#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 4.46 0.20 2.12 -2.85 -1.26 -5.03 119.74 117.38 2klm s LYS 2 Ca 0.00 2.06 -0.06 0.00 -1.00 0.00 0.00 55.97 56.97 2klm s LYS 2 Cb 0.00 -3.12 -0.02 0.00 -2.06 0.00 0.00 37.83 32.63 2klm s LYS 2 CO 0.00 -0.05 0.26 0.21 0.10 0.00 0.00 175.35 175.88 2klm s LYS 3 N -1.60 1.28 0.05 1.78 2.20 -1.26 -5.04 119.74 117.14 2klm s LYS 3 Ca 0.48 -1.40 -0.32 0.00 -0.36 0.00 0.00 55.97 54.37 2klm s LYS 3 Cb -0.37 0.35 -0.11 0.00 -1.51 0.00 0.00 37.83 36.20 2klm s LYS 3 CO 0.48 -0.46 1.86 1.55 -0.36 0.00 0.00 175.35 178.41 2klm n VAL 4 N -0.28 0.49 -0.01 4.02 3.14 -1.26 -3.37 118.33 121.05 2klm n VAL 4 Ca -0.02 -0.09 0.01 0.00 -2.96 0.00 0.00 64.34 61.28 2klm n VAL 4 Cb 0.64 -2.04 -0.05 0.00 -1.06 0.00 0.00 33.84 31.33 2klm n VAL 4 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 2klm n VAL 5 N 4.90 0.16 -3.74 1.55 0.31 -0.61 -4.92 118.33 115.98 2klm n VAL 5 Ca 0.20 -0.18 -0.13 0.00 -0.01 0.00 0.00 64.34 64.21 2klm n VAL 5 Cb 0.35 -0.13 -0.14 0.00 -0.91 0.00 0.00 33.84 33.01 2klm n VAL 5 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2klm s ALA 6 N -2.31 -0.41 -0.31 3.52 0.00 -0.51 -5.01 121.76 116.73 2klm s ALA 6 Ca -0.02 0.84 0.04 0.00 0.00 0.00 0.00 51.96 52.81 2klm s ALA 6 Cb 0.03 -0.55 0.09 0.00 0.00 0.00 0.00 23.12 22.69 2klm s ALA 6 CO 0.25 -0.18 -0.01 0.08 0.00 0.00 0.00 175.76 175.90 2klm s VAL 7 N 1.22 2.25 -0.90 0.00 1.01 -1.26 0.14 120.40 122.85 2klm s VAL 7 Ca -0.09 -2.09 -0.24 0.00 0.00 0.00 0.00 61.98 59.56 2klm s VAL 7 Cb -0.11 -2.55 0.05 0.00 0.00 0.00 0.00 36.38 33.77 2klm s VAL 7 CO -0.07 -0.40 1.34 -0.69 0.00 0.00 0.00 175.10 175.28 2klm s VAL 8 N 0.97 3.95 -0.41 2.92 1.01 -0.51 -4.81 120.40 123.52 2klm s VAL 8 Ca 0.04 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.29 2klm s VAL 8 Cb -0.19 -4.97 0.01 0.00 0.00 0.00 0.00 36.38 31.23 2klm s VAL 8 CO -0.07 -1.85 1.35 -0.75 0.00 0.00 0.00 175.10 173.78 2klm s LYS 9 N 4.97 3.65 0.04 2.72 2.20 -1.26 -1.76 119.74 130.30 2klm s LYS 9 Ca 0.40 0.91 -0.06 0.00 -0.36 0.00 0.00 55.97 56.87 2klm s LYS 9 Cb -0.04 -3.98 0.02 0.00 -1.51 0.00 0.00 37.83 32.32 2klm s LYS 9 CO -0.01 -1.47 0.28 1.47 -0.36 0.00 0.00 175.35 175.26 2klm n LEU 10 N 8.48 0.00 -4.84 5.43 -0.00 -0.69 -5.03 117.00 120.34 2klm n LEU 10 Ca 0.15 -0.34 -0.23 0.00 -0.00 0.00 0.00 56.01 55.59 2klm n LEU 10 Cb 0.48 0.70 -0.04 0.00 -0.00 0.00 0.00 43.42 44.56 2klm n LEU 10 CO 0.70 -0.11 -0.03 -1.10 -0.00 0.00 0.00 177.39 176.84 2klm s GLN 11 N -2.01 2.38 -0.05 1.47 1.11 -1.26 -1.07 119.66 120.23 2klm s GLN 11 Ca 0.06 -1.74 -0.03 0.00 0.01 0.00 0.00 55.36 53.66 2klm s GLN 11 Cb -0.01 -2.20 0.02 0.00 -1.01 0.00 0.00 33.01 29.82 2klm s GLN 11 CO 0.01 -0.27 0.12 -0.51 0.01 0.00 0.00 175.29 174.65 2klm s LEU 12 N -4.10 1.24 0.57 2.90 1.43 -0.28 -4.81 118.68 115.64 2klm s LEU 12 Ca 0.43 0.25 -0.09 0.00 -1.03 0.00 0.00 54.13 53.68 2klm s LEU 12 Cb -0.01 0.36 -0.04 0.00 0.03 0.00 0.00 46.19 46.53 2klm s LEU 12 CO 0.25 -0.08 0.95 -2.16 0.23 0.00 0.00 176.35 175.53 2klm s PRO 13 N 0.50 3.59 0.01 1.29 0.04 -1.26 -1.80 135.00 137.36 2klm s PRO 13 Ca -0.04 0.57 0.08 0.00 0.04 0.00 0.00 61.00 61.65 2klm s PRO 13 Cb -0.05 -2.18 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 2klm s PRO 13 CO -0.02 -0.44 -0.23 0.00 0.04 0.00 0.00 177.00 176.35 2klm s ALA 14 N -3.02 2.36 -1.34 8.56 0.00 -0.03 -4.59 121.76 123.69 2klm s ALA 14 Ca 0.52 -1.17 -0.08 0.00 0.00 0.00 0.00 51.96 51.23 2klm s ALA 14 Cb -0.11 -0.62 0.06 0.00 0.00 0.00 0.00 23.12 22.45 2klm s ALA 14 CO 0.50 0.54 0.52 0.41 0.00 0.00 0.00 175.76 177.74 2klm n GLY 15 N 2.01 -0.49 2.66 0.00 0.00 -1.26 -1.99 105.19 106.12 2klm n GLY 15 Ca -0.16 0.10 -0.03 0.00 0.00 0.00 0.00 46.02 45.93 2klm n GLY 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2klm n LYS 16 N -3.81 0.14 -4.18 1.61 3.00 -1.26 -4.86 118.16 108.79 2klm n LYS 16 Ca -0.03 -0.69 -0.14 0.00 -0.00 0.00 0.00 58.31 57.45 2klm n LYS 16 Cb 0.56 -0.12 -0.11 0.00 0.00 0.00 0.00 35.03 35.36 2klm n LYS 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2klm s ALA 17 N 0.03 1.14 0.12 3.14 0.00 -1.26 -4.59 121.76 120.35 2klm s ALA 17 Ca 0.19 -1.24 -0.26 0.00 0.00 0.00 0.00 51.96 50.65 2klm s ALA 17 Cb 0.27 0.04 0.07 0.00 0.00 0.00 0.00 23.12 23.51 2klm s ALA 17 CO -0.19 -0.06 0.99 0.95 0.00 0.00 0.00 175.76 177.45 2klm s THR 18 N -2.64 0.00 0.00 0.00 -4.23 -1.26 -5.00 115.64 102.51 2klm s THR 18 Ca 0.07 -0.56 0.00 0.00 -1.18 0.00 0.00 61.69 60.03 2klm s THR 18 Cb -0.02 -1.90 0.00 0.00 1.34 0.00 0.00 72.50 71.92 2klm s THR 18 CO -0.00 0.00 0.18 -2.65 -0.54 0.00 0.00 174.62 171.60 2klm n PRO 19 N -0.45 0.09 -2.77 3.99 -0.02 -1.26 -3.38 135.00 131.21 2klm n PRO 19 Ca -0.06 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.32 2klm n PRO 19 Cb 0.61 -1.45 0.05 0.00 -0.02 0.00 0.00 33.50 32.68 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 1.87 2.24 -1.87 3.55 0.00 -1.26 -5.04 120.51 120.00 2klm n ALA 20 Ca 0.00 -2.55 -0.30 0.00 0.00 0.00 0.00 53.44 50.60 2klm n ALA 20 Cb 0.05 -0.97 0.06 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.84 2.54 0.54 0.00 0.04 -1.22 -4.94 135.00 130.12 2klm s PRO 21 Ca 0.27 0.36 0.21 0.00 0.04 0.00 0.00 61.00 61.88 2klm s PRO 21 Cb 0.41 -1.99 1.39 0.00 0.04 0.00 0.00 34.50 34.34 2klm s PRO 21 CO -0.02 -1.24 2.11 -1.00 0.04 0.00 0.00 177.00 176.88 2klm h PRO 22 N -0.80 0.00 0.00 0.56 0.13 -1.97 -3.05 132.00 126.86 2klm h PRO 22 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2klm h PRO 22 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2klm h PRO 22 CO 0.64 0.00 -0.02 0.28 -0.23 0.00 0.00 178.00 178.67 2klm h VAL 23 N 0.00 0.00 0.00 1.56 2.07 -1.98 -3.46 116.25 114.43 2klm h VAL 23 Ca 0.08 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.95 2klm h VAL 23 Cb 0.35 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 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 1.84 0.59 0.44 2.17 0.00 -1.16 -1.13 105.19 107.95 2klm n GLY 24 Ca -0.00 0.80 -0.14 0.00 0.00 0.00 0.00 46.02 46.68 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 -0.47 0.00 1.61 0.11 -1.89 4.23 132.00 135.59 2klm h PRO 25 Ca 0.00 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2klm h PRO 25 Cb 0.00 0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.22 2klm h PRO 25 CO 0.00 -0.32 0.63 0.00 -0.21 0.00 0.00 178.00 178.10 2klm h ALA 26 N -0.27 1.48 0.00 -0.75 0.00 -1.48 0.10 119.26 118.35 2klm h ALA 26 Ca 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2klm h ALA 26 Cb 0.62 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2klm h ALA 26 CO -0.47 -0.48 -1.16 -0.11 0.00 0.00 0.00 179.25 177.03 2klm n LEU 27 N -2.04 2.47 0.06 0.00 0.00 0.19 -4.77 117.00 112.90 2klm n LEU 27 Ca -0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 56.01 55.88 2klm n LEU 27 Cb 0.64 -0.07 -0.05 0.00 0.00 0.00 0.00 43.42 43.94 2klm n LEU 27 CO 0.03 0.46 0.77 1.23 0.00 0.00 0.00 177.39 179.88 2klm h GLY 28 N 0.26 -0.17 -3.39 -3.96 0.00 1.04 -2.06 103.07 94.77 2klm h GLY 28 Ca -0.06 0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 2klm h GLY 28 CO -0.01 -0.14 -0.05 -1.06 0.00 0.00 0.00 176.54 175.29 2klm n GLN 29 N -5.27 1.01 -0.04 4.80 6.02 -0.58 -3.43 117.38 119.89 2klm n GLN 29 Ca -0.05 -0.18 -0.09 0.00 -0.01 0.00 0.00 57.00 56.66 2klm n GLN 29 Cb 0.19 -1.27 -0.14 0.00 1.02 0.00 0.00 30.24 30.03 2klm n GLN 29 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 2klm n HIS 30 N 1.81 0.79 0.00 1.08 1.44 -0.78 -5.00 115.22 114.56 2klm n HIS 30 Ca 0.08 0.28 0.00 0.00 -2.01 0.00 0.00 57.72 56.07 2klm n HIS 30 Cb 0.49 -1.14 0.00 0.00 0.12 0.00 0.00 29.99 29.45 2klm n HIS 30 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2klm n GLY 31 N 1.61 3.11 0.00 -1.39 0.00 -1.22 -5.03 105.19 102.27 2klm n GLY 31 Ca -0.21 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 0.00 0.00 -3.71 4.61 0.00 -1.26 -4.99 120.51 115.16 2klm n ALA 32 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 2klm n ALA 32 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 2klm n ALA 32 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2klm s ASN 33 N -2.43 0.90 0.00 0.00 -0.87 -1.26 -5.07 114.94 106.21 2klm s ASN 33 Ca 0.00 0.02 0.00 0.00 -1.57 0.00 0.00 52.86 51.31 2klm s ASN 33 Cb 0.00 -0.20 0.00 0.00 -0.02 0.00 0.00 41.25 41.03 2klm s ASN 33 CO 0.00 -0.19 0.77 -0.38 -2.57 0.00 0.00 177.10 174.73 2klm n ILE 34 N 4.84 0.00 -0.32 0.60 2.08 -1.26 -1.30 119.36 123.99 2klm n ILE 34 Ca -0.13 1.25 0.23 0.00 0.56 0.00 0.00 62.75 64.66 2klm n ILE 34 Cb 0.50 -2.22 0.43 0.00 -0.75 0.00 0.00 39.64 37.60 2klm n ILE 34 CO 0.00 0.00 0.00 0.23 0.56 0.00 0.00 176.55 177.34 2klm n MET 35 N -1.74 -0.07 -0.08 0.38 2.81 -1.26 0.28 117.12 117.45 2klm n MET 35 Ca 0.00 1.40 -0.07 0.00 -1.81 0.00 0.00 57.70 57.21 2klm n MET 35 Cb 0.00 -2.36 -0.00 0.00 -0.71 0.00 0.00 33.22 30.14 2klm n MET 35 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 2klm h GLU 36 N 0.00 0.20 0.00 0.03 4.57 -1.96 2.34 114.58 119.77 2klm h GLU 36 Ca 0.71 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.88 2klm h GLU 36 Cb 1.71 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 30.25 2klm h GLU 36 CO -0.83 0.13 -0.13 0.35 -1.18 0.00 0.00 179.01 177.36 2klm h PHE 37 N 0.21 -0.37 -0.79 0.92 3.04 0.55 -0.99 116.94 119.51 2klm h PHE 37 Ca 0.13 0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.15 2klm h PHE 37 Cb 0.11 0.16 -0.06 0.00 2.56 0.00 0.00 35.95 38.72 2klm h PHE 37 CO -0.14 -0.14 0.48 0.28 -2.02 0.00 0.00 178.31 176.77 2klm h VAL 38 N -0.16 1.01 -0.12 1.41 2.07 -0.94 -1.94 116.25 117.58 2klm h VAL 38 Ca 0.00 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.25 2klm h VAL 38 Cb 0.17 0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 29.95 2klm h VAL 38 CO -0.08 0.16 -0.51 0.50 0.02 0.00 0.00 177.57 177.66 2klm h LYS 39 N 0.87 -0.53 -0.89 1.57 3.64 0.43 1.87 116.57 123.53 2klm h LYS 39 Ca 0.35 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.82 2klm h LYS 39 Cb 0.19 0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.06 2klm h LYS 39 CO -0.18 -0.35 0.56 0.00 -2.27 0.00 0.00 179.45 177.21 2klm h ALA 40 N -0.38 1.22 -1.80 5.00 0.00 -0.83 1.04 119.26 123.50 2klm h ALA 40 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2klm h ALA 40 Cb 0.64 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2klm h ALA 40 CO -0.41 0.34 0.00 1.19 0.00 0.00 0.00 179.25 180.37 2klm n PHE 41 N -4.58 0.00 -0.33 0.00 3.72 -0.44 -1.21 117.46 114.62 2klm n PHE 41 Ca 0.13 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.68 2klm n PHE 41 Cb 0.16 -0.20 0.29 0.00 -0.94 0.00 0.00 39.48 38.79 2klm n PHE 41 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2klm n ASN 42 N -1.10 -0.10 -0.12 4.37 2.85 0.62 0.15 115.26 121.93 2klm n ASN 42 Ca 0.00 1.64 0.07 0.00 -0.11 0.00 0.00 54.58 56.18 2klm n ASN 42 Cb 0.00 -0.60 0.40 0.00 1.24 0.00 0.00 39.78 40.82 2klm n ASN 42 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2klm h ALA 43 N 1.93 1.77 0.09 5.20 0.00 0.11 1.66 119.26 130.03 2klm h ALA 43 Ca 0.59 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 55.20 2klm h ALA 43 Cb 1.24 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2klm h ALA 43 CO -0.90 0.13 -1.51 0.00 0.00 0.00 0.00 179.25 176.96 2klm h ALA 44 N 1.65 0.27 0.00 0.00 0.00 0.29 -0.98 119.26 120.49 2klm h ALA 44 Ca 0.27 -1.19 -0.01 0.00 0.00 0.00 0.00 54.91 53.98 2klm h ALA 44 Cb 0.26 0.60 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 2klm h ALA 44 CO -0.08 0.92 -0.03 1.79 0.00 0.00 0.00 179.25 181.84 2klm h THR 45 N -0.39 0.13 0.06 0.00 1.35 0.15 -0.19 112.91 114.02 2klm h THR 45 Ca -0.34 -0.33 -0.30 0.00 -0.55 0.00 0.00 66.41 64.88 2klm h THR 45 Cb 1.71 1.29 -0.03 0.00 -1.73 0.00 0.00 68.15 69.38 2klm h THR 45 CO -0.00 0.03 -1.67 0.00 -0.25 0.00 0.00 175.52 173.63 2klm h ALA 46 N 1.97 0.54 0.00 6.62 0.00 0.24 0.64 119.26 129.27 2klm h ALA 46 Ca -0.00 -1.31 -0.02 0.00 0.00 0.00 0.00 54.91 53.58 2klm h ALA 46 Cb 0.29 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2klm h ALA 46 CO 0.00 1.39 -0.10 -0.97 0.00 0.00 0.00 179.25 179.57 2klm h ASN 47 N 0.03 0.00 0.00 0.00 -0.73 0.32 -3.24 115.58 111.96 2klm h ASN 47 Ca -0.28 0.00 -0.32 0.00 1.87 0.00 0.00 56.30 57.57 2klm h ASN 47 Cb 2.00 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 40.54 2klm h ASN 47 CO 0.11 0.10 -2.10 1.15 -0.37 0.00 0.00 177.43 176.32 2klm n MET 48 N -3.62 0.44 0.00 6.67 0.00 -0.24 -5.07 117.12 115.29 2klm n MET 48 Ca -0.02 0.16 0.00 0.00 0.00 0.00 0.00 57.70 57.85 2klm n MET 48 Cb 0.22 -1.26 0.00 0.00 0.00 0.00 0.00 33.22 32.19 2klm n MET 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2klm n GLY 49 N 1.99 1.10 3.79 3.17 0.00 0.22 -5.09 105.19 110.37 2klm n GLY 49 Ca -0.38 -1.84 -0.35 0.00 0.00 0.00 0.00 46.02 43.45 2klm n GLY 49 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2klm s ASP 50 N 0.00 6.52 0.00 1.61 -4.77 -1.25 -4.16 116.67 114.62 2klm s ASP 50 Ca 0.00 2.00 0.00 0.00 -3.30 0.00 0.00 52.55 51.25 2klm s ASP 50 Cb 0.00 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.26 2klm s ASP 50 CO 0.00 -0.66 0.00 0.00 0.70 0.00 0.00 175.17 175.21 2klm n ALA 51 N -0.53 0.00 -3.26 2.11 0.00 -0.84 -4.86 120.51 113.12 2klm n ALA 51 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.38 2klm n ALA 51 Cb 0.51 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.82 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 -3.52 -0.02 -0.04 0.00 -1.09 -1.26 -0.85 121.20 114.42 2klm s ILE 52 Ca 0.00 0.07 -0.01 0.00 -2.23 0.00 0.00 60.65 58.47 2klm s ILE 52 Cb 0.00 -0.19 0.03 0.00 -1.58 0.00 0.00 42.46 40.72 2klm s ILE 52 CO 0.00 0.03 0.08 0.68 -1.23 0.00 0.00 174.94 174.49 2klm s VAL 53 N 0.46 -0.05 0.59 2.92 -7.23 -0.75 -4.92 120.40 111.42 2klm s VAL 53 Ca -0.03 0.18 -0.17 0.00 -1.81 0.00 0.00 61.98 60.15 2klm s VAL 53 Cb -0.05 -0.14 -0.04 0.00 0.56 0.00 0.00 36.38 36.71 2klm s VAL 53 CO -0.02 0.07 1.08 -2.16 -0.31 0.00 0.00 175.10 173.77 2klm s PRO 54 N 1.00 3.25 -0.11 4.82 0.04 -1.26 -1.12 135.00 141.61 2klm s PRO 54 Ca -0.08 1.35 -0.22 0.00 0.04 0.00 0.00 61.00 62.09 2klm s PRO 54 Cb -0.11 -2.01 0.05 0.00 0.04 0.00 0.00 34.50 32.47 2klm s PRO 54 CO -0.04 -0.88 0.54 0.54 0.04 0.00 0.00 177.00 177.20 2klm s VAL 55 N -2.23 0.01 -0.41 -0.36 0.11 -0.23 -4.63 120.40 112.67 2klm s VAL 55 Ca 0.67 -0.11 0.03 0.00 -2.93 0.00 0.00 61.98 59.64 2klm s VAL 55 Cb -0.19 -0.81 0.11 0.00 -1.53 0.00 0.00 36.38 33.97 2klm s VAL 55 CO 0.34 -0.06 0.14 -1.61 -3.33 0.00 0.00 175.10 170.58 2klm s GLU 56 N -0.56 1.56 -0.91 1.54 2.02 -1.26 -1.70 118.70 119.39 2klm s GLU 56 Ca -0.07 -2.07 -0.25 0.00 0.02 0.00 0.00 54.97 52.60 2klm s GLU 56 Cb -0.03 -3.06 -0.05 0.00 0.10 0.00 0.00 34.13 31.09 2klm s GLU 56 CO 0.05 -1.02 1.95 0.42 0.02 0.00 0.00 175.26 176.67 2klm s ILE 57 N 0.51 3.45 -0.66 -1.63 1.01 -0.72 -4.62 121.20 118.53 2klm s ILE 57 Ca 0.14 -0.38 -0.26 0.00 0.00 0.00 0.00 60.65 60.14 2klm s ILE 57 Cb -0.22 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.22 2klm s ILE 57 CO -0.06 -0.94 1.79 0.42 0.00 0.00 0.00 174.94 176.14 2klm s THR 58 N 10.12 3.42 -0.18 2.92 -4.23 0.42 -1.43 115.64 126.67 2klm s THR 58 Ca 0.70 0.16 -0.10 0.00 -1.18 0.00 0.00 61.69 61.27 2klm s THR 58 Cb -0.07 -4.09 -0.05 0.00 1.34 0.00 0.00 72.50 69.64 2klm s THR 58 CO -0.00 -1.05 0.16 -0.63 -0.54 0.00 0.00 174.62 172.56 2klm s ILE 59 N 8.69 5.40 -0.05 2.99 1.01 0.36 -0.74 121.20 138.86 2klm s ILE 59 Ca 0.63 0.26 -0.01 0.00 0.00 0.00 0.00 60.65 61.53 2klm s ILE 59 Cb -0.11 -3.49 -0.03 0.00 0.01 0.00 0.00 42.46 38.83 2klm s ILE 59 CO 0.17 0.46 0.01 -0.31 0.00 0.00 0.00 174.94 175.27 2klm s TYR 60 N 0.18 3.15 0.57 3.97 1.51 -0.22 -1.42 117.35 125.09 2klm s TYR 60 Ca 0.10 0.16 0.30 0.00 -1.01 0.00 0.00 57.07 56.63 2klm s TYR 60 Cb -0.12 -1.75 1.45 0.00 -0.11 0.00 0.00 41.96 41.44 2klm s TYR 60 CO -0.00 0.48 1.85 0.00 -1.11 0.00 0.00 175.55 176.77 2klm h ALA 61 N 4.77 2.49 0.00 3.71 0.00 -1.89 1.56 119.26 129.90 2klm h ALA 61 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2klm h ALA 61 Cb 1.19 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2klm h ALA 61 CO 0.56 -0.95 0.00 -3.47 0.00 0.00 0.00 179.25 175.40 2klm n ASP 62 N -3.88 0.00 -1.75 0.00 2.03 -1.26 -4.77 116.55 106.92 2klm n ASP 62 Ca 0.13 0.29 -0.00 0.00 0.52 0.00 0.00 54.79 55.73 2klm n ASP 62 Cb 0.85 -0.30 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 2klm n ASP 62 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2klm n ARG 63 N -1.30 -0.21 -3.70 -0.67 0.63 0.53 -5.09 116.66 106.84 2klm n ARG 63 Ca 0.00 0.66 -0.14 0.00 -0.92 0.00 0.00 57.85 57.45 2klm n ARG 63 Cb 0.00 -2.19 -0.14 0.00 0.45 0.00 0.00 32.46 30.59 2klm n ARG 63 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2klm s SER 64 N -2.16 0.18 -0.45 6.15 1.04 -0.84 -4.95 113.70 112.67 2klm s SER 64 Ca 0.00 0.41 -0.11 0.00 0.48 0.00 0.00 55.95 56.73 2klm s SER 64 Cb -0.00 0.36 0.09 0.00 0.10 0.00 0.00 66.02 66.57 2klm s SER 64 CO 0.12 -0.20 0.33 -0.36 0.98 0.00 0.00 173.24 174.12 2klm s PHE 65 N 1.74 3.33 -0.10 5.02 0.40 -1.26 -1.06 117.98 126.04 2klm s PHE 65 Ca -0.04 -1.46 -0.13 0.00 -0.60 0.00 0.00 56.93 54.70 2klm s PHE 65 Cb -0.12 -3.22 -0.05 0.00 0.51 0.00 0.00 43.02 40.15 2klm s PHE 65 CO -0.07 -0.89 0.32 0.95 0.70 0.00 0.00 175.22 176.23 2klm s THR 66 N 1.47 5.25 0.43 0.64 -4.23 0.08 -4.91 115.64 114.37 2klm s THR 66 Ca 0.04 0.62 0.03 0.00 -1.18 0.00 0.00 61.69 61.20 2klm s THR 66 Cb -0.25 -3.64 -0.04 0.00 1.34 0.00 0.00 72.50 69.92 2klm s THR 66 CO 0.02 0.47 0.05 -0.36 -0.54 0.00 0.00 174.62 174.27 2klm s PHE 67 N -0.19 1.96 -0.43 3.99 0.40 -1.26 -0.44 117.98 122.01 2klm s PHE 67 Ca 0.19 -1.02 0.06 0.00 -0.60 0.00 0.00 56.93 55.56 2klm s PHE 67 Cb -0.14 -1.43 0.17 0.00 0.51 0.00 0.00 43.02 42.13 2klm s PHE 67 CO 0.07 0.05 0.55 0.14 0.70 0.00 0.00 175.22 176.73 2klm s VAL 68 N -3.04 -0.64 -0.30 -0.44 -7.23 -1.26 -5.02 120.40 102.48 2klm s VAL 68 Ca 0.22 -0.89 -0.24 0.00 -1.81 0.00 0.00 61.98 59.25 2klm s VAL 68 Cb 0.05 -0.35 0.18 0.00 0.56 0.00 0.00 36.38 36.82 2klm s VAL 68 CO 0.11 -0.33 1.37 0.28 -0.31 0.00 0.00 175.10 176.23 2klm s THR 69 N 1.23 0.00 -0.30 5.32 -1.32 -1.26 -4.80 115.64 114.51 2klm s THR 69 Ca 0.22 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.52 2klm s THR 69 Cb -0.05 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 70.12 2klm s THR 69 CO -0.07 0.00 1.21 -1.59 -2.21 0.00 0.00 174.62 171.96 2klm s LYS 70 N 0.15 0.09 0.34 7.08 -2.85 -1.26 -5.09 119.74 118.21 2klm s LYS 70 Ca 0.05 0.21 0.00 0.00 -1.00 0.00 0.00 55.97 55.23 2klm s LYS 70 Cb -0.05 0.12 0.00 0.00 -2.06 0.00 0.00 37.83 35.84 2klm s LYS 70 CO -0.14 -0.05 0.00 0.25 0.10 0.00 0.00 175.35 175.51 2klm n THR 71 N 4.88 -3.34 -1.77 3.79 -2.24 -1.26 -4.91 114.28 109.43 2klm n THR 71 Ca -0.07 1.54 -0.29 0.00 -2.27 0.00 0.00 64.05 62.95 2klm n THR 71 Cb 0.55 -2.13 0.09 0.00 -2.10 0.00 0.00 70.33 66.74 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 -3.41 1.91 -0.86 -0.78 0.04 -1.26 -4.93 135.00 125.72 2klm s PRO 72 Ca 0.00 0.27 -0.25 0.00 0.04 0.00 0.00 61.00 61.06 2klm s PRO 72 Cb 0.00 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.54 2klm s PRO 72 CO 0.00 -1.66 2.05 -1.25 0.04 0.00 0.00 177.00 176.18 2klm s PRO 73 N -5.42 2.34 0.00 0.56 0.04 -1.26 -4.20 135.00 127.05 2klm s PRO 73 Ca 0.62 -0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.61 2klm s PRO 73 Cb -0.12 -4.96 0.00 0.00 0.04 0.00 0.00 34.50 29.46 2klm s PRO 73 CO 0.51 -3.59 0.00 0.00 0.04 0.00 0.00 177.00 173.96 2klm n ALA 74 N 15.01 0.00 0.12 8.56 0.00 -1.26 -4.92 120.51 138.01 2klm n ALA 74 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2klm n ALA 74 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 2klm n ALA 74 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2klm n SER 75 N 0.00 0.00 -0.33 0.00 3.41 -1.26 -0.81 113.62 114.63 2klm n SER 75 Ca 0.00 0.18 0.18 0.00 -0.26 0.00 0.00 58.87 58.97 2klm n SER 75 Cb 0.00 0.00 0.39 0.00 -0.26 0.00 0.00 64.21 64.34 2klm n SER 75 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 2klm h TYR 76 N 0.00 0.80 0.00 7.33 3.20 -1.92 -2.04 116.97 124.35 2klm h TYR 76 Ca 0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2klm h TYR 76 Cb 1.22 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.29 2klm h TYR 76 CO 0.00 -0.09 -0.26 1.47 -1.64 0.00 0.00 178.16 177.64 2klm n LEU 77 N -5.03 0.00 -0.23 2.82 -0.00 0.01 -4.74 117.00 109.82 2klm n LEU 77 Ca 0.27 -0.12 -0.08 0.00 -0.00 0.00 0.00 56.01 56.08 2klm n LEU 77 Cb 0.81 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 44.26 2klm n LEU 77 CO 0.11 0.00 0.90 0.40 -0.00 0.00 0.00 177.39 178.81 2klm h ILE 78 N 0.00 1.26 -0.91 1.47 2.04 -1.33 -2.08 117.51 117.96 2klm h ILE 78 Ca 0.00 -1.00 0.19 0.00 1.00 0.00 0.00 64.86 65.05 2klm h ILE 78 Cb 0.00 0.66 -0.11 0.00 -0.74 0.00 0.00 36.82 36.63 2klm h ILE 78 CO 0.00 0.37 0.47 0.03 0.00 0.00 0.00 178.15 179.03 2klm h ARG 79 N 0.97 0.56 0.38 2.37 2.47 -1.61 1.70 114.38 121.22 2klm h ARG 79 Ca 0.20 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.87 2klm h ARG 79 Cb 0.42 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 2klm h ARG 79 CO 0.01 0.37 -0.18 -0.22 0.56 0.00 0.00 179.97 180.51 2klm h LYS 80 N 0.57 -0.49 -0.17 0.04 3.11 -1.71 0.19 116.57 118.12 2klm h LYS 80 Ca 0.54 0.03 0.05 0.00 -2.81 0.00 0.00 60.65 58.46 2klm h LYS 80 Cb 0.90 0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 32.23 2klm h LYS 80 CO -0.43 -0.33 0.38 0.00 -2.81 0.00 0.00 179.45 176.26 2klm h ALA 81 N -1.26 1.66 -2.42 5.00 0.00 -0.80 -3.17 119.26 118.27 2klm h ALA 81 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2klm h ALA 81 Cb 0.39 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2klm h ALA 81 CO 0.09 -0.46 0.00 0.00 0.00 0.00 0.00 179.25 178.87 2klm n ALA 82 N -2.07 0.00 0.00 0.00 0.00 0.58 -4.57 120.51 114.44 2klm n ALA 82 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2klm n ALA 82 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 2.37 0.74 3.56 0.00 0.00 0.64 -4.64 105.19 107.87 2klm n GLY 83 Ca 0.00 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 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 4.33 0.00 0.99 1.43 -1.26 -4.90 118.68 119.27 2klm s LEU 84 Ca 0.00 0.02 -0.13 0.00 -1.03 0.00 0.00 54.13 52.98 2klm s LEU 84 Cb 0.00 -2.67 0.20 0.00 0.03 0.00 0.00 46.19 43.75 2klm s LEU 84 CO 0.00 -0.54 1.18 -0.62 0.23 0.00 0.00 176.35 176.60 2klm n GLU 85 N 5.89 -1.05 -2.76 1.70 1.02 -1.26 -5.03 120.64 119.13 2klm n GLU 85 Ca -0.03 -1.96 -0.37 0.00 -0.02 0.00 0.00 57.16 54.78 2klm n GLU 85 Cb 0.49 -1.18 -0.06 0.00 -0.02 0.00 0.00 31.44 30.67 2klm n GLU 85 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2klm s LYS 86 N -5.57 4.55 0.00 3.49 -2.85 -1.26 -4.74 119.74 113.35 2klm s LYS 86 Ca 0.68 1.34 0.00 0.00 -1.00 0.00 0.00 55.97 56.99 2klm s LYS 86 Cb -0.02 -2.76 0.00 0.00 -2.06 0.00 0.00 37.83 32.99 2klm s LYS 86 CO 0.47 0.24 0.00 0.41 0.10 0.00 0.00 175.35 176.58 2klm n GLY 87 N 0.50 -1.98 0.00 0.59 0.00 -1.26 -5.06 105.19 97.98 2klm n GLY 87 Ca 0.02 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 0.59 0.30 -0.06 4.61 0.00 -1.26 -4.96 120.51 119.73 2klm n ALA 88 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2klm n ALA 88 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2klm n ALA 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2klm h HIS 89 N 0.00 0.33 -3.54 0.00 6.17 -1.99 -3.43 115.15 112.69 2klm h HIS 89 Ca 0.00 -0.04 -0.52 0.00 0.71 0.00 0.00 60.37 60.52 2klm h HIS 89 Cb 0.65 -0.09 -0.03 0.00 2.52 0.00 0.00 27.41 30.45 2klm h HIS 89 CO 0.00 0.42 0.00 0.15 0.71 0.00 0.00 177.93 179.22 2klm s LYS 90 N -5.33 3.98 0.41 5.26 -0.14 -1.26 -5.03 119.74 117.63 2klm s LYS 90 Ca -0.14 0.55 -0.25 0.00 -1.36 0.00 0.00 55.97 54.78 2klm s LYS 90 Cb 0.07 -2.67 -0.10 0.00 -1.68 0.00 0.00 37.83 33.45 2klm s LYS 90 CO 0.72 0.31 1.13 -2.30 -0.76 0.00 0.00 175.35 174.44 2klm n PRO 91 N 0.11 1.61 -3.64 -1.68 -0.02 -1.26 -5.00 135.00 125.11 2klm n PRO 91 Ca -0.00 0.57 -0.08 0.00 -2.02 0.00 0.00 63.50 61.98 2klm n PRO 91 Cb 0.52 -2.18 -0.07 0.00 -0.02 0.00 0.00 33.50 31.76 2klm n PRO 91 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2klm s GLY 92 N -0.63 -0.18 0.15 -1.23 0.00 -1.26 -5.12 107.32 99.05 2klm s GLY 92 Ca 0.62 2.73 0.00 0.00 0.00 0.00 0.00 44.72 48.07 2klm s GLY 92 CO 0.58 2.08 0.00 -2.13 0.00 0.00 0.00 173.10 173.63 2klm n ARG 93 N 2.83 -1.34 -2.97 2.90 3.00 -1.26 -4.17 116.66 115.65 2klm n ARG 93 Ca -0.15 0.88 -0.44 0.00 -0.00 0.00 0.00 57.85 58.14 2klm n ARG 93 Cb 0.57 -1.63 -0.01 0.00 0.00 0.00 0.00 32.46 31.38 2klm n ARG 93 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2klm s GLU 94 N -1.07 3.86 0.34 -0.14 0.41 -1.26 -4.94 118.70 115.90 2klm s GLU 94 Ca 0.00 -2.24 0.00 0.00 -0.41 0.00 0.00 54.97 52.32 2klm s GLU 94 Cb 0.00 -4.95 0.00 0.00 -1.78 0.00 0.00 34.13 27.40 2klm s GLU 94 CO 0.00 -1.73 0.00 1.63 -0.49 0.00 0.00 175.26 174.67 2klm n LYS 95 N 5.84 -2.18 -3.81 1.61 5.02 -1.26 -5.01 118.16 118.38 2klm n LYS 95 Ca 0.30 1.64 -0.10 0.00 -2.02 0.00 0.00 58.31 58.13 2klm n LYS 95 Cb 0.46 -2.76 -0.05 0.00 -0.02 0.00 0.00 35.03 32.66 2klm n LYS 95 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2klm s VAL 96 N -3.28 0.04 0.00 -0.18 0.11 -1.26 -5.05 120.40 110.79 2klm s VAL 96 Ca 0.00 -0.99 0.00 0.00 -2.93 0.00 0.00 61.98 58.06 2klm s VAL 96 Cb 0.00 -1.64 0.00 0.00 -1.53 0.00 0.00 36.38 33.21 2klm s VAL 96 CO 0.00 -0.20 0.00 0.61 -3.33 0.00 0.00 175.10 172.18 2klm n GLY 97 N -0.29 -0.83 2.78 6.54 0.00 -1.26 -4.57 105.19 107.57 2klm n GLY 97 Ca -0.09 -0.40 -0.17 0.00 0.00 0.00 0.00 46.02 45.36 2klm n GLY 97 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2klm s ARG 98 N -0.55 0.14 0.15 1.61 1.70 -1.25 -1.38 118.95 119.38 2klm s ARG 98 Ca 0.00 0.16 0.11 0.00 -0.47 0.00 0.00 55.73 55.52 2klm s ARG 98 Cb 0.00 -0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 33.92 2klm s ARG 98 CO 0.00 -0.18 -0.24 0.96 -1.08 0.00 0.00 175.30 174.76 2klm s ILE 99 N 1.21 2.42 0.54 4.99 -4.36 -1.22 -4.62 121.20 120.15 2klm s ILE 99 Ca -0.07 -1.81 -0.16 0.00 -0.26 0.00 0.00 60.65 58.35 2klm s ILE 99 Cb -0.13 -2.11 -0.07 0.00 1.25 0.00 0.00 42.46 41.40 2klm s ILE 99 CO -0.02 0.01 1.00 0.42 0.24 0.00 0.00 174.94 176.59 2klm s THR 100 N -1.30 4.38 0.09 8.37 -4.23 -1.26 -1.35 115.64 120.33 2klm s THR 100 Ca 0.17 1.12 -0.29 0.00 -1.18 0.00 0.00 61.69 61.51 2klm s THR 100 Cb -0.09 -3.65 -0.15 0.00 1.34 0.00 0.00 72.50 69.95 2klm s THR 100 CO 0.08 -0.67 1.65 -0.25 -0.54 0.00 0.00 174.62 174.90 2klm h TRP 101 N 0.75 -0.63 -0.75 3.99 2.91 -1.96 -1.62 115.95 118.63 2klm h TRP 101 Ca -0.47 -0.00 0.04 0.00 1.13 0.00 0.00 58.89 59.59 2klm h TRP 101 Cb 1.19 0.23 -0.05 0.00 -0.51 0.00 0.00 29.16 30.02 2klm h TRP 101 CO 0.63 -0.37 0.47 1.49 -1.03 0.00 0.00 178.44 179.63 2klm h GLU 102 N -0.59 0.88 -0.44 2.65 4.57 -1.96 -0.60 114.58 119.08 2klm h GLU 102 Ca -0.03 -0.05 0.03 0.00 -1.18 0.00 0.00 59.36 58.12 2klm h GLU 102 Cb 0.49 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.85 2klm h GLU 102 CO 0.02 0.58 0.24 1.96 -1.18 0.00 0.00 179.01 180.64 2klm h GLN 103 N 0.90 0.47 -0.03 1.92 4.20 -1.90 -0.32 115.11 120.36 2klm h GLN 103 Ca 0.31 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.91 2klm h GLN 103 Cb 0.05 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 2klm h GLN 103 CO -0.12 0.31 -0.33 -0.24 -0.67 0.00 0.00 178.83 177.78 2klm h VAL 104 N 0.49 1.25 0.00 -0.54 3.04 -0.82 -0.89 116.25 118.78 2klm h VAL 104 Ca 0.18 -1.19 0.00 0.00 -1.01 0.00 0.00 66.70 64.69 2klm h VAL 104 Cb 0.05 1.59 0.00 0.00 -2.01 0.00 0.00 31.29 30.93 2klm h VAL 104 CO -0.11 0.34 0.00 0.18 -1.01 0.00 0.00 177.57 176.98 2klm n LEU 105 N -4.13 0.04 -0.25 3.16 4.77 -0.28 0.22 117.00 120.54 2klm n LEU 105 Ca -0.02 0.87 0.01 0.00 -0.03 0.00 0.00 56.01 56.85 2klm n LEU 105 Cb 0.38 -0.41 0.09 0.00 -2.33 0.00 0.00 43.42 41.15 2klm n LEU 105 CO 0.39 -0.41 0.73 -0.08 -1.33 0.00 0.00 177.39 176.69 2klm h GLU 106 N 0.00 0.01 -0.17 3.23 4.81 -1.15 2.52 114.58 123.83 2klm h GLU 106 Ca 0.00 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 2klm h GLU 106 Cb 0.00 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2klm h GLU 106 CO 0.00 0.01 0.16 0.82 -0.73 0.00 0.00 179.01 179.27 2klm h ILE 107 N 0.01 0.59 -0.15 2.32 2.04 -1.12 0.22 117.51 121.42 2klm h ILE 107 Ca 0.35 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.21 2klm h ILE 107 Cb 0.55 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2klm h ILE 107 CO -0.73 0.00 0.00 0.00 0.00 0.00 0.00 178.15 177.42 2klm n ALA 108 N -2.40 2.42 -0.34 1.87 0.00 0.62 -4.03 120.51 118.66 2klm n ALA 108 Ca 0.01 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.67 2klm n ALA 108 Cb 0.28 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.13 2klm n ALA 108 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2klm n LYS 109 N 0.99 0.00 -0.22 0.00 4.81 0.70 -4.54 118.16 119.91 2klm n LYS 109 Ca 0.12 0.23 -0.09 0.00 -0.87 0.00 0.00 58.31 57.70 2klm n LYS 109 Cb 0.45 -0.68 0.03 0.00 0.02 0.00 0.00 35.03 34.86 2klm n LYS 109 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 2klm h GLN 110 N 0.00 1.06 -5.45 1.64 4.20 -1.77 -3.39 115.11 111.39 2klm h GLN 110 Ca 0.00 -0.30 -0.17 0.00 0.06 0.00 0.00 58.65 58.24 2klm h GLN 110 Cb 0.00 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.67 2klm h GLN 110 CO 0.00 1.00 0.59 0.15 -0.67 0.00 0.00 178.83 179.90 2klm s LYS 111 N -5.15 1.79 -0.41 1.46 -0.14 -1.26 -4.67 119.74 111.36 2klm s LYS 111 Ca -0.12 0.79 0.09 0.00 -1.36 0.00 0.00 55.97 55.37 2klm s LYS 111 Cb 0.14 -4.72 0.36 0.00 -1.68 0.00 0.00 37.83 31.93 2klm s LYS 111 CO 0.85 -4.03 1.11 -1.33 -0.76 0.00 0.00 175.35 171.19 2klm n MET 112 N 8.89 1.08 -0.22 1.68 2.81 -1.26 -4.78 117.12 125.32 2klm n MET 112 Ca 0.43 -2.26 0.02 0.00 -1.81 0.00 0.00 57.70 54.09 2klm n MET 112 Cb 0.47 -0.86 0.13 0.00 -0.71 0.00 0.00 33.22 32.25 2klm n MET 112 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 2klm h PRO 113 N 2.70 0.23 0.00 0.03 0.11 -1.98 -3.38 132.00 129.71 2klm h PRO 113 Ca -0.12 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.89 2klm h PRO 113 Cb 1.15 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.13 2klm h PRO 113 CO 0.17 0.15 -0.12 -3.47 -0.21 0.00 0.00 178.00 174.52 2klm n ASP 114 N -5.16 -0.71 -4.77 -2.05 -0.08 -1.26 -5.15 116.55 97.37 2klm n ASP 114 Ca 0.11 -1.58 -0.38 0.00 -1.51 0.00 0.00 54.79 51.43 2klm n ASP 114 Cb 0.38 0.35 -0.04 0.00 2.34 0.00 0.00 41.12 44.15 2klm n ASP 114 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2klm s LEU 115 N -1.91 4.29 0.00 -2.67 2.01 -1.26 -4.87 118.68 114.26 2klm s LEU 115 Ca 0.04 2.15 0.00 0.00 0.01 0.00 0.00 54.13 56.34 2klm s LEU 115 Cb 0.20 -3.97 0.00 0.00 0.01 0.00 0.00 46.19 42.43 2klm s LEU 115 CO -0.06 -0.39 0.73 -3.20 1.01 0.00 0.00 176.35 174.44 2klm n ASN 116 N 0.39 2.01 -4.13 2.29 5.15 -1.26 -4.72 115.26 114.99 2klm n ASN 116 Ca 0.03 -1.33 -0.09 0.00 -0.60 0.00 0.00 54.58 52.59 2klm n ASN 116 Cb 0.48 -0.40 -0.10 0.00 -0.53 0.00 0.00 39.78 39.23 2klm n ASN 116 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2klm s THR 117 N 0.82 0.22 0.00 -0.44 -4.23 -1.26 -5.00 115.64 105.75 2klm s THR 117 Ca 0.00 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 2klm s THR 117 Cb 0.00 -1.81 0.00 0.00 1.34 0.00 0.00 72.50 72.03 2klm s THR 117 CO 0.00 -0.71 0.00 0.35 -0.54 0.00 0.00 174.62 173.72 2klm n THR 118 N -0.02 0.00 -2.26 3.99 -2.24 -1.26 -4.90 114.28 107.60 2klm n THR 118 Ca -0.09 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.35 2klm n THR 118 Cb 0.62 -0.22 -0.00 0.00 -2.10 0.00 0.00 70.33 68.63 2klm n THR 118 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2klm s ASP 119 N -3.71 5.89 0.22 3.42 1.01 -1.26 -4.86 116.67 117.37 2klm s ASP 119 Ca 0.00 2.00 -0.09 0.00 0.71 0.00 0.00 52.55 55.17 2klm s ASP 119 Cb 0.00 -2.56 0.20 0.00 1.01 0.00 0.00 42.92 41.57 2klm s ASP 119 CO 0.00 -1.10 1.88 -0.07 0.21 0.00 0.00 175.17 176.09 2klm h LEU 120 N 1.04 0.88 -0.60 1.23 3.38 -1.98 -1.70 115.31 117.56 2klm h LEU 120 Ca -0.49 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.51 2klm h LEU 120 Cb 1.24 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.74 2klm h LEU 120 CO 0.57 0.62 0.35 -0.33 0.09 0.00 0.00 178.44 179.74 2klm h GLU 121 N 1.03 0.65 0.00 1.13 5.08 -1.97 1.15 114.58 121.65 2klm h GLU 121 Ca 0.31 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2klm h GLU 121 Cb -0.05 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.05 2klm h GLU 121 CO -0.09 0.43 0.00 0.00 -1.00 0.00 0.00 179.01 178.35 2klm n ALA 122 N -2.32 -0.31 -0.25 3.43 0.00 -0.86 -0.64 120.51 119.57 2klm n ALA 122 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.45 2klm n ALA 122 Cb 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.57 2klm n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2klm h ALA 123 N -2.00 -0.10 -0.41 0.00 0.00 -1.33 0.91 119.26 116.33 2klm h ALA 123 Ca 0.00 0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.12 2klm h ALA 123 Cb 0.00 0.90 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 2klm h ALA 123 CO 0.00 -0.72 -0.44 0.00 0.00 0.00 0.00 179.25 178.09 2klm h ALA 124 N 0.95 -0.63 -1.43 0.00 0.00 0.13 1.47 119.26 119.75 2klm h ALA 124 Ca 0.24 0.02 0.42 0.00 0.00 0.00 0.00 54.91 55.59 2klm h ALA 124 Cb 0.56 1.09 -0.08 0.00 0.00 0.00 0.00 17.79 19.36 2klm h ALA 124 CO -0.75 -0.86 0.99 -0.09 0.00 0.00 0.00 179.25 178.53 2klm h ARG 125 N -0.25 0.07 0.30 0.00 2.43 0.14 0.28 114.38 117.36 2klm h ARG 125 Ca 0.07 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 2klm h ARG 125 Cb 0.44 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2klm h ARG 125 CO -0.52 0.05 -0.16 0.00 -1.51 0.00 0.00 179.97 177.82 2klm h MET 126 N 0.07 -0.41 -0.30 0.20 -0.00 0.38 3.01 114.93 117.88 2klm h MET 126 Ca 0.74 0.03 0.05 0.00 -0.00 0.00 0.00 59.70 60.51 2klm h MET 126 Cb 2.68 0.09 -0.04 0.00 -0.00 0.00 0.00 31.60 34.33 2klm h MET 126 CO -0.15 -0.27 0.04 0.82 -0.00 0.00 0.00 176.91 177.35 2klm h ILE 127 N -0.43 0.83 0.01 -0.10 1.08 0.08 2.32 117.51 121.31 2klm h ILE 127 Ca -0.04 -0.05 -0.00 0.00 -0.39 0.00 0.00 64.86 64.38 2klm h ILE 127 Cb 0.33 0.67 0.00 0.00 -3.07 0.00 0.00 36.82 34.76 2klm h ILE 127 CO 0.06 0.03 -0.01 0.00 -0.69 0.00 0.00 178.15 177.54 2klm h ALA 128 N 1.23 -0.66 -0.92 1.87 0.00 -0.71 0.28 119.26 120.35 2klm h ALA 128 Ca 0.14 -0.00 0.23 0.00 0.00 0.00 0.00 54.91 55.28 2klm h ALA 128 Cb 0.16 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 17.79 2klm h ALA 128 CO -0.20 -0.66 -0.02 0.78 0.00 0.00 0.00 179.25 179.14 2klm h GLY 129 N -0.02 1.04 0.79 0.00 0.00 0.55 2.32 103.07 107.75 2klm h GLY 129 Ca -0.00 0.17 0.05 0.00 0.00 0.00 0.00 47.33 47.54 2klm h GLY 129 CO 0.00 -0.43 0.46 1.76 0.00 0.00 0.00 176.54 178.34 2klm h SER 130 N 0.04 0.74 -0.43 0.19 0.02 0.40 -0.13 113.55 114.37 2klm h SER 130 Ca 0.53 0.01 0.07 0.00 -0.84 0.00 0.00 61.79 61.56 2klm h SER 130 Cb 1.00 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 63.33 2klm h SER 130 CO -0.86 0.49 0.05 0.00 -1.14 0.00 0.00 176.83 175.37 2klm h ALA 131 N 1.34 0.45 -0.95 3.77 0.00 0.75 0.85 119.26 125.48 2klm h ALA 131 Ca 0.32 0.10 0.19 0.00 0.00 0.00 0.00 54.91 55.52 2klm h ALA 131 Cb 0.10 0.16 -0.11 0.00 0.00 0.00 0.00 17.79 17.94 2klm h ALA 131 CO -0.14 -0.35 0.53 -0.09 0.00 0.00 0.00 179.25 179.20 2klm h ARG 132 N 0.17 0.64 0.00 0.00 1.12 0.19 1.16 114.38 117.66 2klm h ARG 132 Ca 0.21 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 59.05 2klm h ARG 132 Cb 0.29 -0.14 0.00 0.00 -0.01 0.00 0.00 29.97 30.11 2klm h ARG 132 CO -0.31 0.42 0.00 0.45 -3.11 0.00 0.00 179.97 177.42 2klm n SER 133 N -4.85 0.00 0.10 -3.80 2.88 0.26 -1.44 113.62 106.78 2klm n SER 133 Ca 0.22 0.87 0.02 0.00 -1.33 0.00 0.00 58.87 58.64 2klm n SER 133 Cb 0.56 -0.37 0.10 0.00 -0.75 0.00 0.00 64.21 63.76 2klm n SER 133 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 2klm n MET 134 N -1.62 0.03 -0.80 -1.46 0.00 0.62 -4.68 117.12 109.21 2klm n MET 134 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 57.70 58.07 2klm n MET 134 Cb 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 33.22 31.14 2klm n MET 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2klm n GLY 135 N -1.21 0.49 3.51 3.17 0.00 0.32 -5.05 105.19 106.41 2klm n GLY 135 Ca -0.00 -0.48 -0.14 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.53 0.00 0.44 1.61 1.01 0.30 -4.86 120.40 116.37 2klm s VAL 136 Ca 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.02 2klm s VAL 136 Cb 0.00 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 2klm s VAL 136 CO 0.00 -0.01 0.13 -1.61 0.00 0.00 0.00 175.10 173.61 2klm s GLU 137 N 0.08 2.15 0.11 2.72 2.02 -0.48 -0.38 118.70 124.92 2klm s GLU 137 Ca -0.02 -2.03 -0.05 0.00 0.02 0.00 0.00 54.97 52.89 2klm s GLU 137 Cb -0.04 -1.82 -0.05 0.00 0.10 0.00 0.00 34.13 32.32 2klm s GLU 137 CO 0.02 -0.20 0.34 0.08 0.02 0.00 0.00 175.26 175.52 2klm s VAL 138 N -2.70 5.21 -2.00 2.63 1.01 -1.26 -3.46 120.40 119.84 2klm s VAL 138 Ca 0.32 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.34 2klm s VAL 138 Cb 0.04 -3.62 0.05 0.00 0.00 0.00 0.00 36.38 32.86 2klm s VAL 138 CO 0.18 0.11 0.43 0.55 0.00 0.00 0.00 175.10 176.37 2klm n VAL 139 N 0.29 0.00 0.00 2.92 3.14 -0.46 -4.81 118.33 119.42 2klm n VAL 139 Ca -0.04 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 2klm n VAL 139 Cb 0.52 -0.73 0.00 0.00 -1.06 0.00 0.00 33.84 32.57 2klm n VAL 139 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2klm n GLY 140 N -0.62 2.23 2.35 7.55 0.00 -1.26 -5.00 105.19 110.44 2klm n GLY 140 Ca 0.01 -1.83 -0.19 0.00 0.00 0.00 0.00 46.02 44.02 2klm n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2klm n ALA 141 N 1.96 1.30 -1.73 4.61 0.00 -1.26 -4.51 120.51 120.88 2klm n ALA 141 Ca 0.00 -2.83 -0.35 0.00 0.00 0.00 0.00 53.44 50.26 2klm n ALA 141 Cb 0.00 -0.97 0.01 0.00 0.00 0.00 0.00 19.45 18.49 2klm n ALA 141 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2klm s PRO 142 N -0.86 3.26 0.00 0.00 0.04 -1.26 -4.94 135.00 131.25 2klm s PRO 142 Ca 0.34 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.97 2klm s PRO 142 Cb 0.22 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.76 2klm s PRO 142 CO -0.13 -0.92 0.36 -1.91 0.04 0.00 0.00 177.00 174.44 2klm n GLU 143 N -1.47 0.00 -4.32 4.56 0.00 -1.26 -5.13 120.64 113.02 2klm n GLU 143 Ca 0.12 -0.21 -0.20 0.00 0.00 0.00 0.00 57.16 56.86 2klm n GLU 143 Cb 0.51 0.21 -0.16 0.00 0.00 0.00 0.00 31.44 32.00 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 0.70 -0.93 6.31 1.01 -1.26 -5.09 120.40 121.15 2klm s VAL 144 Ca 0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 61.98 61.63 2klm s VAL 144 Cb 0.00 -0.66 0.23 0.00 0.00 0.00 0.00 36.38 35.96 2klm s VAL 144 CO 0.00 0.24 0.85 -0.75 0.00 0.00 0.00 175.10 175.44 2klm s LYS 145 N 0.46 3.57 -0.36 2.72 2.20 -1.26 -4.91 119.74 122.17 2klm s LYS 145 Ca -0.07 -3.02 0.04 0.00 -0.36 0.00 0.00 55.97 52.56 2klm s LYS 145 Cb -0.11 -4.22 0.19 0.00 -1.51 0.00 0.00 37.83 32.17 2klm s LYS 145 CO 0.01 -1.25 0.69 0.34 -0.36 0.00 0.00 175.35 174.78 2klm s ASP 146 N 0.88 -1.37 0.00 1.43 2.15 -1.26 -5.37 116.67 113.14 2klm s ASP 146 Ca 0.26 -0.35 0.28 0.00 0.43 0.00 0.00 52.55 53.16 2klm s ASP 146 Cb -0.10 1.78 1.08 0.00 -0.30 0.00 0.00 42.92 45.38 2klm s ASP 146 CO -0.09 -0.19 1.76 0.00 -0.17 0.00 0.00 175.17 176.48