00 175.10 170.70 2kpw s SER 54 N -1.45 1.52 -0.16 3.54 1.04 -1.26 0.27 113.70 117.19 2kpw s SER 54 Ca 0.04 -0.62 0.01 0.00 0.48 0.00 0.00 55.95 55.86 2kpw s SER 54 Cb -0.09 -0.03 0.02 0.00 0.10 0.00 0.00 66.02 66.02 2kpw s SER 54 CO 0.02 -0.11 -0.17 -0.47 0.98 0.00 0.00 173.24 173.50 2kpw s TYR 55 N -1.36 2.42 -0.07 5.02 5.04 0.01 -4.92 117.35 123.49 2kpw s TYR 55 Ca -0.03 -1.38 -0.24 0.00 -2.44 0.00 0.00 57.07 52.98 2kpw s TYR 55 Cb -0.10 -1.72 -0.03 0.00 0.35 0.00 0.00 41.96 40.46 2kpw s TYR 55 CO 0.02 -0.71 0.74 0.21 -1.34 0.00 0.00 175.55 174.47 2kpw s LYS 56 N 1.36 4.44 -0.21 4.97 2.20 -1.26 -0.69 119.74 130.54 2kpw s LYS 56 Ca 0.04 0.95 -0.21 0.00 -0.36 0.00 0.00 55.97 56.39 2kpw s LYS 56 Cb -0.13 -3.46 -0.02 0.00 -1.51 0.00 0.00 37.83 32.71 2kpw s LYS 56 CO -0.11 0.01 0.66 0.71 -0.36 0.00 0.00 175.35 176.26 2kpw s TYR 57 N 0.96 3.36 0.22 4.03 1.51 0.31 -4.97 117.35 122.75 2kpw s TYR 57 Ca 0.39 0.94 -0.27 0.00 -1.01 0.00 0.00 57.07 57.12 2kpw s TYR 57 Cb -0.18 -2.84 -0.09 0.00 -0.11 0.00 0.00 41.96 38.75 2kpw s TYR 57 CO 0.19 -0.22 0.86 -0.08 -1.11 0.00 0.00 175.55 175.19 2kpw s THR 58 N 2.10 4.22 -0.96 -0.71 -1.32 -1.26 -3.41 115.64 114.30 2kpw s THR 58 Ca 0.29 1.88 0.05 0.00 -1.21 0.00 0.00 61.69 62.70 2kpw s THR 58 Cb -0.16 -4.20 0.24 0.00 -1.51 0.00 0.00 72.50 66.87 2kpw s THR 58 CO 0.10 0.47 0.93 -1.54 -2.21 0.00 0.00 174.62 172.36 2kpw n SER 59 N 1.42 2.26 0.00 8.08 3.41 -1.26 -4.29 113.62 123.23 2kpw n SER 59 Ca -0.03 -2.24 0.06 0.00 -0.26 0.00 0.00 58.87 56.40 2kpw n SER 59 Cb 0.48 -0.49 0.28 0.00 -0.26 0.00 0.00 64.21 64.21 2kpw n SER 59 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2kpw n ARG 60 N 0.19 0.01 -3.94 4.33 1.85 -1.26 -4.76 116.66 113.08 2kpw n ARG 60 Ca 0.08 0.27 -0.09 0.00 -1.00 0.00 0.00 57.85 57.12 2kpw n ARG 60 Cb 0.49 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 30.35 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 -2.98 0.24 -0.06 2.89 1.13 -1.26 -5.04 117.35 112.26 2kpw s TYR 61 Ca 0.06 -0.60 -0.09 0.00 -1.41 0.00 0.00 57.07 55.03 2kpw s TYR 61 Cb 0.08 0.24 -0.05 0.00 -1.10 0.00 0.00 41.96 41.14 2kpw s TYR 61 CO 0.23 -0.97 0.24 0.54 -2.51 0.00 0.00 175.55 173.09 2kpw s VAL 62 N -3.98 5.33 -0.60 -3.49 0.11 -1.26 -3.43 120.40 113.08 2kpw s VAL 62 Ca 0.18 0.40 -0.20 0.00 -2.93 0.00 0.00 61.98 59.43 2kpw s VAL 62 Cb -0.01 -3.52 0.09 0.00 -1.53 0.00 0.00 36.38 31.41 2kpw s VAL 62 CO 0.06 0.57 0.76 -0.22 -3.33 0.00 0.00 175.10 172.94 2kpw s LEU 63 N -1.16 5.09 0.85 2.54 1.98 0.11 -4.92 118.68 123.17 2kpw s LEU 63 Ca 0.20 -1.26 -0.11 0.00 -2.89 0.00 0.00 54.13 50.06 2kpw s LEU 63 Cb -0.14 -2.35 0.10 0.00 0.66 0.00 0.00 46.19 44.46 2kpw s LEU 63 CO 0.09 -1.18 1.09 -0.54 -1.89 0.00 0.00 176.35 173.92 2kpw s LYS 64 N 3.04 1.61 0.01 1.98 1.02 -1.26 -0.15 119.74 125.98 2kpw s LYS 64 Ca 0.15 0.95 -0.30 0.00 0.02 0.00 0.00 55.97 56.78 2kpw s LYS 64 Cb -0.22 -1.84 -0.07 0.00 -0.52 0.00 0.00 37.83 35.18 2kpw s LYS 64 CO 0.08 -2.03 1.67 0.00 -0.92 0.00 0.00 175.35 174.14 2kpw s ALA 65 N -2.92 3.64 0.00 5.17 0.00 -1.25 -1.72 121.76 124.68 2kpw s ALA 65 Ca 0.63 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.68 2kpw s ALA 65 Cb -0.18 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.22 2kpw s ALA 65 CO 0.57 -1.26 0.00 0.41 0.00 0.00 0.00 175.76 175.48 2kpw n GLY 66 N 4.08 0.71 3.76 0.00 0.00 -0.92 -5.00 105.19 107.81 2kpw n GLY 66 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.20 4.31 -0.37 1.61 2.00 -0.70 -4.87 119.66 121.44 2kpw s GLN 67 Ca 0.00 0.68 0.00 0.00 -2.00 0.00 0.00 55.36 54.04 2kpw s GLN 67 Cb 0.00 -3.36 0.10 0.00 0.80 0.00 0.00 33.01 30.55 2kpw s GLN 67 CO 0.00 0.32 0.13 0.95 -0.50 0.00 0.00 175.29 176.19 2kpw s THR 68 N -0.00 2.85 0.08 -0.34 -4.23 -1.26 -2.37 115.64 110.37 2kpw s THR 68 Ca 0.30 -2.13 -0.30 0.00 -1.18 0.00 0.00 61.69 58.38 2kpw s THR 68 Cb -0.18 -2.99 -0.06 0.00 1.34 0.00 0.00 72.50 70.62 2kpw s THR 68 CO 0.16 -0.61 1.09 0.54 -0.54 0.00 0.00 174.62 175.25 2kpw s VAL 69 N 1.05 4.25 -0.24 2.29 0.11 -1.25 -4.80 120.40 121.80 2kpw s VAL 69 Ca 0.08 1.72 -0.10 0.00 -2.93 0.00 0.00 61.98 60.76 2kpw s VAL 69 Cb -0.21 -4.10 -0.05 0.00 -1.53 0.00 0.00 36.38 30.49 2kpw s VAL 69 CO -0.06 0.19 0.14 -0.89 -3.33 0.00 0.00 175.10 171.16 2kpw s THR 70 N 0.56 5.15 -0.75 5.04 2.01 -1.26 -0.91 115.64 125.48 2kpw s THR 70 Ca 0.53 0.11 -0.21 0.00 0.31 0.00 0.00 61.69 62.43 2kpw s THR 70 Cb -0.27 -3.40 0.10 0.00 0.01 0.00 0.00 72.50 68.94 2kpw s THR 70 CO 0.31 0.34 1.00 -0.63 -0.69 0.00 0.00 174.62 174.95 2kpw s ILE 71 N 1.15 4.53 0.05 1.82 -1.09 0.47 -1.51 121.20 126.62 2kpw s ILE 71 Ca 0.07 -0.90 -0.27 0.00 -2.23 0.00 0.00 60.65 57.32 2kpw s ILE 71 Cb -0.14 -4.70 -0.05 0.00 -1.58 0.00 0.00 42.46 35.99 2kpw s ILE 71 CO 0.05 -1.44 0.84 0.26 -1.23 0.00 0.00 174.94 173.42 2kpw s TRP 72 N 3.38 3.74 0.96 3.97 0.52 0.30 -0.36 118.94 131.45 2kpw s TRP 72 Ca 0.25 1.58 -0.11 0.00 0.02 0.00 0.00 56.10 57.83 2kpw s TRP 72 Cb -0.13 -2.91 0.17 0.00 -1.15 0.00 0.00 33.47 29.44 2kpw s TRP 72 CO 0.02 0.22 1.10 0.00 0.02 0.00 0.00 176.95 178.31 2kpw s ALA 73 N 0.10 1.09 0.65 0.98 0.00 0.21 0.15 121.76 124.95 2kpw s ALA 73 Ca 0.42 0.25 0.28 0.00 0.00 0.00 0.00 51.96 52.91 2kpw s ALA 73 Cb -0.21 -3.33 1.51 0.00 0.00 0.00 0.00 23.12 21.09 2kpw s ALA 73 CO 0.25 -2.83 1.86 0.00 0.00 0.00 0.00 175.76 175.04 2kpw h ALA 74 N -1.91 1.53 -0.22 0.00 0.00 -1.05 0.12 119.26 117.72 2kpw h ALA 74 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2kpw h ALA 74 Cb 1.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2kpw h ALA 74 CO 0.47 -0.44 0.00 0.09 0.00 0.00 0.00 179.25 179.37 2kpw n ASN 75 N -3.01 2.22 -0.11 0.00 5.03 -1.26 -4.10 115.26 114.03 2kpw n ASN 75 Ca 0.00 -2.21 0.01 0.00 0.87 0.00 0.00 54.58 53.25 2kpw n ASN 75 Cb 0.47 -0.43 0.30 0.00 -1.02 0.00 0.00 39.78 39.10 2kpw n ASN 75 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2kpw h ALA 76 N 2.98 1.50 0.00 5.41 0.00 -1.07 -3.46 119.26 124.61 2kpw h ALA 76 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2kpw h ALA 76 Cb 0.78 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2kpw h ALA 76 CO 0.11 0.42 0.00 0.41 0.00 0.00 0.00 179.25 180.20 2kpw n GLY 77 N -1.30 2.69 3.71 0.00 0.00 -1.26 -4.99 105.19 104.04 2kpw n GLY 77 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 2kpw n GLY 77 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kpw s VAL 78 N -0.50 2.72 0.32 1.61 -7.23 -1.26 -5.01 120.40 111.05 2kpw s VAL 78 Ca 0.00 0.23 -0.27 0.00 -1.81 0.00 0.00 61.98 60.14 2kpw s VAL 78 Cb 0.00 -2.64 -0.10 0.00 0.56 0.00 0.00 36.38 34.20 2kpw s VAL 78 CO 0.00 -0.31 0.99 0.28 -0.31 0.00 0.00 175.10 175.75 2kpw s THR 79 N -2.87 3.98 -1.26 5.32 -1.32 -1.26 -4.95 115.64 113.28 2kpw s THR 79 Ca 0.63 1.70 -0.19 0.00 -1.21 0.00 0.00 61.69 62.63 2kpw s THR 79 Cb -0.19 -3.97 0.01 0.00 -1.51 0.00 0.00 72.50 66.85 2kpw s THR 79 CO 0.57 0.19 1.86 0.00 -2.21 0.00 0.00 174.62 175.03 2kpw n ALA 80 N 0.62 3.38 -3.59 11.08 0.00 -1.26 -4.84 120.51 125.90 2kpw n ALA 80 Ca 0.02 -3.62 -0.29 0.00 0.00 0.00 0.00 53.44 49.54 2kpw n ALA 80 Cb 0.49 -3.57 -0.14 0.00 0.00 0.00 0.00 19.45 16.23 2kpw n ALA 80 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kpw s SER 81 N 4.67 3.48 1.14 0.00 0.15 -1.26 -5.15 113.70 116.74 2kpw s SER 81 Ca 0.57 -1.88 -0.19 0.00 0.70 0.00 0.00 55.95 55.15 2kpw s SER 81 Cb 0.05 -0.59 0.27 0.00 -1.71 0.00 0.00 66.02 64.03 2kpw s SER 81 CO 0.07 -0.36 1.17 -2.84 1.20 0.00 0.00 173.24 172.48 2kpw s PRO 82 N 1.37 -0.75 -0.30 5.44 0.02 -1.26 -4.71 135.00 134.82 2kpw s PRO 82 Ca 0.14 -0.19 -0.12 0.00 0.02 0.00 0.00 61.00 60.85 2kpw s PRO 82 Cb -0.20 -1.66 -0.04 0.00 0.02 0.00 0.00 34.50 32.62 2kpw s PRO 82 CO -0.16 -3.38 0.21 -1.25 -0.33 0.00 0.00 177.00 172.09 2kpw s PRO 83 N -5.56 3.84 0.29 5.54 0.04 -1.26 -5.08 135.00 132.80 2kpw s PRO 83 Ca 0.72 -0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.37 2kpw s PRO 83 Cb -0.08 -3.70 0.00 0.00 0.04 0.00 0.00 34.50 30.77 2kpw s PRO 83 CO 0.55 -0.25 0.00 -2.37 0.04 0.00 0.00 177.00 174.97 2kpw n THR 84 N 5.07 0.00 -4.24 1.26 5.66 -1.26 -5.16 114.28 115.62 2kpw n THR 84 Ca -0.14 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.70 2kpw n THR 84 Cb 0.51 -0.13 -0.08 0.00 -1.55 0.00 0.00 70.33 69.09 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 -2.76 1.20 -0.13 1.09 1.01 -1.26 -4.62 116.67 111.20 2kpw s ASP 85 Ca 0.00 -1.63 0.02 0.00 0.71 0.00 0.00 52.55 51.65 2kpw s ASP 85 Cb 0.00 0.53 0.01 0.00 1.01 0.00 0.00 42.92 44.47 2kpw s ASP 85 CO 0.00 -1.04 -0.18 -0.76 0.21 0.00 0.00 175.17 173.40 2kpw s LEU 86 N -3.30 1.87 -0.41 1.23 1.43 -0.57 -4.75 118.68 114.19 2kpw s LEU 86 Ca 0.39 -0.51 -0.19 0.00 -1.03 0.00 0.00 54.13 52.79 2kpw s LEU 86 Cb 0.03 -1.25 0.01 0.00 0.03 0.00 0.00 46.19 45.02 2kpw s LEU 86 CO 0.23 0.03 0.54 -0.63 0.23 0.00 0.00 176.35 176.74 2kpw s ILE 87 N 1.02 4.97 -1.12 -0.59 1.09 -1.26 -0.54 121.20 124.77 2kpw s ILE 87 Ca -0.04 0.03 -0.22 0.00 -1.10 0.00 0.00 60.65 59.32 2kpw s ILE 87 Cb -0.15 -4.08 -0.08 0.00 -1.06 0.00 0.00 42.46 37.09 2kpw s ILE 87 CO -0.04 -0.42 1.92 1.87 -0.10 0.00 0.00 174.94 178.17 2kpw n TRP 88 N 5.89 2.78 1.69 3.97 -0.00 0.39 -4.70 117.44 127.45 2kpw n TRP 88 Ca -0.04 -1.69 0.11 0.00 -0.00 0.00 0.00 57.50 55.87 2kpw n TRP 88 Cb 0.48 -2.45 0.66 0.00 -0.00 0.00 0.00 31.31 30.00 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 8.00 0.84 0.00 5.87 5.02 -1.26 -1.89 118.16 134.74 2kpw n LYS 89 Ca 0.46 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.88 2kpw n LYS 89 Cb 0.45 -1.41 0.26 0.00 -0.02 0.00 0.00 35.03 34.31 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 -0.91 1.45 -4.01 4.39 4.13 -1.26 -4.84 115.26 114.21 2kpw n ASN 90 Ca 0.17 -1.18 -0.12 0.00 1.68 0.00 0.00 54.58 55.13 2kpw n ASN 90 Cb 0.08 0.22 -0.12 0.00 -1.54 0.00 0.00 39.78 38.42 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 -2.43 0.40 0.37 3.52 0.74 -1.12 -4.92 119.66 116.22 2kpw s GLN 91 Ca 0.24 -0.61 -0.01 0.00 0.05 0.00 0.00 55.36 55.03 2kpw s GLN 91 Cb 0.19 -0.13 0.07 0.00 1.10 0.00 0.00 33.01 34.25 2kpw s GLN 91 CO 0.51 0.01 0.51 0.09 -0.55 0.00 0.00 175.29 175.86 2kpw n ASN 92 N 1.72 0.62 -4.66 6.67 4.13 -1.26 -2.47 115.26 120.01 2kpw n ASN 92 Ca -0.22 -1.54 -0.42 0.00 1.68 0.00 0.00 54.58 54.08 2kpw n ASN 92 Cb 0.55 -0.34 -0.03 0.00 -1.54 0.00 0.00 39.78 38.43 2kpw n ASN 92 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2kpw s SER 93 N -3.05 6.59 -0.24 6.41 1.04 -1.26 -4.80 113.70 118.38 2kpw s SER 93 Ca 0.33 2.41 -0.29 0.00 0.48 0.00 0.00 55.95 58.88 2kpw s SER 93 Cb -0.02 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2kpw s SER 93 CO 0.22 -0.97 1.17 -1.66 0.98 0.00 0.00 173.24 172.98 2kpw s TRP 94 N 4.07 3.02 0.00 5.02 -2.14 -1.26 -4.93 118.94 122.71 2kpw s TRP 94 Ca 0.79 1.15 0.00 0.00 2.66 0.00 0.00 56.10 60.69 2kpw s TRP 94 Cb -0.37 -3.56 0.00 0.00 -3.10 0.00 0.00 33.47 26.44 2kpw s TRP 94 CO 0.34 -1.16 0.00 0.41 -2.66 0.00 0.00 176.95 173.88 2kpw n GLY 95 N 3.73 -0.47 0.85 3.67 0.00 -1.26 -4.40 105.19 107.31 2kpw n GLY 95 Ca 0.13 0.81 -0.03 0.00 0.00 0.00 0.00 46.02 46.93 2kpw n GLY 95 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2kpw n THR 96 N 0.00 0.00 0.00 2.61 5.66 -1.26 -5.03 114.28 116.26 2kpw n THR 96 Ca 0.00 -0.08 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 2kpw n THR 96 Cb 0.00 0.38 0.00 0.00 -1.55 0.00 0.00 70.33 69.16 2kpw n THR 96 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kpw n GLY 97 N 0.04 1.49 3.66 1.09 0.00 -1.26 -4.94 105.19 105.26 2kpw n GLY 97 Ca -0.15 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 4.08 0.51 1.61 0.41 -1.26 -4.95 118.70 119.10 2kpw s GLU 98 Ca 0.00 2.43 -0.22 0.00 -0.41 0.00 0.00 54.97 56.77 2kpw s GLU 98 Cb 0.00 -4.13 -0.06 0.00 -1.78 0.00 0.00 34.13 28.16 2kpw s GLU 98 CO 0.00 -1.01 1.29 0.34 -0.49 0.00 0.00 175.26 175.39 2kpw s ASP 99 N 4.39 5.63 -0.08 -0.19 2.15 -1.26 -4.95 116.67 122.36 2kpw s ASP 99 Ca 0.85 2.60 0.02 0.00 0.43 0.00 0.00 52.55 56.45 2kpw s ASP 99 Cb -0.39 -2.62 0.01 0.00 -0.30 0.00 0.00 42.92 39.62 2kpw s ASP 99 CO 0.38 -1.31 -0.15 0.54 -0.17 0.00 0.00 175.17 174.46 2kpw s VAL 100 N -1.39 1.38 -0.01 1.11 0.11 -1.26 -4.52 120.40 115.82 2kpw s VAL 100 Ca 0.68 -0.60 0.05 0.00 -2.93 0.00 0.00 61.98 59.17 2kpw s VAL 100 Cb -0.36 -1.25 -0.03 0.00 -1.53 0.00 0.00 36.38 33.21 2kpw s VAL 100 CO 0.43 0.41 -0.15 -0.75 -3.33 0.00 0.00 175.10 171.72 2kpw s LYS 101 N 0.73 2.35 -0.11 1.54 2.20 0.03 -4.34 119.74 122.14 2kpw s LYS 101 Ca -0.13 -0.81 -0.03 0.00 -0.36 0.00 0.00 55.97 54.65 2kpw s LYS 101 Cb -0.16 -2.32 -0.03 0.00 -1.51 0.00 0.00 37.83 33.81 2kpw s LYS 101 CO 0.03 0.59 0.00 0.08 -0.36 0.00 0.00 175.35 175.69 2kpw s VAL 102 N -0.84 4.31 -0.13 4.02 1.01 0.06 -1.64 120.40 127.19 2kpw s VAL 102 Ca 0.13 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.89 2kpw s VAL 102 Cb -0.11 -2.84 0.02 0.00 0.00 0.00 0.00 36.38 33.45 2kpw s VAL 102 CO 0.03 0.57 -0.15 -0.63 0.00 0.00 0.00 175.10 174.92 2kpw s ILE 103 N -0.50 1.55 -0.08 2.22 -1.09 0.12 -1.41 121.20 122.01 2kpw s ILE 103 Ca 0.09 -0.65 -0.20 0.00 -2.23 0.00 0.00 60.65 57.66 2kpw s ILE 103 Cb -0.12 -1.43 -0.04 0.00 -1.58 0.00 0.00 42.46 39.28 2kpw s ILE 103 CO 0.02 0.45 0.57 -0.76 -1.23 0.00 0.00 174.94 173.99 2kpw s LEU 104 N 1.21 4.32 0.00 2.97 1.43 0.24 -0.60 118.68 128.26 2kpw s LEU 104 Ca -0.01 1.00 -0.02 0.00 -1.03 0.00 0.00 54.13 54.07 2kpw s LEU 104 Cb -0.14 -2.85 -0.01 0.00 0.03 0.00 0.00 46.19 43.22 2kpw s LEU 104 CO -0.06 -0.00 0.02 -0.54 0.23 0.00 0.00 176.35 176.00 2kpw s LYS 105 N 0.47 0.22 0.29 1.70 1.02 -1.01 -0.32 119.74 122.09 2kpw s LYS 105 Ca 0.30 -0.30 -0.02 0.00 0.02 0.00 0.00 55.97 55.98 2kpw s LYS 105 Cb -0.17 0.08 0.06 0.00 -0.52 0.00 0.00 37.83 37.29 2kpw s LYS 105 CO 0.14 -0.04 0.39 0.09 -0.92 0.00 0.00 175.35 175.01 2kpw n ASN 106 N 2.20 0.33 -0.31 2.83 4.13 -0.20 -1.37 115.26 122.87 2kpw n ASN 106 Ca -0.19 -1.32 0.09 0.00 1.68 0.00 0.00 54.58 54.84 2kpw n ASN 106 Cb 0.57 -0.27 0.25 0.00 -1.54 0.00 0.00 39.78 38.79 2kpw n ASN 106 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 2kpw h SER 107 N -0.34 0.58 0.06 6.41 0.02 -1.90 -0.63 113.55 117.75 2kpw h SER 107 Ca -0.13 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2kpw h SER 107 Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2kpw h SER 107 CO 0.12 0.23 -0.00 0.00 -1.14 0.00 0.00 176.83 176.03 2kpw n GLN 108 N -4.85 0.99 -0.55 3.45 6.02 -1.26 -4.87 117.38 116.32 2kpw n GLN 108 Ca 0.19 -0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 2kpw n GLN 108 Cb 0.47 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.24 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 1.05 0.77 3.76 1.08 0.00 -0.24 -5.04 105.19 106.56 2kpw n GLY 109 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.45 4.34 0.03 1.61 -1.05 -1.26 -4.73 118.70 117.18 2kpw s GLU 110 Ca 0.00 2.22 -0.26 0.00 -0.15 0.00 0.00 54.97 56.78 2kpw s GLU 110 Cb 0.00 -3.09 -0.05 0.00 -0.44 0.00 0.00 34.13 30.55 2kpw s GLU 110 CO 0.00 -0.24 0.82 -2.00 0.95 0.00 0.00 175.26 174.79 2kpw s GLU 111 N -1.39 4.53 -0.24 -4.83 2.12 -1.26 -1.04 118.70 116.59 2kpw s GLU 111 Ca 0.51 1.15 -0.18 0.00 0.36 0.00 0.00 54.97 56.82 2kpw s GLU 111 Cb -0.40 -3.39 -0.15 0.00 0.26 0.00 0.00 34.13 30.45 2kpw s GLU 111 CO 0.50 0.19 -0.07 0.28 -0.54 0.00 0.00 175.26 175.62 2kpw n VAL 112 N 3.12 1.53 -3.59 3.70 0.31 0.56 -4.95 118.33 119.01 2kpw n VAL 112 Ca -0.00 -0.18 -0.07 0.00 -0.01 0.00 0.00 64.34 64.08 2kpw n VAL 112 Cb 0.50 -1.99 -0.02 0.00 -0.91 0.00 0.00 33.84 31.43 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 -2.45 -1.75 -0.01 3.52 0.00 -1.24 -5.01 121.76 114.81 2kpw s ALA 113 Ca -0.33 0.65 0.01 0.00 0.00 0.00 0.00 51.96 52.29 2kpw s ALA 113 Cb 0.10 0.53 0.01 0.00 0.00 0.00 0.00 23.12 23.75 2kpw s ALA 113 CO 0.53 -0.83 -0.03 1.14 0.00 0.00 0.00 175.76 176.58 2kpw s GLN 114 N -3.22 0.34 0.07 0.00 -2.07 -1.26 -0.59 119.66 112.93 2kpw s GLN 114 Ca 0.08 -0.07 -0.26 0.00 -1.82 0.00 0.00 55.36 53.29 2kpw s GLN 114 Cb -0.01 -0.39 0.07 0.00 -1.09 0.00 0.00 33.01 31.60 2kpw s GLN 114 CO -0.05 0.00 0.65 0.50 -1.32 0.00 0.00 175.29 175.08 2kpw s ARG 115 N 0.33 1.16 0.07 9.60 3.52 -0.50 -5.01 118.95 128.11 2kpw s ARG 115 Ca -0.03 -0.19 0.01 0.00 -0.13 0.00 0.00 55.73 55.39 2kpw s ARG 115 Cb -0.06 0.54 -0.00 0.00 -1.56 0.00 0.00 34.95 33.86 2kpw s ARG 115 CO -0.01 -0.46 0.07 -1.13 -0.81 0.00 0.00 175.30 172.96 2kpw n SER 116 N 0.11 -0.18 -3.80 -2.12 3.41 -1.26 -0.76 113.62 109.01 2kpw n SER 116 Ca -0.17 -1.42 -0.12 0.00 -0.26 0.00 0.00 58.87 56.89 2kpw n SER 116 Cb 0.62 0.39 -0.10 0.00 -0.26 0.00 0.00 64.21 64.85 2kpw n SER 116 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2kpw s THR 117 N -2.34 0.04 -0.58 6.66 -1.32 -1.26 -4.75 115.64 112.08 2kpw s THR 117 Ca 0.07 -0.32 -0.21 0.00 -1.21 0.00 0.00 61.69 60.03 2kpw s THR 117 Cb 0.00 -0.46 0.07 0.00 -1.51 0.00 0.00 72.50 70.61 2kpw s THR 117 CO 0.05 -0.17 0.79 -0.69 -2.21 0.00 0.00 174.62 172.39 2kpw s VAL 118 N -0.68 4.63 -0.55 5.08 1.01 -1.26 -4.79 120.40 123.84 2kpw s VAL 118 Ca -0.08 -0.51 -0.18 0.00 0.00 0.00 0.00 61.98 61.21 2kpw s VAL 118 Cb -0.04 -4.51 0.09 0.00 0.00 0.00 0.00 36.38 31.92 2kpw s VAL 118 CO 0.02 -1.14 0.61 0.72 0.00 0.00 0.00 175.10 175.30 2kpw s PHE 119 N 3.25 3.08 0.12 5.22 -0.71 -1.26 -4.94 117.98 122.74 2kpw s PHE 119 Ca 0.18 -0.90 0.02 0.00 -1.04 0.00 0.00 56.93 55.19 2kpw s PHE 119 Cb -0.19 -3.74 -0.04 0.00 -1.21 0.00 0.00 43.02 37.83 2kpw s PHE 119 CO 0.11 -1.12 -0.06 -1.59 -1.34 0.00 0.00 175.22 171.22 2kpw s LYS 120 N 2.36 0.94 -0.12 1.99 -2.85 -1.26 -4.85 119.74 115.94 2kpw s LYS 120 Ca 0.10 -1.40 0.00 0.00 -1.00 0.00 0.00 55.97 53.68 2kpw s LYS 120 Cb -0.24 -0.31 0.02 0.00 -2.06 0.00 0.00 37.83 35.25 2kpw s LYS 120 CO 0.07 -0.02 -0.11 0.95 0.10 0.00 0.00 175.35 176.34 2kpw s THR 121 N -3.57 1.31 0.00 3.79 -4.23 -1.26 -5.17 115.64 106.51 2kpw s THR 121 Ca 0.15 -0.48 0.00 0.00 -1.18 0.00 0.00 61.69 60.18 2kpw s THR 121 Cb 0.05 -1.25 0.00 0.00 1.34 0.00 0.00 72.50 72.64 2kpw s THR 121 CO -0.02 0.41 0.00 1.07 -0.54 0.00 0.00 174.62 175.54