#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2klm s LYS 2 N 0.00 0.41 0.56 3.17 2.20 -1.26 -4.84 119.74 119.97 2klm s LYS 2 Ca 0.00 -0.14 0.00 0.00 -0.36 0.00 0.00 55.97 55.47 2klm s LYS 2 Cb 0.00 0.19 0.00 0.00 -1.51 0.00 0.00 37.83 36.51 2klm s LYS 2 CO 0.00 -0.18 0.00 1.17 -0.36 0.00 0.00 175.35 175.98 2klm n LYS 3 N -0.08 -3.59 -1.53 4.03 4.81 -1.26 -4.46 118.16 116.09 2klm n LYS 3 Ca -0.02 2.83 -0.42 0.00 -0.87 0.00 0.00 58.31 59.84 2klm n LYS 3 Cb 0.59 -3.67 -0.06 0.00 0.02 0.00 0.00 35.03 31.91 2klm n LYS 3 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 2klm n VAL 4 N -3.04 0.07 0.00 3.15 3.14 -1.26 -4.07 118.33 116.33 2klm n VAL 4 Ca -0.03 -0.50 -0.18 0.00 -2.96 0.00 0.00 64.34 60.67 2klm n VAL 4 Cb 0.51 -2.16 -0.14 0.00 -1.06 0.00 0.00 33.84 30.98 2klm n VAL 4 CO 0.00 0.00 0.00 -0.37 -6.46 0.00 0.00 176.83 170.00 2klm h VAL 5 N 7.50 1.55 -2.77 1.55 -1.51 -0.47 -3.46 116.25 118.63 2klm h VAL 5 Ca -0.25 -2.46 -0.66 0.00 -1.23 0.00 0.00 66.70 62.10 2klm h VAL 5 Cb 1.28 3.20 -0.07 0.00 -2.13 0.00 0.00 31.29 33.57 2klm h VAL 5 CO 1.12 0.67 -0.50 0.00 -1.23 0.00 0.00 177.57 177.63 2klm s ALA 6 N -2.37 3.84 -0.31 5.19 0.00 -0.36 -4.98 121.76 122.78 2klm s ALA 6 Ca -0.16 -0.70 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 2klm s ALA 6 Cb 0.00 -1.88 0.10 0.00 0.00 0.00 0.00 23.12 21.34 2klm s ALA 6 CO 0.78 0.66 0.10 0.54 0.00 0.00 0.00 175.76 177.84 2klm s VAL 7 N -1.11 0.80 -0.94 0.00 0.11 -1.26 0.27 120.40 118.27 2klm s VAL 7 Ca 0.19 -1.36 -0.20 0.00 -2.93 0.00 0.00 61.98 57.68 2klm s VAL 7 Cb -0.12 -1.62 0.11 0.00 -1.53 0.00 0.00 36.38 33.22 2klm s VAL 7 CO 0.09 -0.68 1.20 -0.69 -3.33 0.00 0.00 175.10 171.68 2klm s VAL 8 N 1.64 4.52 -0.29 2.04 1.01 -0.77 -4.82 120.40 123.73 2klm s VAL 8 Ca 0.10 -1.33 -0.29 0.00 0.00 0.00 0.00 61.98 60.45 2klm s VAL 8 Cb -0.17 -4.85 0.01 0.00 0.00 0.00 0.00 36.38 31.37 2klm s VAL 8 CO -0.26 -1.61 1.12 -0.75 0.00 0.00 0.00 175.10 173.59 2klm s LYS 9 N 3.30 4.10 0.05 2.72 2.20 -1.26 -1.32 119.74 129.53 2klm s LYS 9 Ca 0.36 1.20 -0.09 0.00 -0.36 0.00 0.00 55.97 57.08 2klm s LYS 9 Cb -0.04 -3.74 0.03 0.00 -1.51 0.00 0.00 37.83 32.57 2klm s LYS 9 CO -0.09 -0.86 0.43 1.47 -0.36 0.00 0.00 175.35 175.94 2klm n LEU 10 N 6.85 0.00 -4.97 5.43 -0.00 -0.64 -5.01 117.00 118.66 2klm n LEU 10 Ca 0.13 -0.48 -0.21 0.00 -0.00 0.00 0.00 56.01 55.45 2klm n LEU 10 Cb 0.47 1.02 -0.01 0.00 -0.00 0.00 0.00 43.42 44.90 2klm n LEU 10 CO 0.58 -0.16 0.07 -1.10 -0.00 0.00 0.00 177.39 176.79 2klm s GLN 11 N -2.02 3.27 -0.32 1.47 1.11 -1.26 -1.67 119.66 120.24 2klm s GLN 11 Ca 0.10 -0.76 0.01 0.00 0.01 0.00 0.00 55.36 54.72 2klm s GLN 11 Cb -0.01 -2.78 0.15 0.00 -1.01 0.00 0.00 33.01 29.36 2klm s GLN 11 CO 0.02 0.15 0.35 -0.51 0.01 0.00 0.00 175.29 175.31 2klm s LEU 12 N -4.19 -0.34 0.55 2.90 1.43 -0.52 -4.85 118.68 113.66 2klm s LEU 12 Ca 0.41 -0.93 -0.20 0.00 -1.03 0.00 0.00 54.13 52.38 2klm s LEU 12 Cb -0.09 0.69 -0.07 0.00 0.03 0.00 0.00 46.19 46.75 2klm s LEU 12 CO 0.32 -0.34 0.96 -2.65 0.23 0.00 0.00 176.35 174.87 2klm n PRO 13 N 4.97 1.04 -3.59 1.29 -0.02 -1.26 -2.21 135.00 135.22 2klm n PRO 13 Ca 0.03 0.39 -0.36 0.00 -2.02 0.00 0.00 63.50 61.54 2klm n PRO 13 Cb 0.47 -2.12 -0.06 0.00 -0.02 0.00 0.00 33.50 31.77 2klm n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2klm s ALA 14 N -1.46 3.74 -0.63 3.55 0.00 0.27 -4.00 121.76 123.23 2klm s ALA 14 Ca 0.71 -0.35 -0.03 0.00 0.00 0.00 0.00 51.96 52.30 2klm s ALA 14 Cb -0.45 -2.27 0.03 0.00 0.00 0.00 0.00 23.12 20.42 2klm s ALA 14 CO 0.51 0.54 0.10 0.41 0.00 0.00 0.00 175.76 177.32 2klm n GLY 15 N 1.41 -0.49 1.83 0.00 0.00 -1.26 -1.51 105.19 105.16 2klm n GLY 15 Ca -0.12 0.02 -0.03 0.00 0.00 0.00 0.00 46.02 45.89 2klm n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2klm n LYS 16 N -2.86 0.64 -4.33 1.61 5.02 -1.26 -4.83 118.16 112.16 2klm n LYS 16 Ca -0.04 -1.56 -0.28 0.00 -2.02 0.00 0.00 58.31 54.41 2klm n LYS 16 Cb 0.54 0.12 -0.11 0.00 -0.02 0.00 0.00 35.03 35.56 2klm n LYS 16 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2klm s ALA 17 N -0.45 2.69 0.24 7.82 0.00 -1.26 -4.58 121.76 126.21 2klm s ALA 17 Ca 0.12 -1.43 -0.18 0.00 0.00 0.00 0.00 51.96 50.47 2klm s ALA 17 Cb 0.24 -0.59 0.02 0.00 0.00 0.00 0.00 23.12 22.79 2klm s ALA 17 CO -0.07 0.54 0.59 0.95 0.00 0.00 0.00 175.76 177.76 2klm s THR 18 N -1.33 0.01 0.00 0.00 -4.23 -1.26 -5.00 115.64 103.82 2klm s THR 18 Ca 0.19 -1.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.69 2klm s THR 18 Cb -0.10 -1.89 0.00 0.00 1.34 0.00 0.00 72.50 71.85 2klm s THR 18 CO 0.11 -0.04 0.12 -2.65 -0.54 0.00 0.00 174.62 171.62 2klm n PRO 19 N -0.40 0.08 -2.73 3.99 -0.02 -1.26 -3.14 135.00 131.51 2klm n PRO 19 Ca -0.06 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.34 2klm n PRO 19 Cb 0.61 -1.46 0.09 0.00 -0.02 0.00 0.00 33.50 32.72 2klm n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2klm n ALA 20 N 1.57 -0.17 -1.90 3.55 0.00 -1.26 -5.05 120.51 117.24 2klm n ALA 20 Ca 0.00 -1.48 -0.29 0.00 0.00 0.00 0.00 53.44 51.67 2klm n ALA 20 Cb 0.04 -1.11 0.09 0.00 0.00 0.00 0.00 19.45 18.46 2klm n ALA 20 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2klm s PRO 21 N 0.16 2.03 0.55 0.00 0.04 -1.19 -4.93 135.00 131.66 2klm s PRO 21 Ca 0.22 0.12 0.26 0.00 0.04 0.00 0.00 61.00 61.65 2klm s PRO 21 Cb 0.32 -1.96 1.46 0.00 0.04 0.00 0.00 34.50 34.36 2klm s PRO 21 CO -0.06 -1.55 2.01 -1.35 0.04 0.00 0.00 177.00 176.09 2klm h PRO 22 N -1.01 0.00 0.00 0.56 0.11 -1.96 -2.92 132.00 126.77 2klm h PRO 22 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2klm h PRO 22 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2klm h PRO 22 CO 0.66 0.00 -0.19 0.28 -0.21 0.00 0.00 178.00 178.54 2klm h VAL 23 N 0.00 0.00 0.00 3.15 2.07 -1.98 -3.47 116.25 116.02 2klm h VAL 23 Ca 0.20 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.91 2klm h VAL 23 Cb 0.88 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2klm h VAL 23 CO -0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 2klm n GLY 24 N 1.74 0.57 0.43 2.17 0.00 -1.10 -1.15 105.19 107.83 2klm n GLY 24 Ca -0.03 0.70 -0.14 0.00 0.00 0.00 0.00 46.02 46.56 2klm n GLY 24 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2klm h PRO 25 N 0.00 -0.44 -0.72 1.61 0.11 -1.87 1.06 132.00 131.75 2klm h PRO 25 Ca 0.00 0.03 0.21 0.00 0.11 0.00 0.00 66.00 66.35 2klm h PRO 25 Cb 0.00 0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.18 2klm h PRO 25 CO 0.00 -0.29 0.73 0.00 -0.21 0.00 0.00 178.00 178.23 2klm h ALA 26 N -0.25 2.53 -0.29 -0.75 0.00 -1.49 1.61 119.26 120.61 2klm h ALA 26 Ca 0.05 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 2klm h ALA 26 Cb 0.59 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 2klm h ALA 26 CO -0.48 -1.11 -0.07 -0.11 0.00 0.00 0.00 179.25 177.48 2klm n LEU 27 N -3.65 3.87 -2.69 0.00 7.94 0.29 -4.58 117.00 118.18 2klm n LEU 27 Ca 0.15 -3.53 -0.03 0.00 -1.11 0.00 0.00 56.01 51.49 2klm n LEU 27 Cb 0.99 -0.59 0.12 0.00 0.53 0.00 0.00 43.42 44.47 2klm n LEU 27 CO 0.29 1.07 0.56 0.61 -1.11 0.00 0.00 177.39 178.80 2klm n GLY 28 N -0.99 1.87 0.00 -3.96 0.00 0.54 -4.80 105.19 97.86 2klm n GLY 28 Ca 0.28 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2klm n GLY 28 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2klm n GLN 29 N -1.26 3.55 0.04 1.61 6.02 -0.81 -4.76 117.38 121.77 2klm n GLN 29 Ca -0.13 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 56.89 2klm n GLN 29 Cb 0.87 -0.30 0.13 0.00 1.02 0.00 0.00 30.24 31.96 2klm n GLN 29 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 2klm n HIS 30 N 0.00 0.16 0.00 1.08 -0.00 -1.26 -4.75 115.22 110.45 2klm n HIS 30 Ca 0.00 0.08 0.00 0.00 0.46 0.00 0.00 57.72 58.26 2klm n HIS 30 Cb 0.00 -0.61 0.00 0.00 -0.12 0.00 0.00 29.99 29.26 2klm n HIS 30 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2klm n GLY 31 N -1.43 2.03 0.00 1.57 0.00 -1.26 -5.05 105.19 101.05 2klm n GLY 31 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2klm n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2klm n ALA 32 N -2.00 0.00 -3.16 4.61 0.00 -1.26 -5.09 120.51 113.61 2klm n ALA 32 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2klm n ALA 32 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2klm n ALA 32 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2klm n ASN 33 N 0.00 0.59 0.00 0.00 5.03 -1.26 -5.02 115.26 114.60 2klm n ASN 33 Ca 0.00 -0.56 0.00 0.00 0.87 0.00 0.00 54.58 54.89 2klm n ASN 33 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 2klm n ASN 33 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 2klm n ILE 34 N 0.00 0.00 -0.41 2.41 2.08 -1.26 -4.74 119.36 117.44 2klm n ILE 34 Ca 0.00 0.00 0.35 0.00 0.56 0.00 0.00 62.75 63.66 2klm n ILE 34 Cb 0.00 -0.06 0.62 0.00 -0.75 0.00 0.00 39.64 39.45 2klm n ILE 34 CO 0.00 0.00 0.00 -0.03 0.56 0.00 0.00 176.55 177.08 2klm h MET 35 N 0.00 0.07 0.43 0.38 4.05 -1.98 1.13 114.93 119.01 2klm h MET 35 Ca 0.00 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 2klm h MET 35 Cb 0.00 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 30.79 2klm h MET 35 CO 0.00 0.05 -0.22 1.49 0.23 0.00 0.00 176.91 178.46 2klm h GLU 36 N 0.07 -0.57 -0.51 0.39 4.57 -1.98 2.49 114.58 119.05 2klm h GLU 36 Ca 0.83 0.04 0.07 0.00 -1.18 0.00 0.00 59.36 59.12 2klm h GLU 36 Cb 2.46 0.13 -0.10 0.00 -0.16 0.00 0.00 28.75 31.09 2klm h GLU 36 CO -0.54 -0.38 -0.49 0.35 -1.18 0.00 0.00 179.01 176.77 2klm h PHE 37 N -0.59 -1.48 -0.53 0.92 3.57 0.99 -0.71 116.94 119.10 2klm h PHE 37 Ca -0.06 0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 2klm h PHE 37 Cb 0.46 0.72 -0.02 0.00 2.79 0.00 0.00 35.95 39.89 2klm h PHE 37 CO -0.05 -0.45 0.21 0.28 -2.23 0.00 0.00 178.31 176.07 2klm h VAL 38 N -0.30 1.22 -0.56 1.41 2.07 -1.00 -1.96 116.25 117.12 2klm h VAL 38 Ca 0.13 -0.67 0.07 0.00 0.82 0.00 0.00 66.70 67.05 2klm h VAL 38 Cb 0.57 0.66 -0.10 0.00 -1.52 0.00 0.00 31.29 30.91 2klm h VAL 38 CO -0.65 0.26 -0.52 0.50 0.02 0.00 0.00 177.57 177.18 2klm h LYS 39 N 0.72 -0.27 -0.84 1.57 3.64 0.57 2.06 116.57 124.03 2klm h LYS 39 Ca 0.18 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 2klm h LYS 39 Cb 0.20 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 2klm h LYS 39 CO -0.01 -0.18 0.42 0.00 -2.27 0.00 0.00 179.45 177.41 2klm h ALA 40 N 0.29 1.08 -1.27 5.00 0.00 -1.17 0.37 119.26 123.57 2klm h ALA 40 Ca 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2klm h ALA 40 Cb 0.56 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2klm h ALA 40 CO -0.69 0.63 0.00 0.34 0.00 0.00 0.00 179.25 179.53 2klm n PHE 41 N -4.34 0.00 -0.33 0.00 7.35 0.50 -1.38 117.46 119.26 2klm n PHE 41 Ca 0.08 0.00 0.20 0.00 -0.76 0.00 0.00 57.45 56.97 2klm n PHE 41 Cb 0.12 -0.29 0.38 0.00 0.35 0.00 0.00 39.48 40.04 2klm n PHE 41 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2klm n ASN 42 N -1.37 0.02 -0.16 -2.13 3.02 0.67 0.14 115.26 115.46 2klm n ASN 42 Ca 0.00 1.67 0.05 0.00 -0.03 0.00 0.00 54.58 56.27 2klm n ASN 42 Cb 0.00 -0.67 0.34 0.00 -0.61 0.00 0.00 39.78 38.85 2klm n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2klm h ALA 43 N 1.97 1.66 0.06 5.41 0.00 -0.19 1.09 119.26 129.28 2klm h ALA 43 Ca 0.67 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 55.30 2klm h ALA 43 Cb 1.53 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 2klm h ALA 43 CO -0.88 0.25 -1.33 0.00 0.00 0.00 0.00 179.25 177.29 2klm h ALA 44 N 1.61 0.24 0.00 0.00 0.00 0.25 -1.02 119.26 120.34 2klm h ALA 44 Ca 0.28 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 54.06 2klm h ALA 44 Cb 0.15 0.58 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2klm h ALA 44 CO -0.09 0.79 0.00 1.79 0.00 0.00 0.00 179.25 181.74 2klm h THR 45 N -0.57 0.00 0.06 0.00 1.35 -0.19 0.19 112.91 113.74 2klm h THR 45 Ca -0.32 -0.13 -0.32 0.00 -0.55 0.00 0.00 66.41 65.10 2klm h THR 45 Cb 1.56 1.08 -0.03 0.00 -1.73 0.00 0.00 68.15 69.04 2klm h THR 45 CO -0.05 0.00 -1.76 0.00 -0.25 0.00 0.00 175.52 173.46 2klm h ALA 46 N 2.01 0.58 0.00 6.62 0.00 0.12 -1.34 119.26 127.25 2klm h ALA 46 Ca 0.00 -1.38 -0.01 0.00 0.00 0.00 0.00 54.91 53.52 2klm h ALA 46 Cb 0.13 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2klm h ALA 46 CO 0.00 1.43 -0.04 -0.97 0.00 0.00 0.00 179.25 179.66 2klm h ASN 47 N 0.03 0.00 0.00 0.00 -1.24 0.70 -3.37 115.58 111.70 2klm h ASN 47 Ca -0.32 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.69 2klm h ASN 47 Cb 2.02 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.07 2klm h ASN 47 CO 0.10 0.04 0.00 1.15 -1.29 0.00 0.00 177.43 177.43 2klm n MET 48 N -3.91 0.00 -3.61 6.67 0.00 -0.25 -5.07 117.12 110.95 2klm n MET 48 Ca -0.03 0.00 0.01 0.00 0.00 0.00 0.00 57.70 57.69 2klm n MET 48 Cb 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.35 2klm n MET 48 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2klm s GLY 49 N -0.72 -0.42 0.27 3.17 0.00 -0.50 -5.07 107.32 104.05 2klm s GLY 49 Ca 0.00 0.81 -0.29 0.00 0.00 0.00 0.00 44.72 45.23 2klm s GLY 49 CO 0.00 0.16 1.27 0.51 0.00 0.00 0.00 173.10 175.04 2klm s ASP 50 N -2.92 6.92 0.00 1.64 -4.77 -1.26 -4.31 116.67 111.97 2klm s ASP 50 Ca 0.14 2.49 0.00 0.00 -3.30 0.00 0.00 52.55 51.88 2klm s ASP 50 Cb 0.05 -2.63 0.00 0.00 -1.09 0.00 0.00 42.92 39.25 2klm s ASP 50 CO -0.04 -0.45 0.00 0.00 0.70 0.00 0.00 175.17 175.37 2klm n ALA 51 N 1.64 0.00 -3.72 2.11 0.00 -0.57 -4.89 120.51 115.08 2klm n ALA 51 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.27 2klm n ALA 51 Cb 0.43 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.71 2klm n ALA 51 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2klm s ILE 52 N -1.02 0.11 -0.13 0.00 -1.09 -1.26 0.97 121.20 118.77 2klm s ILE 52 Ca 0.00 0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.63 2klm s ILE 52 Cb 0.00 -0.27 0.02 0.00 -1.58 0.00 0.00 42.46 40.63 2klm s ILE 52 CO 0.00 0.17 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.07 2klm s VAL 53 N 1.55 1.42 0.31 2.92 1.01 -0.94 -4.87 120.40 121.80 2klm s VAL 53 Ca -0.02 -0.55 -0.28 0.00 0.00 0.00 0.00 61.98 61.13 2klm s VAL 53 Cb -0.13 -1.35 -0.09 0.00 0.00 0.00 0.00 36.38 34.81 2klm s VAL 53 CO -0.03 0.43 1.06 -2.16 0.00 0.00 0.00 175.10 174.41 2klm s PRO 54 N 1.46 4.54 0.19 2.72 0.04 -1.26 -1.44 135.00 141.25 2klm s PRO 54 Ca 0.03 1.68 -0.22 0.00 0.04 0.00 0.00 61.00 62.53 2klm s PRO 54 Cb -0.13 -3.02 0.05 0.00 0.04 0.00 0.00 34.50 31.44 2klm s PRO 54 CO -0.09 0.15 0.63 0.54 0.04 0.00 0.00 177.00 178.28 2klm s VAL 55 N -1.31 0.00 -0.17 -0.36 0.11 -0.67 -4.92 120.40 113.09 2klm s VAL 55 Ca 0.48 -0.31 -0.01 0.00 -2.93 0.00 0.00 61.98 59.21 2klm s VAL 55 Cb -0.28 -1.30 0.04 0.00 -1.53 0.00 0.00 36.38 33.31 2klm s VAL 55 CO 0.36 -0.01 -0.05 -1.61 -3.33 0.00 0.00 175.10 170.47 2klm s GLU 56 N -3.80 1.37 -1.03 1.54 2.02 -1.26 -1.61 118.70 115.92 2klm s GLU 56 Ca 0.04 -0.51 -0.23 0.00 0.02 0.00 0.00 54.97 54.29 2klm s GLU 56 Cb -0.02 -2.01 0.02 0.00 0.10 0.00 0.00 34.13 32.22 2klm s GLU 56 CO -0.07 -0.45 1.65 0.42 0.02 0.00 0.00 175.26 176.83 2klm s ILE 57 N 1.65 3.79 -0.32 -1.63 1.01 -0.43 -4.66 121.20 120.60 2klm s ILE 57 Ca 0.00 -0.80 -0.29 0.00 0.00 0.00 0.00 60.65 59.57 2klm s ILE 57 Cb -0.15 -4.75 -0.00 0.00 0.01 0.00 0.00 42.46 37.56 2klm s ILE 57 CO -0.08 -1.62 1.40 0.42 0.00 0.00 0.00 174.94 175.06 2klm s THR 58 N 6.68 3.98 -0.06 2.92 -4.23 -0.60 -1.85 115.64 122.47 2klm s THR 58 Ca 0.55 1.08 0.05 0.00 -1.18 0.00 0.00 61.69 62.19 2klm s THR 58 Cb -0.01 -4.08 -0.01 0.00 1.34 0.00 0.00 72.50 69.73 2klm s THR 58 CO -0.04 -0.52 -0.22 -0.63 -0.54 0.00 0.00 174.62 172.66 2klm s ILE 59 N 4.87 2.30 0.06 2.99 1.01 0.14 0.26 121.20 132.83 2klm s ILE 59 Ca 0.61 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 60.32 2klm s ILE 59 Cb -0.17 -1.86 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 2klm s ILE 59 CO 0.27 0.57 -0.04 -0.72 0.00 0.00 0.00 174.94 175.02 2klm s TYR 60 N -0.24 2.92 0.63 3.97 1.13 -0.77 0.20 117.35 125.18 2klm s TYR 60 Ca -0.01 -0.05 0.30 0.00 -1.41 0.00 0.00 57.07 55.90 2klm s TYR 60 Cb -0.13 -1.55 1.59 0.00 -1.10 0.00 0.00 41.96 40.77 2klm s TYR 60 CO 0.03 0.44 1.94 0.00 -2.51 0.00 0.00 175.55 175.44 2klm h ALA 61 N 3.89 1.66 0.00 9.51 0.00 -1.85 0.50 119.26 132.96 2klm h ALA 61 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2klm h ALA 61 Cb 1.17 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2klm h ALA 61 CO 0.56 -0.45 0.00 -0.25 0.00 0.00 0.00 179.25 179.11 2klm n ASP 62 N -3.26 0.00 -3.02 0.00 8.00 -1.26 -4.75 116.55 112.25 2klm n ASP 62 Ca 0.02 -0.31 -0.02 0.00 0.71 0.00 0.00 54.79 55.18 2klm n ASP 62 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 2klm n ASP 62 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2klm n ARG 63 N -0.59 -1.57 -3.75 -1.24 1.74 0.17 -5.06 116.66 106.37 2klm n ARG 63 Ca 0.01 1.64 -0.13 0.00 -0.77 0.00 0.00 57.85 58.59 2klm n ARG 63 Cb 0.00 -5.70 -0.09 0.00 -1.02 0.00 0.00 32.46 25.66 2klm n ARG 63 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2klm s SER 64 N -2.90 -0.25 -0.27 0.55 0.01 -0.98 -4.99 113.70 104.87 2klm s SER 64 Ca 0.06 0.26 0.02 0.00 1.31 0.00 0.00 55.95 57.59 2klm s SER 64 Cb -0.02 0.42 0.07 0.00 0.21 0.00 0.00 66.02 66.71 2klm s SER 64 CO 0.76 -0.37 -0.02 -0.36 0.41 0.00 0.00 173.24 173.65 2klm s PHE 65 N -0.96 2.72 -0.24 2.43 0.40 -1.26 -1.84 117.98 119.23 2klm s PHE 65 Ca -0.10 -2.10 -0.16 0.00 -0.60 0.00 0.00 56.93 53.96 2klm s PHE 65 Cb -0.04 -1.94 -0.03 0.00 0.51 0.00 0.00 43.02 41.52 2klm s PHE 65 CO 0.04 -0.84 0.43 0.99 0.70 0.00 0.00 175.22 176.53 2klm s THR 66 N 1.28 5.15 -0.72 0.64 2.01 0.14 -4.93 115.64 119.21 2klm s THR 66 Ca -0.01 0.72 0.00 0.00 0.31 0.00 0.00 61.69 62.72 2klm s THR 66 Cb -0.19 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.57 2klm s THR 66 CO -0.09 0.17 0.00 2.22 -0.69 0.00 0.00 174.62 176.23 2klm n PHE 67 N 5.06 0.00 0.00 4.92 -1.74 -1.26 -1.56 117.46 122.87 2klm n PHE 67 Ca -0.07 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.82 2klm n PHE 67 Cb 0.51 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.51 2klm n PHE 67 CO 0.00 0.00 0.00 0.28 -0.56 0.00 0.00 176.76 176.48 2klm n VAL 68 N 1.30 0.00 0.00 1.97 0.31 -1.26 -5.09 118.33 115.56 2klm n VAL 68 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2klm n VAL 68 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2klm n VAL 68 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 2klm n THR 69 N -1.82 0.00 -3.78 2.52 5.66 -1.26 -5.04 114.28 110.55 2klm n THR 69 Ca 0.00 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.87 2klm n THR 69 Cb 0.00 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 68.69 2klm n THR 69 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 2klm s LYS 70 N 0.00 0.58 0.00 1.09 0.00 -1.26 -4.99 119.74 115.16 2klm s LYS 70 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 55.97 55.88 2klm s LYS 70 Cb 0.00 0.26 0.00 0.00 0.00 0.00 0.00 37.83 38.09 2klm s LYS 70 CO 0.00 -0.14 0.00 0.25 0.00 0.00 0.00 175.35 175.46 2klm n THR 71 N 1.65 0.00 -1.37 3.79 -2.24 -1.26 -5.13 114.28 109.72 2klm n THR 71 Ca -0.20 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.29 2klm n THR 71 Cb 0.56 0.00 0.15 0.00 -2.10 0.00 0.00 70.33 68.94 2klm n THR 71 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2klm s PRO 72 N -1.16 0.88 0.00 -0.78 0.04 -1.26 -5.01 135.00 127.71 2klm s PRO 72 Ca 0.00 0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.46 2klm s PRO 72 Cb 0.00 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.74 2klm s PRO 72 CO 0.00 -2.40 0.00 -2.30 0.04 0.00 0.00 177.00 172.34 2klm n PRO 73 N -3.93 2.61 -0.46 0.56 -0.02 -1.26 -3.70 135.00 128.80 2klm n PRO 73 Ca 0.06 0.00 0.37 0.00 -2.02 0.00 0.00 63.50 61.91 2klm n PRO 73 Cb 0.58 0.00 0.60 0.00 -0.02 0.00 0.00 33.50 34.66 2klm n PRO 73 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2klm n ALA 74 N -3.00 1.27 0.01 3.55 0.00 -1.26 0.63 120.51 121.72 2klm n ALA 74 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 53.44 54.10 2klm n ALA 74 Cb 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2klm n ALA 74 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2klm n SER 75 N -4.08 0.00 0.00 0.00 7.64 -1.26 -2.49 113.62 113.42 2klm n SER 75 Ca 0.34 0.02 0.00 0.00 1.01 0.00 0.00 58.87 60.25 2klm n SER 75 Cb 1.42 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.61 2klm n SER 75 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2klm n TYR 76 N -1.06 0.00 0.58 1.43 4.01 0.21 -1.87 117.16 120.45 2klm n TYR 76 Ca -0.00 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.80 2klm n TYR 76 Cb 0.51 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.53 2klm n TYR 76 CO 0.00 0.00 0.00 1.47 -0.46 0.00 0.00 176.86 177.87 2klm n LEU 77 N -0.69 1.31 -0.22 7.72 -0.00 -1.20 -4.45 117.00 119.47 2klm n LEU 77 Ca 0.00 -0.73 -0.07 0.00 -0.00 0.00 0.00 56.01 55.21 2klm n LEU 77 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 43.45 2klm n LEU 77 CO 0.00 0.26 1.00 0.40 -0.00 0.00 0.00 177.39 179.05 2klm h ILE 78 N 1.26 1.23 -0.93 1.47 1.08 -1.39 -2.01 117.51 118.22 2klm h ILE 78 Ca 0.00 -0.70 0.19 0.00 -0.39 0.00 0.00 64.86 63.96 2klm h ILE 78 Cb 0.42 0.54 -0.08 0.00 -3.07 0.00 0.00 36.82 34.63 2klm h ILE 78 CO 0.00 0.28 0.60 0.08 -0.69 0.00 0.00 178.15 178.42 2klm h ARG 79 N 0.86 0.53 0.06 2.37 0.11 -1.59 0.75 114.38 117.47 2klm h ARG 79 Ca 0.21 -0.03 -0.00 0.00 0.10 0.00 0.00 59.98 60.25 2klm h ARG 79 Cb 0.19 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 31.15 2klm h ARG 79 CO -0.02 0.35 -0.03 -0.22 0.10 0.00 0.00 179.97 180.16 2klm h LYS 80 N 0.55 -0.08 0.00 0.08 3.64 -1.68 -1.43 116.57 117.66 2klm h LYS 80 Ca 0.49 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.88 2klm h LYS 80 Cb 1.02 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 2klm h LYS 80 CO -0.23 -0.05 0.26 0.00 -2.27 0.00 0.00 179.45 177.16 2klm n ALA 81 N -2.23 0.65 -0.71 5.00 0.00 -0.80 -3.04 120.51 119.39 2klm n ALA 81 Ca -0.01 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2klm n ALA 81 Cb 0.03 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.68 2klm n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2klm n ALA 82 N -1.53 0.00 0.00 0.00 0.00 0.26 -4.23 120.51 115.01 2klm n ALA 82 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2klm n ALA 82 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 2klm n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2klm n GLY 83 N 2.28 0.86 3.47 0.00 0.00 -0.54 -4.15 105.19 107.11 2klm n GLY 83 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2klm n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2klm s LEU 84 N 0.00 4.60 -0.10 0.99 1.43 -1.21 -4.84 118.68 119.55 2klm s LEU 84 Ca 0.00 -0.73 -0.20 0.00 -1.03 0.00 0.00 54.13 52.17 2klm s LEU 84 Cb 0.00 -2.59 -0.28 0.00 0.03 0.00 0.00 46.19 43.36 2klm s LEU 84 CO 0.00 -1.08 0.68 1.05 0.23 0.00 0.00 176.35 177.23 2klm h GLU 85 N 9.17 0.22 -1.46 1.70 4.11 -1.99 -3.49 114.58 122.83 2klm h GLU 85 Ca -0.27 -0.37 0.23 0.00 0.07 0.00 0.00 59.36 59.02 2klm h GLU 85 Cb 1.08 0.14 -0.20 0.00 0.50 0.00 0.00 28.75 30.27 2klm h GLU 85 CO 1.04 1.18 0.79 -1.59 0.07 0.00 0.00 179.01 180.49 2klm s LYS 86 N -2.42 0.33 0.00 1.06 -2.85 -1.26 -5.17 119.74 109.43 2klm s LYS 86 Ca -0.18 -0.07 0.00 0.00 -1.00 0.00 0.00 55.97 54.71 2klm s LYS 86 Cb 0.02 0.15 0.00 0.00 -2.06 0.00 0.00 37.83 35.94 2klm s LYS 86 CO 0.77 -0.13 0.00 0.41 0.10 0.00 0.00 175.35 176.49 2klm n GLY 87 N 0.09 0.40 0.00 0.59 0.00 -1.26 -5.07 105.19 99.94 2klm n GLY 87 Ca -0.01 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.46 2klm n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2klm n ALA 88 N 0.81 0.00 -0.11 4.61 0.00 -1.26 -5.00 120.51 119.56 2klm n ALA 88 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 2klm n ALA 88 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2klm n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2klm h HIS 89 N 0.00 0.44 -1.88 0.00 3.86 -2.01 -3.46 115.15 112.10 2klm h HIS 89 Ca 0.00 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.26 2klm h HIS 89 Cb 0.01 -0.15 -0.20 0.00 1.06 0.00 0.00 27.41 28.13 2klm h HIS 89 CO 0.00 0.28 0.42 -1.59 0.86 0.00 0.00 177.93 177.89 2klm s LYS 90 N -6.16 0.80 0.49 2.45 -2.85 -1.26 -5.15 119.74 108.05 2klm s LYS 90 Ca -0.13 0.07 -0.22 0.00 -1.00 0.00 0.00 55.97 54.69 2klm s LYS 90 Cb 0.10 0.38 -0.09 0.00 -2.06 0.00 0.00 37.83 36.16 2klm s LYS 90 CO 0.72 -0.27 1.00 -2.30 0.10 0.00 0.00 175.35 174.59 2klm n PRO 91 N 0.57 1.23 -2.67 1.78 -0.02 -1.26 -4.94 135.00 129.69 2klm n PRO 91 Ca -0.13 0.45 -0.04 0.00 -2.02 0.00 0.00 63.50 61.77 2klm n PRO 91 Cb 0.59 -2.10 0.09 0.00 -0.02 0.00 0.00 33.50 32.06 2klm n PRO 91 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2klm n GLY 92 N 1.20 -1.21 0.00 -1.23 0.00 -1.26 -5.08 105.19 97.61 2klm n GLY 92 Ca 0.10 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.78 2klm n GLY 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2klm n ARG 93 N 0.30 0.00 0.04 1.61 3.00 -1.26 -5.11 116.66 115.24 2klm n ARG 93 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.76 2klm n ARG 93 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.20 2klm n ARG 93 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2klm n GLU 94 N -0.44 0.00 -3.82 -0.14 2.13 -1.26 -5.14 120.64 111.97 2klm n GLU 94 Ca 0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 2klm n GLU 94 Cb 0.00 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 31.57 2klm n GLU 94 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2klm s LYS 95 N -1.34 0.05 -0.02 5.31 1.02 -1.26 -5.16 119.74 118.34 2klm s LYS 95 Ca 0.00 0.14 -0.28 0.00 0.02 0.00 0.00 55.97 55.84 2klm s LYS 95 Cb 0.00 -0.04 0.06 0.00 -0.52 0.00 0.00 37.83 37.33 2klm s LYS 95 CO 0.00 -0.06 0.63 0.54 -0.92 0.00 0.00 175.35 175.54 2klm s VAL 96 N 0.36 0.01 -0.02 3.17 0.11 -1.26 -5.06 120.40 117.70 2klm s VAL 96 Ca -0.03 -0.06 -0.01 0.00 -2.93 0.00 0.00 61.98 58.96 2klm s VAL 96 Cb -0.04 -0.97 0.00 0.00 -1.53 0.00 0.00 36.38 33.84 2klm s VAL 96 CO -0.01 -0.03 0.02 0.61 -3.33 0.00 0.00 175.10 172.35 2klm n GLY 97 N 0.79 -1.66 2.62 6.54 0.00 -1.26 -4.55 105.19 107.65 2klm n GLY 97 Ca -0.19 -0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 2klm n GLY 97 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2klm s ARG 98 N -0.66 0.19 0.25 1.61 3.52 -1.24 -1.68 118.95 120.94 2klm s ARG 98 Ca 0.01 -0.29 0.07 0.00 -0.13 0.00 0.00 55.73 55.39 2klm s ARG 98 Cb -0.00 -1.21 -0.04 0.00 -1.56 0.00 0.00 34.95 32.14 2klm s ARG 98 CO 0.04 -0.91 0.18 0.96 -0.81 0.00 0.00 175.30 174.76 2klm s ILE 99 N 2.18 4.35 0.22 4.11 -4.36 -1.15 -4.61 121.20 121.94 2klm s ILE 99 Ca 0.07 -1.45 -0.06 0.00 -0.26 0.00 0.00 60.65 58.96 2klm s ILE 99 Cb -0.16 -3.35 -0.06 0.00 1.25 0.00 0.00 42.46 40.15 2klm s ILE 99 CO -0.28 -0.35 0.48 0.42 0.24 0.00 0.00 174.94 175.45 2klm s THR 100 N -2.15 5.06 0.08 8.37 -4.23 -1.26 -1.16 115.64 120.35 2klm s THR 100 Ca 0.33 0.11 -0.25 0.00 -1.18 0.00 0.00 61.69 60.70 2klm s THR 100 Cb -0.08 -3.67 -0.16 0.00 1.34 0.00 0.00 72.50 69.94 2klm s THR 100 CO 0.24 -0.13 1.70 -0.25 -0.54 0.00 0.00 174.62 175.64 2klm h TRP 101 N 2.29 -0.16 -0.82 3.99 2.91 -1.92 -2.22 115.95 120.02 2klm h TRP 101 Ca -0.47 -0.00 0.01 0.00 1.13 0.00 0.00 58.89 59.56 2klm h TRP 101 Cb 1.18 0.05 -0.04 0.00 -0.51 0.00 0.00 29.16 29.84 2klm h TRP 101 CO 0.59 -0.08 0.54 1.49 -1.03 0.00 0.00 178.44 179.95 2klm h GLU 102 N -0.19 1.07 -0.55 2.65 4.57 -1.99 -2.07 114.58 118.08 2klm h GLU 102 Ca -0.02 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 2klm h GLU 102 Cb 0.14 -0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 28.47 2klm h GLU 102 CO 0.03 0.70 0.35 1.96 -1.18 0.00 0.00 179.01 180.88 2klm h GLN 103 N 1.10 0.73 -0.31 1.92 4.20 -1.93 -0.58 115.11 120.24 2klm h GLN 103 Ca 0.30 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.93 2klm h GLN 103 Cb -0.11 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.49 2klm h GLN 103 CO -0.07 0.49 0.04 -0.39 -0.67 0.00 0.00 178.83 178.23 2klm h VAL 104 N 0.74 1.16 0.00 -0.54 -1.51 -1.07 0.93 116.25 115.96 2klm h VAL 104 Ca 0.20 -0.61 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 2klm h VAL 104 Cb -0.07 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 29.98 2klm h VAL 104 CO -0.04 0.21 0.00 0.18 -1.23 0.00 0.00 177.57 176.69 2klm n LEU 105 N -4.34 0.05 -0.26 4.19 4.77 -0.41 -0.33 117.00 120.68 2klm n LEU 105 Ca 0.01 0.85 -0.07 0.00 -0.03 0.00 0.00 56.01 56.77 2klm n LEU 105 Cb 0.20 -0.39 -0.02 0.00 -2.33 0.00 0.00 43.42 40.87 2klm n LEU 105 CO 0.38 -0.39 0.57 -0.08 -1.33 0.00 0.00 177.39 176.54 2klm h GLU 106 N 0.00 -0.16 -0.53 3.23 4.81 -1.13 2.39 114.58 123.20 2klm h GLU 106 Ca 0.00 0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.40 2klm h GLU 106 Cb 0.00 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 2klm h GLU 106 CO 0.00 -0.10 0.59 0.82 -0.73 0.00 0.00 179.01 179.58 2klm h ILE 107 N -0.16 0.30 0.08 2.32 2.04 -0.81 0.40 117.51 121.67 2klm h ILE 107 Ca 0.21 0.00 -0.29 0.00 1.00 0.00 0.00 64.86 65.78 2klm h ILE 107 Cb 0.55 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 2klm h ILE 107 CO -0.76 0.00 -1.57 0.00 0.00 0.00 0.00 178.15 175.82 2klm h ALA 108 N 1.33 0.30 -0.10 1.87 0.00 0.66 -3.17 119.26 120.14 2klm h ALA 108 Ca 0.25 -1.24 0.01 0.00 0.00 0.00 0.00 54.91 53.93 2klm h ALA 108 Cb 1.43 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 19.85 2klm h ALA 108 CO -0.00 0.96 -0.10 0.87 0.00 0.00 0.00 179.25 180.98 2klm h LYS 109 N -0.41 -0.04 0.27 0.00 1.57 0.31 -3.02 116.57 115.24 2klm h LYS 109 Ca -0.36 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.41 2klm h LYS 109 Cb 1.70 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 34.01 2klm h LYS 109 CO -0.03 -0.03 -0.18 -0.56 -0.57 0.00 0.00 179.45 178.08 2klm h GLN 110 N -0.04 -0.41 -5.08 3.15 -0.00 -1.70 -3.37 115.11 107.65 2klm h GLN 110 Ca 0.02 0.03 -0.13 0.00 -0.00 0.00 0.00 58.65 58.56 2klm h GLN 110 Cb 0.09 0.09 -0.04 0.00 -0.00 0.00 0.00 27.48 27.62 2klm h GLN 110 CO -0.12 -0.28 1.02 1.63 -0.00 0.00 0.00 178.83 181.08 2klm n LYS 111 N -3.40 0.13 -2.71 0.06 4.76 -1.14 -4.50 118.16 111.36 2klm n LYS 111 Ca -0.05 -0.44 -0.08 0.00 -2.87 0.00 0.00 58.31 54.87 2klm n LYS 111 Cb 0.18 -2.01 0.10 0.00 -1.84 0.00 0.00 35.03 31.47 2klm n LYS 111 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2klm n MET 112 N 6.30 1.17 0.06 1.97 2.81 -1.26 -4.77 117.12 123.40 2klm n MET 112 Ca 0.41 -2.01 -0.01 0.00 -1.81 0.00 0.00 57.70 54.27 2klm n MET 112 Cb 0.35 -0.31 0.28 0.00 -0.71 0.00 0.00 33.22 32.83 2klm n MET 112 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 2klm h PRO 113 N 2.24 0.37 0.00 0.03 0.13 -1.95 -3.46 132.00 129.36 2klm h PRO 113 Ca -0.23 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2klm h PRO 113 Cb 1.26 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2klm h PRO 113 CO 0.02 0.55 0.00 -0.25 -0.23 0.00 0.00 178.00 178.10 2klm n ASP 114 N -4.18 0.00 -0.18 1.44 8.00 -1.26 -5.16 116.55 115.21 2klm n ASP 114 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2klm n ASP 114 Cb 0.35 0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 2klm n ASP 114 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2klm n LEU 115 N -1.30 0.00 -1.48 0.64 7.99 -1.26 -4.32 117.00 117.27 2klm n LEU 115 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 56.01 55.91 2klm n LEU 115 Cb 0.00 0.00 0.10 0.00 -0.11 0.00 0.00 43.42 43.41 2klm n LEU 115 CO 0.00 -0.28 0.24 -3.20 -1.51 0.00 0.00 177.39 172.63 2klm n ASN 116 N -3.80 3.29 -4.27 -1.43 4.05 -1.26 -5.05 115.26 106.78 2klm n ASN 116 Ca 0.00 -3.64 -0.15 0.00 0.45 0.00 0.00 54.58 51.24 2klm n ASN 116 Cb 0.00 -0.42 -0.10 0.00 1.23 0.00 0.00 39.78 40.49 2klm n ASN 116 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 2klm s THR 117 N -3.81 0.46 0.00 -0.44 -4.23 -1.26 -4.98 115.64 101.38 2klm s THR 117 Ca 0.44 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 2klm s THR 117 Cb 0.39 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.77 2klm s THR 117 CO -0.02 -0.14 0.00 1.07 -0.54 0.00 0.00 174.62 174.99 2klm n THR 118 N -0.36 0.00 -0.67 3.99 5.66 -1.26 -4.92 114.28 116.72 2klm n THR 118 Ca -0.01 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.67 2klm n THR 118 Cb 0.65 -0.01 0.17 0.00 -1.55 0.00 0.00 70.33 69.59 2klm n THR 118 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2klm n ASP 119 N -0.45 -1.58 -0.31 1.09 8.00 -1.26 -4.68 116.55 117.36 2klm n ASP 119 Ca 0.00 0.14 -0.04 0.00 0.71 0.00 0.00 54.79 55.59 2klm n ASP 119 Cb 0.00 -1.21 0.08 0.00 -0.02 0.00 0.00 41.12 39.97 2klm n ASP 119 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2klm h LEU 120 N -1.99 1.07 -0.69 0.64 -0.00 -1.99 -2.57 115.31 109.78 2klm h LEU 120 Ca -0.50 -0.10 0.14 0.00 -0.00 0.00 0.00 57.88 57.42 2klm h LEU 120 Cb 1.31 -0.27 -0.10 0.00 -0.00 0.00 0.00 40.66 41.60 2klm h LEU 120 CO 0.40 0.86 0.16 -0.33 -0.00 0.00 0.00 178.44 179.53 2klm h GLU 121 N 1.19 0.27 0.21 1.13 5.08 -1.97 3.22 114.58 123.71 2klm h GLU 121 Ca 0.30 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 2klm h GLU 121 Cb 0.04 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2klm h GLU 121 CO -0.05 0.18 -0.10 0.00 -1.00 0.00 0.00 179.01 178.04 2klm h ALA 122 N 1.56 -0.64 -0.64 3.43 0.00 -1.80 -1.35 119.26 119.82 2klm h ALA 122 Ca 0.38 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.36 2klm h ALA 122 Cb 0.61 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 18.40 2klm h ALA 122 CO -0.47 -0.62 0.01 0.00 0.00 0.00 0.00 179.25 178.17 2klm h ALA 123 N -1.70 0.64 -0.97 0.00 0.00 -1.24 0.16 119.26 116.14 2klm h ALA 123 Ca -0.03 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2klm h ALA 123 Cb 0.22 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2klm h ALA 123 CO 0.05 -0.39 0.00 0.00 0.00 0.00 0.00 179.25 178.91 2klm n ALA 124 N -2.81 -0.12 -0.39 0.00 0.00 1.07 -0.20 120.51 118.05 2klm n ALA 124 Ca 0.10 0.00 0.33 0.00 0.00 0.00 0.00 53.44 53.87 2klm n ALA 124 Cb 0.37 0.27 0.60 0.00 0.00 0.00 0.00 19.45 20.70 2klm n ALA 124 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2klm h ARG 125 N 0.00 0.11 0.00 0.00 2.43 -0.66 0.26 114.38 116.52 2klm h ARG 125 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2klm h ARG 125 Cb 0.00 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 2klm h ARG 125 CO 0.00 0.07 0.00 -0.12 -1.51 0.00 0.00 179.97 178.41 2klm n MET 126 N -4.89 0.00 -0.08 0.20 1.56 0.72 0.38 117.12 115.01 2klm n MET 126 Ca 0.36 0.45 -0.07 0.00 -0.27 0.00 0.00 57.70 58.18 2klm n MET 126 Cb 1.31 -1.33 -0.00 0.00 2.15 0.00 0.00 33.22 35.35 2klm n MET 126 CO 0.00 0.00 0.00 0.82 -0.73 0.00 0.00 175.97 176.06 2klm h ILE 127 N 0.00 0.49 0.00 1.12 2.04 0.10 2.34 117.51 123.60 2klm h ILE 127 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2klm h ILE 127 Cb 0.00 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 2klm h ILE 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.15 2klm n ALA 128 N -2.76 -0.43 -0.33 1.87 0.00 0.74 -0.14 120.51 119.46 2klm n ALA 128 Ca 0.00 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.69 2klm n ALA 128 Cb 0.26 0.00 0.46 0.00 0.00 0.00 0.00 19.45 20.17 2klm n ALA 128 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2klm h GLY 129 N 0.00 1.86 0.75 0.00 0.00 0.71 2.79 103.07 109.18 2klm h GLY 129 Ca 0.00 -0.06 0.04 0.00 0.00 0.00 0.00 47.33 47.31 2klm h GLY 129 CO 0.00 -0.64 0.23 1.76 0.00 0.00 0.00 176.54 177.89 2klm h SER 130 N 0.06 0.33 -0.42 0.19 0.02 0.42 -0.10 113.55 114.06 2klm h SER 130 Ca 0.73 0.03 0.08 0.00 -0.84 0.00 0.00 61.79 61.79 2klm h SER 130 Cb 1.77 -0.04 -0.08 0.00 0.14 0.00 0.00 62.40 64.19 2klm h SER 130 CO -0.79 0.24 -0.12 0.00 -1.14 0.00 0.00 176.83 175.02 2klm h ALA 131 N 1.25 0.25 -1.00 3.77 0.00 0.83 2.02 119.26 126.38 2klm h ALA 131 Ca 0.20 0.16 0.25 0.00 0.00 0.00 0.00 54.91 55.52 2klm h ALA 131 Cb 0.11 0.35 -0.09 0.00 0.00 0.00 0.00 17.79 18.16 2klm h ALA 131 CO -0.14 -0.47 0.65 -0.09 0.00 0.00 0.00 179.25 179.20 2klm h ARG 132 N -0.02 0.40 0.00 0.00 1.12 0.36 1.25 114.38 117.49 2klm h ARG 132 Ca 0.20 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 59.05 2klm h ARG 132 Cb 0.33 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 30.20 2klm h ARG 132 CO -0.44 0.26 0.00 0.45 -3.11 0.00 0.00 179.97 177.13 2klm n SER 133 N -4.59 0.00 0.00 -3.80 2.88 0.65 -1.69 113.62 107.08 2klm n SER 133 Ca 0.23 0.86 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 2klm n SER 133 Cb 0.82 -0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 2klm n SER 133 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2klm n MET 134 N -1.83 0.00 -1.68 -1.46 2.81 0.67 -4.65 117.12 110.98 2klm n MET 134 Ca 0.00 0.12 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 2klm n MET 134 Cb 0.00 -1.69 0.00 0.00 -0.71 0.00 0.00 33.22 30.82 2klm n MET 134 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2klm n GLY 135 N -1.00 0.71 3.14 3.03 0.00 0.28 -5.05 105.19 106.31 2klm n GLY 135 Ca 0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 2klm n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2klm s VAL 136 N -2.97 0.39 0.13 1.61 1.01 0.36 -4.80 120.40 116.12 2klm s VAL 136 Ca 0.00 -1.89 0.04 0.00 0.00 0.00 0.00 61.98 60.13 2klm s VAL 136 Cb 0.00 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 2klm s VAL 136 CO 0.00 -0.78 -0.09 -1.61 0.00 0.00 0.00 175.10 172.62 2klm s GLU 137 N -3.92 0.97 0.20 2.72 2.02 -0.68 -1.86 118.70 118.15 2klm s GLU 137 Ca 0.14 -1.38 0.03 0.00 0.02 0.00 0.00 54.97 53.79 2klm s GLU 137 Cb 0.07 -0.49 -0.03 0.00 0.10 0.00 0.00 34.13 33.78 2klm s GLU 137 CO -0.04 0.05 0.33 0.08 0.02 0.00 0.00 175.26 175.70 2klm s VAL 138 N -3.29 5.28 -1.82 2.63 1.01 -1.26 -2.93 120.40 120.02 2klm s VAL 138 Ca 0.14 -0.76 0.29 0.00 0.00 0.00 0.00 61.98 61.65 2klm s VAL 138 Cb 0.03 -3.79 0.54 0.00 0.00 0.00 0.00 36.38 33.16 2klm s VAL 138 CO -0.01 -0.21 1.91 0.55 0.00 0.00 0.00 175.10 177.34 2klm n VAL 139 N -0.93 0.00 -3.65 2.92 3.14 -0.31 -4.52 118.33 114.98 2klm n VAL 139 Ca -0.07 -0.07 -0.29 0.00 -2.96 0.00 0.00 64.34 60.94 2klm n VAL 139 Cb 0.55 -0.09 -0.14 0.00 -1.06 0.00 0.00 33.84 33.11 2klm n VAL 139 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2klm s GLY 140 N -2.33 1.17 -0.46 7.55 0.00 -1.26 -4.94 107.32 107.05 2klm s GLY 140 Ca 0.33 -1.97 0.07 0.00 0.00 0.00 0.00 44.72 43.15 2klm s GLY 140 CO 0.44 1.74 0.83 0.00 0.00 0.00 0.00 173.10 176.11 2klm n ALA 141 N 4.27 -0.28 -1.74 3.20 0.00 -1.26 -4.85 120.51 119.85 2klm n ALA 141 Ca 0.04 -1.97 -0.39 0.00 0.00 0.00 0.00 53.44 51.13 2klm n ALA 141 Cb 0.38 -1.17 0.03 0.00 0.00 0.00 0.00 19.45 18.70 2klm n ALA 141 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2klm n PRO 142 N 1.33 1.83 -0.73 0.00 -0.02 -1.26 -4.93 135.00 131.22 2klm n PRO 142 Ca 0.12 0.66 -0.02 0.00 -2.02 0.00 0.00 63.50 62.25 2klm n PRO 142 Cb 0.62 -2.56 -0.02 0.00 -0.02 0.00 0.00 33.50 31.52 2klm n PRO 142 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2klm n GLU 143 N -0.71 0.00 -4.49 -0.52 0.00 -1.26 -5.03 120.64 108.62 2klm n GLU 143 Ca 0.09 -0.59 -0.23 0.00 0.00 0.00 0.00 57.16 56.43 2klm n GLU 143 Cb 0.43 0.08 -0.16 0.00 0.00 0.00 0.00 31.44 31.79 2klm n GLU 143 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2klm s VAL 144 N 0.00 0.99 0.00 6.31 1.01 -1.26 -5.08 120.40 122.37 2klm s VAL 144 Ca 0.03 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.60 2klm s VAL 144 Cb 0.03 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.50 2klm s VAL 144 CO -0.01 0.32 0.00 0.29 0.00 0.00 0.00 175.10 175.70 2klm n LYS 145 N 3.78 0.00 -2.65 2.72 5.02 -1.26 -4.16 118.16 121.61 2klm n LYS 145 Ca -0.23 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.63 2klm n LYS 145 Cb 0.52 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.51 2klm n LYS 145 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2klm s ASP 146 N -4.00 6.75 0.00 4.39 -4.77 -1.26 -5.16 116.67 112.62 2klm s ASP 146 Ca 0.00 0.69 0.28 0.00 -3.30 0.00 0.00 52.55 50.22 2klm s ASP 146 Cb 0.00 -2.53 0.94 0.00 -1.09 0.00 0.00 42.92 40.24 2klm s ASP 146 CO 0.00 -1.06 1.68 0.00 0.70 0.00 0.00 175.17 176.49