#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 0.45 1.95 0.03 2.20 -1.26 -4.82 119.74 118.30 2klm s LYS 2 Ca 0.00 0.86 0.00 0.00 -0.36 0.00 0.00 55.97 56.47 2klm s LYS 2 Cb 0.00 0.02 0.00 0.00 -1.51 0.00 0.00 37.83 36.34 2klm s LYS 2 CO 0.00 -0.15 0.00 1.17 -0.36 0.00 0.00 175.35 176.01 2klm n LYS 3 N 4.20 0.00 -1.90 4.03 4.81 -1.26 -4.64 118.16 123.40 2klm n LYS 3 Ca -0.22 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 56.79 2klm n LYS 3 Cb 0.56 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.58 2klm n LYS 3 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2klm s VAL 4 N 0.00 3.40 -0.03 3.15 0.11 -1.26 -2.49 120.40 123.28 2klm s VAL 4 Ca 0.00 0.48 0.05 0.00 -2.93 0.00 0.00 61.98 59.58 2klm s VAL 4 Cb 0.00 -3.31 -0.07 0.00 -1.53 0.00 0.00 36.38 31.46 2klm s VAL 4 CO 0.00 -0.04 0.07 1.33 -3.33 0.00 0.00 175.10 173.13 2klm n VAL 5 N 5.52 0.16 -3.79 2.04 0.24 -0.92 -4.93 118.33 116.64 2klm n VAL 5 Ca 0.18 -0.16 -0.13 0.00 -2.04 0.00 0.00 64.34 62.19 2klm n VAL 5 Cb 0.42 -0.18 -0.14 0.00 -1.47 0.00 0.00 33.84 32.47 2klm n VAL 5 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2klm s ALA 6 N -2.26 -0.20 -0.11 2.33 0.00 -0.85 -5.05 121.76 115.62 2klm s ALA 6 Ca -0.02 0.42 0.02 0.00 0.00 0.00 0.00 51.96 52.38 2klm s ALA 6 Cb 0.03 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.88 2klm s ALA 6 CO 0.22 -0.10 -0.16 0.54 0.00 0.00 0.00 175.76 176.27 2klm s VAL 7 N 0.62 1.53 -0.63 0.00 0.11 -1.26 0.48 120.40 121.25 2klm s VAL 7 Ca -0.05 -0.66 -0.08 0.00 -2.93 0.00 0.00 61.98 58.27 2klm s VAL 7 Cb -0.07 -1.39 0.16 0.00 -1.53 0.00 0.00 36.38 33.56 2klm s VAL 7 CO -0.03 0.45 0.49 -0.69 -3.33 0.00 0.00 175.10 171.99 2klm s VAL 8 N 0.97 4.34 -0.28 2.04 1.01 -0.63 -4.85 120.40 122.99 2klm s VAL 8 Ca -0.07 -2.46 -0.26 0.00 0.00 0.00 0.00 61.98 59.19 2klm s VAL 8 Cb -0.15 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.44 2klm s VAL 8 CO -0.01 -0.88 0.89 -0.75 0.00 0.00 0.00 175.10 174.34 2klm s LYS 9 N 0.45 4.08 0.04 2.72 2.20 -1.26 -1.56 119.74 126.41 2klm s LYS 9 Ca 0.14 0.87 -0.09 0.00 -0.36 0.00 0.00 55.97 56.53 2klm s LYS 9 Cb -0.19 -3.70 0.03 0.00 -1.51 0.00 0.00 37.83 32.46 2klm s LYS 9 CO -0.04 -0.67 0.43 1.47 -0.36 0.00 0.00 175.35 176.17 2klm n LEU 10 N 6.30 0.00 -4.87 5.43 -0.00 -0.64 -5.02 117.00 118.21 2klm n LEU 10 Ca 0.07 -0.43 -0.32 0.00 -0.00 0.00 0.00 56.01 55.33 2klm n LEU 10 Cb 0.47 0.96 -0.06 0.00 -0.00 0.00 0.00 43.42 44.80 2klm n LEU 10 CO 0.51 -0.14 0.24 -1.10 -0.00 0.00 0.00 177.39 176.90 2klm s GLN 11 N -2.01 3.85 -0.33 1.47 1.11 -1.26 -1.51 119.66 120.97 2klm s GLN 11 Ca 0.10 0.35 -0.01 0.00 0.01 0.00 0.00 55.36 55.81 2klm s GLN 11 Cb -0.01 -2.66 0.13 0.00 -1.01 0.00 0.00 33.01 29.46 2klm s GLN 11 CO 0.01 0.32 0.20 -1.17 0.01 0.00 0.00 175.29 174.66 2klm s LEU 12 N -2.72 0.75 0.00 2.90 0.20 -0.16 -4.85 118.68 114.80 2klm s LEU 12 Ca 0.47 -1.84 -0.30 0.00 0.69 0.00 0.00 54.13 53.15 2klm s LEU 12 Cb -0.12 -0.31 -0.06 0.00 -0.43 0.00 0.00 46.19 45.27 2klm s LEU 12 CO 0.20 -0.35 1.57 -2.16 -0.29 0.00 0.00 176.35 175.33 2klm s PRO 13 N 1.45 4.22 0.27 0.98 0.04 -1.26 -1.75 135.00 138.94 2klm s PRO 13 Ca 0.15 2.16 -0.30 0.00 0.04 0.00 0.00 61.00 63.05 2klm s PRO 13 Cb -0.20 -3.73 -0.13 0.00 0.04 0.00 0.00 34.50 30.47 2klm s PRO 13 CO -0.12 -0.73 1.33 0.00 0.04 0.00 0.00 177.00 177.53 2klm n ALA 14 N 6.10 1.01 -0.74 8.56 0.00 0.12 -4.34 120.51 131.21 2klm n ALA 14 Ca 0.16 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.99 2klm n ALA 14 Cb 0.42 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.63 2klm n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2klm n GLY 15 N 1.66 0.90 1.12 0.00 0.00 -1.22 -1.95 105.19 105.71 2klm n GLY 15 Ca 0.09 -0.74 -0.02 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 -1.04 -3.67 1.61 5.02 -1.26 -4.85 118.16 113.96 2klm n LYS 16 Ca 0.00 0.09 -0.24 0.00 -2.02 0.00 0.00 58.31 56.14 2klm n LYS 16 Cb 0.00 -4.12 -0.02 0.00 -0.02 0.00 0.00 35.03 30.87 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 -1.14 3.82 0.12 7.82 0.00 -1.26 -4.97 121.76 126.15 2klm s ALA 17 Ca 0.00 -1.00 -0.26 0.00 0.00 0.00 0.00 51.96 50.70 2klm s ALA 17 Cb 0.00 -1.94 0.07 0.00 0.00 0.00 0.00 23.12 21.25 2klm s ALA 17 CO 0.00 0.19 0.94 0.95 0.00 0.00 0.00 175.76 177.84 2klm s THR 18 N -2.08 0.00 0.00 0.00 -4.23 -1.26 -5.01 115.64 103.07 2klm s THR 18 Ca 0.37 -0.51 -0.00 0.00 -1.18 0.00 0.00 61.69 60.37 2klm s THR 18 Cb -0.10 -1.77 -0.01 0.00 1.34 0.00 0.00 72.50 71.97 2klm s THR 18 CO 0.32 0.00 0.42 -2.65 -0.54 0.00 0.00 174.62 172.17 2klm n PRO 19 N -0.42 0.17 -2.83 3.99 -0.02 -1.26 -3.54 135.00 131.09 2klm n PRO 19 Ca -0.07 -0.03 -0.11 0.00 -2.02 0.00 0.00 63.50 61.27 2klm n PRO 19 Cb 0.61 -1.46 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 2.14 1.30 -1.85 3.55 0.00 -1.26 -5.09 120.51 119.30 2klm n ALA 20 Ca 0.01 -2.28 -0.30 0.00 0.00 0.00 0.00 53.44 50.87 2klm n ALA 20 Cb 0.08 -1.02 0.05 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.17 2.73 0.56 0.00 0.04 -1.23 -4.95 135.00 130.98 2klm s PRO 21 Ca 0.28 0.46 0.30 0.00 0.04 0.00 0.00 61.00 62.08 2klm s PRO 21 Cb 0.37 -2.01 1.64 0.00 0.04 0.00 0.00 34.50 34.54 2klm s PRO 21 CO -0.05 -1.12 2.15 -1.00 0.04 0.00 0.00 177.00 177.02 2klm h PRO 22 N -0.72 0.00 0.08 0.56 0.13 -1.96 -3.17 132.00 126.92 2klm h PRO 22 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2klm h PRO 22 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2klm h PRO 22 CO 0.63 0.07 -0.04 0.28 -0.23 0.00 0.00 178.00 178.71 2klm h VAL 23 N 0.00 0.00 0.00 1.56 2.07 -1.98 -3.46 116.25 114.44 2klm h VAL 23 Ca -0.00 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.07 2klm h VAL 23 Cb 0.21 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 2klm h VAL 23 CO 0.01 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.21 2klm n GLY 24 N 1.40 0.56 0.46 2.17 0.00 -1.20 -0.96 105.19 107.62 2klm n GLY 24 Ca -0.01 0.75 -0.15 0.00 0.00 0.00 0.00 46.02 46.61 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 -0.57 -0.63 1.61 0.11 -1.90 0.68 132.00 131.30 2klm h PRO 25 Ca 0.00 0.04 0.18 0.00 0.11 0.00 0.00 66.00 66.33 2klm h PRO 25 Cb 0.00 0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.21 2klm h PRO 25 CO 0.00 -0.38 0.92 0.00 -0.21 0.00 0.00 178.00 178.33 2klm h ALA 26 N -0.27 2.47 -0.15 -0.75 0.00 -1.39 2.33 119.26 121.49 2klm h ALA 26 Ca 0.03 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2klm h ALA 26 Cb 0.69 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.44 2klm h ALA 26 CO -0.42 -1.24 -0.56 -0.11 0.00 0.00 0.00 179.25 176.92 2klm n LEU 27 N -3.20 3.16 0.05 0.00 7.94 0.20 -4.78 117.00 120.37 2klm n LEU 27 Ca 0.13 -4.07 0.00 0.00 -1.11 0.00 0.00 56.01 50.96 2klm n LEU 27 Cb 1.13 -0.49 0.00 0.00 0.53 0.00 0.00 43.42 44.58 2klm n LEU 27 CO 0.20 1.55 0.00 0.61 -1.11 0.00 0.00 177.39 178.63 2klm n GLY 28 N -1.04 -0.07 0.51 -3.96 0.00 0.78 -4.72 105.19 96.69 2klm n GLY 28 Ca 0.24 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.53 2klm n GLY 28 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2klm h GLN 29 N 0.00 0.00 -1.06 1.61 5.75 -1.75 0.74 115.11 120.39 2klm h GLN 29 Ca 0.00 0.00 0.38 0.00 -0.15 0.00 0.00 58.65 58.88 2klm h GLN 29 Cb 0.00 0.00 -0.15 0.00 1.07 0.00 0.00 27.48 28.40 2klm h GLN 29 CO 0.00 0.00 0.62 1.25 -2.65 0.00 0.00 178.83 178.05 2klm h HIS 30 N 0.00 0.81 0.00 3.99 2.76 -1.85 -3.44 115.15 117.43 2klm h HIS 30 Ca 0.44 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.65 2klm h HIS 30 Cb 2.62 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 31.38 2klm h HIS 30 CO 0.00 -0.29 0.00 0.41 -1.30 0.00 0.00 177.93 176.75 2klm n GLY 31 N -1.33 3.22 0.00 5.26 0.00 0.26 -5.03 105.19 107.57 2klm n GLY 31 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.98 0.00 -3.66 4.61 0.00 -1.26 -4.99 120.51 114.23 2klm n ALA 32 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 2klm n ALA 32 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 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 -2.55 0.54 0.00 0.00 0.01 -1.26 -5.07 114.94 106.60 2klm s ASN 33 Ca 0.00 -0.05 0.00 0.00 -0.71 0.00 0.00 52.86 52.10 2klm s ASN 33 Cb 0.00 -0.27 0.00 0.00 0.41 0.00 0.00 41.25 41.39 2klm s ASN 33 CO 0.00 -0.08 0.00 -0.38 -1.51 0.00 0.00 177.10 175.13 2klm n ILE 34 N 4.05 0.00 -0.32 0.60 2.08 -1.26 -2.76 119.36 121.75 2klm n ILE 34 Ca -0.26 0.39 0.30 0.00 0.56 0.00 0.00 62.75 63.74 2klm n ILE 34 Cb 0.51 -1.19 0.55 0.00 -0.75 0.00 0.00 39.64 38.76 2klm n ILE 34 CO 0.00 0.00 0.00 0.80 0.56 0.00 0.00 176.55 177.91 2klm n MET 35 N -1.73 -0.06 0.03 0.38 1.56 -1.26 0.24 117.12 116.28 2klm n MET 35 Ca 0.00 1.36 -0.12 0.00 -0.27 0.00 0.00 57.70 58.67 2klm n MET 35 Cb 0.00 -2.42 -0.07 0.00 2.15 0.00 0.00 33.22 32.88 2klm n MET 35 CO 0.00 0.00 0.00 1.49 -0.73 0.00 0.00 175.97 176.73 2klm h GLU 36 N 0.00 0.03 -0.28 2.12 4.57 -1.99 1.31 114.58 120.34 2klm h GLU 36 Ca 0.81 -0.00 0.04 0.00 -1.18 0.00 0.00 59.36 59.03 2klm h GLU 36 Cb 2.13 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 30.64 2klm h GLU 36 CO -0.77 0.06 -0.52 0.35 -1.18 0.00 0.00 179.01 176.94 2klm h PHE 37 N -0.01 -1.59 -0.60 0.92 3.57 0.33 -1.05 116.94 118.51 2klm h PHE 37 Ca 0.01 0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.58 2klm h PHE 37 Cb 0.04 0.73 -0.03 0.00 2.79 0.00 0.00 35.95 39.47 2klm h PHE 37 CO -0.06 -0.49 0.40 0.28 -2.23 0.00 0.00 178.31 176.20 2klm h VAL 38 N -0.45 1.15 -0.13 1.41 2.07 -0.97 -0.71 116.25 118.61 2klm h VAL 38 Ca 0.05 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.31 2klm h VAL 38 Cb 0.60 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 2klm h VAL 38 CO -0.50 0.15 -0.22 0.50 0.02 0.00 0.00 177.57 177.52 2klm h LYS 39 N 0.81 -0.17 -1.01 1.57 3.64 0.27 2.94 116.57 124.63 2klm h LYS 39 Ca 0.22 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.68 2klm h LYS 39 Cb -0.08 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.71 2klm h LYS 39 CO -0.05 -0.11 0.65 0.00 -2.27 0.00 0.00 179.45 177.66 2klm h ALA 40 N -0.86 1.41 -1.74 5.00 0.00 -1.11 0.91 119.26 122.87 2klm h ALA 40 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2klm h ALA 40 Cb 0.24 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2klm h ALA 40 CO -0.21 0.43 0.00 0.34 0.00 0.00 0.00 179.25 179.81 2klm n PHE 41 N -4.51 0.00 -0.34 0.00 7.35 -0.29 -1.49 117.46 118.19 2klm n PHE 41 Ca 0.16 0.00 0.17 0.00 -0.76 0.00 0.00 57.45 57.02 2klm n PHE 41 Cb 0.20 -0.21 0.34 0.00 0.35 0.00 0.00 39.48 40.16 2klm n PHE 41 CO 0.00 0.00 0.00 -0.97 -0.76 0.00 0.00 176.76 175.03 2klm h ASN 42 N 0.00 -0.32 -0.62 -2.13 -0.73 0.54 0.91 115.58 113.23 2klm h ASN 42 Ca 0.00 0.27 0.07 0.00 1.87 0.00 0.00 56.30 58.51 2klm h ASN 42 Cb 0.00 0.44 -0.04 0.00 0.27 0.00 0.00 38.32 38.99 2klm h ASN 42 CO 0.00 -0.36 0.41 0.00 -0.37 0.00 0.00 177.43 177.11 2klm h ALA 43 N 1.98 1.83 0.10 1.57 0.00 0.87 2.61 119.26 128.22 2klm h ALA 43 Ca 0.64 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 55.29 2klm h ALA 43 Cb 1.40 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2klm h ALA 43 CO -0.89 0.06 -1.25 0.00 0.00 0.00 0.00 179.25 177.18 2klm h ALA 44 N 1.67 0.15 0.00 0.00 0.00 0.19 -1.62 119.26 119.65 2klm h ALA 44 Ca 0.27 -1.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.15 2klm h ALA 44 Cb 0.32 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2klm h ALA 44 CO -0.08 0.72 -0.04 1.79 0.00 0.00 0.00 179.25 181.63 2klm h THR 45 N -0.42 0.19 0.03 0.00 1.35 -0.50 0.40 112.91 113.96 2klm h THR 45 Ca -0.27 -0.37 -0.14 0.00 -0.55 0.00 0.00 66.41 65.07 2klm h THR 45 Cb 1.66 1.30 0.01 0.00 -1.73 0.00 0.00 68.15 69.39 2klm h THR 45 CO 0.04 0.04 -0.57 0.00 -0.25 0.00 0.00 175.52 174.78 2klm h ALA 46 N 1.96 0.02 0.00 6.62 0.00 0.45 2.62 119.26 130.93 2klm h ALA 46 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2klm h ALA 46 Cb 0.30 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2klm h ALA 46 CO 0.01 0.29 0.00 -0.91 0.00 0.00 0.00 179.25 178.64 2klm h ASN 47 N -0.28 0.00 0.00 0.00 4.21 -0.19 -3.29 115.58 116.03 2klm h ASN 47 Ca -0.08 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.43 2klm h ASN 47 Cb 1.32 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.52 2klm h ASN 47 CO 0.11 0.00 0.00 0.23 -1.29 0.00 0.00 177.43 176.48 2klm n MET 48 N -2.47 0.00 -3.99 0.81 2.81 0.01 -5.07 117.12 109.21 2klm n MET 48 Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 2klm n MET 48 Cb 0.09 -0.30 0.00 0.00 -0.71 0.00 0.00 33.22 32.30 2klm n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2klm n GLY 49 N 2.26 -0.69 3.62 3.03 0.00 0.88 -5.06 105.19 109.22 2klm n GLY 49 Ca 0.00 -1.14 -0.37 0.00 0.00 0.00 0.00 46.02 44.51 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 -4.00 6.07 0.00 1.61 -4.77 -1.26 -3.43 116.67 110.89 2klm s ASP 50 Ca 0.00 0.06 0.00 0.00 -3.30 0.00 0.00 52.55 49.31 2klm s ASP 50 Cb 0.00 -2.12 0.00 0.00 -1.09 0.00 0.00 42.92 39.71 2klm s ASP 50 CO 0.00 -0.00 0.00 0.00 0.70 0.00 0.00 175.17 175.87 2klm n ALA 51 N 4.71 0.00 -3.71 2.11 0.00 -0.82 -4.89 120.51 117.91 2klm n ALA 51 Ca -0.14 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.12 2klm n ALA 51 Cb 0.52 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.80 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 -1.31 0.17 -0.09 0.00 -1.09 -1.26 0.12 121.20 117.75 2klm s ILE 52 Ca 0.00 0.12 -0.04 0.00 -2.23 0.00 0.00 60.65 58.51 2klm s ILE 52 Cb 0.00 -0.29 0.05 0.00 -1.58 0.00 0.00 42.46 40.64 2klm s ILE 52 CO 0.00 0.16 0.18 -0.69 -1.23 0.00 0.00 174.94 173.36 2klm s VAL 53 N 1.23 -0.17 0.45 2.92 1.01 -0.72 -4.85 120.40 120.28 2klm s VAL 53 Ca -0.07 0.26 -0.22 0.00 0.00 0.00 0.00 61.98 61.95 2klm s VAL 53 Cb -0.13 -0.30 -0.08 0.00 0.00 0.00 0.00 36.38 35.86 2klm s VAL 53 CO -0.02 0.11 1.07 -2.16 0.00 0.00 0.00 175.10 174.09 2klm s PRO 54 N 1.77 3.90 0.08 2.72 0.04 -1.26 -0.99 135.00 141.26 2klm s PRO 54 Ca -0.03 1.50 -0.04 0.00 0.04 0.00 0.00 61.00 62.46 2klm s PRO 54 Cb -0.12 -2.31 -0.02 0.00 0.04 0.00 0.00 34.50 32.09 2klm s PRO 54 CO -0.07 -0.37 0.08 0.14 0.04 0.00 0.00 177.00 176.83 2klm s VAL 55 N -1.78 0.17 -0.55 -0.36 -7.23 -0.57 -4.74 120.40 105.33 2klm s VAL 55 Ca 0.63 -1.55 0.05 0.00 -1.81 0.00 0.00 61.98 59.31 2klm s VAL 55 Cb -0.21 -1.52 0.20 0.00 0.56 0.00 0.00 36.38 35.41 2klm s VAL 55 CO 0.25 -0.77 0.50 -0.62 -0.31 0.00 0.00 175.10 174.15 2klm n GLU 56 N 0.00 1.27 -1.46 4.82 1.02 -1.25 -1.62 120.64 123.42 2klm n GLU 56 Ca -0.13 -3.91 -0.14 0.00 -0.02 0.00 0.00 57.16 52.95 2klm n GLU 56 Cb 0.62 -1.92 -0.12 0.00 -0.02 0.00 0.00 31.44 30.00 2klm n GLU 56 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2klm n ILE 57 N 1.95 0.00 -2.20 -3.67 5.41 -0.60 -4.55 119.36 115.69 2klm n ILE 57 Ca 0.25 -0.41 -0.35 0.00 1.00 0.00 0.00 62.75 63.24 2klm n ILE 57 Cb 0.43 -1.09 -0.04 0.00 -0.71 0.00 0.00 39.64 38.24 2klm n ILE 57 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2klm s THR 58 N 8.60 3.53 -0.21 1.39 -4.23 -0.71 -1.60 115.64 122.41 2klm s THR 58 Ca 0.89 -0.10 -0.15 0.00 -1.18 0.00 0.00 61.69 61.15 2klm s THR 58 Cb -0.31 -4.29 -0.04 0.00 1.34 0.00 0.00 72.50 69.19 2klm s THR 58 CO 0.24 -1.23 0.35 -0.63 -0.54 0.00 0.00 174.62 172.80 2klm s ILE 59 N 8.25 5.23 -0.11 2.99 1.01 0.18 -1.26 121.20 137.49 2klm s ILE 59 Ca 0.60 0.59 -0.06 0.00 0.00 0.00 0.00 60.65 61.78 2klm s ILE 59 Cb -0.08 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 2klm s ILE 59 CO 0.08 0.27 0.13 -0.31 0.00 0.00 0.00 174.94 175.11 2klm s TYR 60 N 1.27 3.56 0.62 3.97 1.51 -0.26 -2.01 117.35 126.01 2klm s TYR 60 Ca 0.16 0.49 0.27 0.00 -1.01 0.00 0.00 57.07 56.98 2klm s TYR 60 Cb -0.14 -1.92 1.37 0.00 -0.11 0.00 0.00 41.96 41.15 2klm s TYR 60 CO 0.07 0.71 1.78 0.00 -1.11 0.00 0.00 175.55 177.00 2klm h ALA 61 N 4.93 1.94 0.00 3.71 0.00 -1.81 1.35 119.26 129.38 2klm h ALA 61 Ca -0.54 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2klm h ALA 61 Cb 1.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2klm h ALA 61 CO 0.58 -0.70 0.00 -3.47 0.00 0.00 0.00 179.25 175.67 2klm n ASP 62 N -3.29 0.00 -2.76 0.00 2.03 -1.26 -4.79 116.55 106.48 2klm n ASP 62 Ca 0.05 -0.55 -0.00 0.00 0.52 0.00 0.00 54.79 54.82 2klm n ASP 62 Cb 0.67 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.07 2klm n ASP 62 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2klm n ARG 63 N -0.71 -1.09 -3.71 -0.67 1.74 0.46 -5.06 116.66 107.62 2klm n ARG 63 Ca 0.03 1.29 -0.13 0.00 -0.77 0.00 0.00 57.85 58.27 2klm n ARG 63 Cb 0.02 -4.94 -0.13 0.00 -1.02 0.00 0.00 32.46 26.38 2klm n ARG 63 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2klm s SER 64 N -2.82 -0.10 -0.45 0.55 1.04 -0.88 -4.96 113.70 106.08 2klm s SER 64 Ca 0.01 0.53 -0.11 0.00 0.48 0.00 0.00 55.95 56.86 2klm s SER 64 Cb -0.00 0.46 0.09 0.00 0.10 0.00 0.00 66.02 66.67 2klm s SER 64 CO 0.60 -0.18 0.32 -0.36 0.98 0.00 0.00 173.24 174.60 2klm s PHE 65 N 1.54 3.34 -0.23 5.02 0.40 -1.26 -1.10 117.98 125.68 2klm s PHE 65 Ca -0.07 -1.48 -0.15 0.00 -0.60 0.00 0.00 56.93 54.63 2klm s PHE 65 Cb -0.11 -3.18 -0.04 0.00 0.51 0.00 0.00 43.02 40.20 2klm s PHE 65 CO -0.08 -0.89 0.38 0.95 0.70 0.00 0.00 175.22 176.28 2klm s THR 66 N 1.46 5.19 -0.92 0.64 -4.23 -0.39 -4.92 115.64 112.48 2klm s THR 66 Ca 0.04 0.62 0.00 0.00 -1.18 0.00 0.00 61.69 61.17 2klm s THR 66 Cb -0.24 -3.70 0.00 0.00 1.34 0.00 0.00 72.50 69.89 2klm s THR 66 CO 0.02 0.21 0.00 2.22 -0.54 0.00 0.00 174.62 176.54 2klm n PHE 67 N 4.85 0.00 -0.61 3.99 -1.74 -1.26 -1.74 117.46 120.95 2klm n PHE 67 Ca -0.09 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.80 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 1.66 -1.96 -4.68 1.97 0.31 -1.26 -5.06 118.33 109.31 2klm n VAL 68 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 2klm n VAL 68 Cb 0.00 -2.20 -0.17 0.00 -0.91 0.00 0.00 33.84 30.56 2klm n VAL 68 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2klm s THR 69 N 0.00 1.57 0.01 2.52 -4.23 -1.26 -5.12 115.64 109.13 2klm s THR 69 Ca 0.00 -0.71 0.00 0.00 -1.18 0.00 0.00 61.69 59.80 2klm s THR 69 Cb 0.00 -1.41 -0.00 0.00 1.34 0.00 0.00 72.50 72.43 2klm s THR 69 CO 0.00 0.45 0.01 2.29 -0.54 0.00 0.00 174.62 176.84 2klm n LYS 70 N 3.94 0.02 -2.94 3.99 2.85 -1.26 -4.97 118.16 119.79 2klm n LYS 70 Ca -0.20 -0.11 -0.12 0.00 -1.05 0.00 0.00 58.31 56.84 2klm n LYS 70 Cb 0.52 0.09 0.06 0.00 -0.65 0.00 0.00 35.03 35.05 2klm n LYS 70 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2klm n THR 71 N -0.02 -4.73 -1.48 0.58 -1.04 -1.26 -5.01 114.28 101.32 2klm n THR 71 Ca 0.00 -0.47 -0.30 0.00 -2.04 0.00 0.00 64.05 61.23 2klm n THR 71 Cb 0.02 -4.51 0.08 0.00 -1.82 0.00 0.00 70.33 64.11 2klm n THR 71 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2klm s PRO 72 N -4.75 2.30 -0.91 -2.82 0.05 -1.26 -4.94 135.00 122.67 2klm s PRO 72 Ca 0.07 0.83 -0.24 0.00 0.05 0.00 0.00 61.00 61.71 2klm s PRO 72 Cb -0.01 -1.93 -0.01 0.00 0.05 0.00 0.00 34.50 32.61 2klm s PRO 72 CO 0.51 -1.52 1.74 -1.25 0.05 0.00 0.00 177.00 176.53 2klm s PRO 73 N -5.06 2.94 0.00 0.56 0.04 -1.26 -4.51 135.00 127.71 2klm s PRO 73 Ca 0.60 -0.50 0.00 0.00 0.04 0.00 0.00 61.00 61.14 2klm s PRO 73 Cb -0.15 -5.07 0.00 0.00 0.04 0.00 0.00 34.50 29.32 2klm s PRO 73 CO 0.55 -2.87 0.00 0.00 0.04 0.00 0.00 177.00 174.72 2klm n ALA 74 N 11.92 0.00 0.23 8.56 0.00 -1.26 -4.94 120.51 135.02 2klm n ALA 74 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.78 2klm n ALA 74 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 0.05 0.00 -0.32 0.00 7.64 -1.26 -0.70 113.62 119.02 2klm n SER 75 Ca 0.00 0.35 0.18 0.00 1.01 0.00 0.00 58.87 60.40 2klm n SER 75 Cb 0.00 0.00 0.37 0.00 -1.01 0.00 0.00 64.21 63.57 2klm n SER 75 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 2klm h TYR 76 N 0.00 0.66 0.00 1.43 0.05 -1.92 -2.02 116.97 115.17 2klm h TYR 76 Ca 0.00 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.82 2klm h TYR 76 Cb 1.64 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 39.24 2klm h TYR 76 CO 0.00 -0.16 -0.18 1.47 -1.05 0.00 0.00 178.16 178.24 2klm n LEU 77 N -5.11 0.00 -0.20 3.88 -0.00 0.12 -4.74 117.00 110.95 2klm n LEU 77 Ca 0.26 -0.14 -0.09 0.00 -0.00 0.00 0.00 56.01 56.04 2klm n LEU 77 Cb 0.80 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 44.24 2klm n LEU 77 CO 0.09 0.00 0.86 0.40 -0.00 0.00 0.00 177.39 178.74 2klm h ILE 78 N 0.00 1.26 -0.91 1.47 2.04 -1.17 -2.17 117.51 118.03 2klm h ILE 78 Ca 0.00 -0.99 0.16 0.00 1.00 0.00 0.00 64.86 65.03 2klm h ILE 78 Cb 0.00 0.82 -0.10 0.00 -0.74 0.00 0.00 36.82 36.80 2klm h ILE 78 CO 0.00 0.36 0.50 0.03 0.00 0.00 0.00 178.15 179.04 2klm h ARG 79 N 0.82 0.66 0.58 2.37 2.47 -1.59 2.80 114.38 122.49 2klm h ARG 79 Ca 0.17 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.82 2klm h ARG 79 Cb 0.43 -0.15 0.01 0.00 -1.65 0.00 0.00 29.97 28.61 2klm h ARG 79 CO 0.01 0.43 -0.28 -0.22 0.56 0.00 0.00 179.97 180.48 2klm h LYS 80 N 0.68 -0.76 -0.55 0.04 3.11 -1.64 2.12 116.57 119.57 2klm h LYS 80 Ca 0.51 0.05 0.06 0.00 -2.81 0.00 0.00 60.65 58.46 2klm h LYS 80 Cb 0.75 0.17 -0.03 0.00 -1.00 0.00 0.00 32.23 32.12 2klm h LYS 80 CO -0.37 -0.50 0.37 0.00 -2.81 0.00 0.00 179.45 176.13 2klm h ALA 81 N -1.53 1.85 -3.00 5.00 0.00 -0.97 -3.31 119.26 117.30 2klm h ALA 81 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2klm h ALA 81 Cb 0.60 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2klm h ALA 81 CO 0.13 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.44 2klm n ALA 82 N -2.49 0.00 0.00 0.00 0.00 0.93 -4.68 120.51 114.27 2klm n ALA 82 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2klm n ALA 82 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 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 2.62 1.64 7.00 0.00 0.00 0.71 -4.65 105.19 112.52 2klm n GLY 83 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2klm n GLY 83 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2klm n LEU 84 N 0.00 0.00 0.00 0.99 4.77 -1.26 -4.84 117.00 116.66 2klm n LEU 84 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2klm n LEU 84 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2klm n LEU 84 CO 0.00 -0.06 0.00 -1.84 -1.33 0.00 0.00 177.39 174.16 2klm n GLU 85 N -0.01 0.00 -3.47 3.23 0.28 -1.26 -5.12 120.64 114.29 2klm n GLU 85 Ca 0.00 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.81 2klm n GLU 85 Cb 0.00 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 32.75 2klm n GLU 85 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 2klm s LYS 86 N 0.00 0.23 1.31 3.44 2.20 -1.26 -5.06 119.74 120.60 2klm s LYS 86 Ca 0.00 0.07 0.00 0.00 -0.36 0.00 0.00 55.97 55.68 2klm s LYS 86 Cb 0.00 -1.06 0.00 0.00 -1.51 0.00 0.00 37.83 35.26 2klm s LYS 86 CO 0.00 -0.77 0.00 0.41 -0.36 0.00 0.00 175.35 174.63 2klm n GLY 87 N 5.31 0.53 3.57 5.54 0.00 -1.26 -4.19 105.19 114.70 2klm n GLY 87 Ca -0.05 0.79 -0.01 0.00 0.00 0.00 0.00 46.02 46.76 2klm n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2klm s ALA 88 N -1.00 -2.26 -0.03 4.61 0.00 -1.26 -5.08 121.76 116.74 2klm s ALA 88 Ca 0.00 2.25 -0.09 0.00 0.00 0.00 0.00 51.96 54.12 2klm s ALA 88 Cb 0.00 -1.84 -0.05 0.00 0.00 0.00 0.00 23.12 21.23 2klm s ALA 88 CO 0.00 -0.86 0.50 1.25 0.00 0.00 0.00 175.76 176.65 2klm h HIS 89 N 7.65 -0.31 -3.80 0.00 2.76 -2.04 -3.48 115.15 115.94 2klm h HIS 89 Ca -0.19 -0.01 -0.15 0.00 -2.20 0.00 0.00 60.37 57.82 2klm h HIS 89 Cb 1.12 0.10 -0.20 0.00 1.55 0.00 0.00 27.41 29.98 2klm h HIS 89 CO 0.16 -0.19 -0.59 0.15 -1.30 0.00 0.00 177.93 176.16 2klm s LYS 90 N -2.68 0.43 0.39 5.26 1.02 -1.26 -5.14 119.74 117.76 2klm s LYS 90 Ca -0.05 -0.59 -0.26 0.00 0.02 0.00 0.00 55.97 55.10 2klm s LYS 90 Cb 0.00 0.17 -0.11 0.00 -0.52 0.00 0.00 37.83 37.37 2klm s LYS 90 CO 0.14 -0.09 1.08 -2.30 -0.92 0.00 0.00 175.35 173.26 2klm n PRO 91 N 1.33 1.52 0.00 -1.68 -0.02 -1.26 -4.98 135.00 129.91 2klm n PRO 91 Ca -0.22 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 2klm n PRO 91 Cb 0.56 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 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 1.09 2.01 0.00 -1.23 0.00 -1.26 -5.15 105.19 100.65 2klm n GLY 92 Ca 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2klm n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2klm n ARG 93 N 0.00 0.00 -2.65 1.61 1.74 -1.26 -5.11 116.66 110.99 2klm n ARG 93 Ca 0.00 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.04 2klm n ARG 93 Cb 0.00 0.00 0.09 0.00 -1.02 0.00 0.00 32.46 31.53 2klm n ARG 93 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2klm n GLU 94 N -0.32 0.04 -2.76 5.56 0.28 -1.26 -5.06 120.64 117.12 2klm n GLU 94 Ca 0.00 -0.56 -0.09 0.00 -0.16 0.00 0.00 57.16 56.34 2klm n GLU 94 Cb 0.00 -0.07 0.08 0.00 1.43 0.00 0.00 31.44 32.88 2klm n GLU 94 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2klm n LYS 95 N 1.28 1.10 -3.87 3.44 4.81 -1.26 -5.13 118.16 118.53 2klm n LYS 95 Ca -0.01 -2.18 -0.11 0.00 -0.87 0.00 0.00 58.31 55.13 2klm n LYS 95 Cb 0.73 -0.73 -0.10 0.00 0.02 0.00 0.00 35.03 34.95 2klm n LYS 95 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2klm s VAL 96 N -0.41 0.09 0.00 3.15 0.11 -1.26 -5.01 120.40 117.07 2klm s VAL 96 Ca 0.24 -0.73 0.00 0.00 -2.93 0.00 0.00 61.98 58.57 2klm s VAL 96 Cb 0.36 -0.50 0.00 0.00 -1.53 0.00 0.00 36.38 34.71 2klm s VAL 96 CO -0.06 -0.40 0.00 0.61 -3.33 0.00 0.00 175.10 171.92 2klm n GLY 97 N 1.34 -0.38 2.86 6.54 0.00 -1.26 -4.40 105.19 109.89 2klm n GLY 97 Ca -0.22 -0.21 -0.27 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.76 1.22 0.10 1.61 3.52 -1.21 -0.69 118.95 121.74 2klm s ARG 98 Ca 0.00 -0.31 0.05 0.00 -0.13 0.00 0.00 55.73 55.34 2klm s ARG 98 Cb 0.00 -1.70 -0.04 0.00 -1.56 0.00 0.00 34.95 31.65 2klm s ARG 98 CO 0.00 -0.38 -0.02 0.42 -0.81 0.00 0.00 175.30 174.51 2klm s ILE 99 N 1.74 3.87 0.38 4.11 1.01 -1.18 -4.62 121.20 126.51 2klm s ILE 99 Ca 0.03 -1.06 -0.19 0.00 0.00 0.00 0.00 60.65 59.42 2klm s ILE 99 Cb -0.14 -2.84 -0.10 0.00 0.01 0.00 0.00 42.46 39.39 2klm s ILE 99 CO -0.07 0.11 0.88 0.42 0.00 0.00 0.00 174.94 176.27 2klm s THR 100 N -1.30 4.47 0.10 2.92 -4.23 -1.26 -1.42 115.64 114.93 2klm s THR 100 Ca 0.25 1.34 -0.25 0.00 -1.18 0.00 0.00 61.69 61.85 2klm s THR 100 Cb -0.11 -3.64 -0.10 0.00 1.34 0.00 0.00 72.50 69.98 2klm s THR 100 CO 0.17 -0.22 1.69 -0.25 -0.54 0.00 0.00 174.62 175.47 2klm h TRP 101 N 2.17 -0.32 -0.92 3.99 2.91 -1.94 -1.93 115.95 119.90 2klm h TRP 101 Ca -0.48 0.01 0.03 0.00 1.13 0.00 0.00 58.89 59.57 2klm h TRP 101 Cb 1.18 0.13 -0.05 0.00 -0.51 0.00 0.00 29.16 29.91 2klm h TRP 101 CO 0.62 -0.19 0.60 1.49 -1.03 0.00 0.00 178.44 179.93 2klm h GLU 102 N -0.25 1.13 -0.15 2.65 4.57 -1.99 -0.82 114.58 119.73 2klm h GLU 102 Ca 0.02 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2klm h GLU 102 Cb 0.27 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 2klm h GLU 102 CO -0.07 0.75 0.09 1.96 -1.18 0.00 0.00 179.01 180.56 2klm h GLN 103 N 1.17 0.20 -0.19 1.92 4.20 -1.88 -0.68 115.11 119.84 2klm h GLN 103 Ca 0.36 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 59.00 2klm h GLN 103 Cb -0.01 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2klm h GLN 103 CO -0.12 0.16 -0.14 -0.39 -0.67 0.00 0.00 178.83 177.68 2klm h VAL 104 N 0.18 1.20 0.16 -0.54 -1.51 -1.03 -1.65 116.25 113.05 2klm h VAL 104 Ca 0.05 -0.88 -0.01 0.00 -1.23 0.00 0.00 66.70 64.63 2klm h VAL 104 Cb 0.01 1.21 0.00 0.00 -2.13 0.00 0.00 31.29 30.38 2klm h VAL 104 CO -0.01 0.28 -0.08 -0.07 -1.23 0.00 0.00 177.57 176.46 2klm h LEU 105 N 0.30 -0.19 -0.86 4.19 3.38 -0.35 0.15 115.31 121.93 2klm h LEU 105 Ca 0.06 0.01 0.22 0.00 0.09 0.00 0.00 57.88 58.26 2klm h LEU 105 Cb 0.42 0.05 -0.15 0.00 0.09 0.00 0.00 40.66 41.08 2klm h LEU 105 CO 0.02 -0.13 0.10 -0.08 0.09 0.00 0.00 178.44 178.44 2klm h GLU 106 N -0.22 0.12 -0.13 1.13 4.81 -1.12 2.84 114.58 122.01 2klm h GLU 106 Ca -0.02 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.24 2klm h GLU 106 Cb 0.17 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2klm h GLU 106 CO 0.03 0.08 0.10 0.82 -0.73 0.00 0.00 179.01 179.31 2klm h ILE 107 N 0.12 0.86 -0.00 2.32 2.04 -1.07 -0.56 117.51 121.21 2klm h ILE 107 Ca 0.51 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.37 2klm h ILE 107 Cb 0.99 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 2klm h ILE 107 CO -0.72 0.00 -0.76 0.00 0.00 0.00 0.00 178.15 176.67 2klm n ALA 108 N -2.53 4.17 -0.59 1.87 0.00 0.78 -3.99 120.51 120.23 2klm n ALA 108 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.87 2klm n ALA 108 Cb 0.22 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.98 0.00 0.33 0.00 4.81 0.75 -4.00 118.16 119.06 2klm n LYS 109 Ca 0.05 0.21 0.21 0.00 -0.87 0.00 0.00 58.31 57.91 2klm n LYS 109 Cb 0.35 -0.77 1.15 0.00 0.02 0.00 0.00 35.03 35.78 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 0.00 -4.43 1.64 4.20 -1.77 -3.36 115.11 111.40 2klm h GLN 110 Ca 0.00 0.00 -0.73 0.00 0.06 0.00 0.00 58.65 57.98 2klm h GLN 110 Cb 0.00 0.00 -0.22 0.00 0.30 0.00 0.00 27.48 27.56 2klm h GLN 110 CO 0.00 0.00 -0.12 0.15 -0.67 0.00 0.00 178.83 178.19 2klm s LYS 111 N -4.24 3.02 -0.35 1.46 -0.14 -1.26 -4.91 119.74 113.33 2klm s LYS 111 Ca -0.05 -1.40 0.15 0.00 -1.36 0.00 0.00 55.97 53.31 2klm s LYS 111 Cb 0.13 -4.22 0.40 0.00 -1.68 0.00 0.00 37.83 32.46 2klm s LYS 111 CO 0.43 -1.30 0.83 -1.33 -0.76 0.00 0.00 175.35 173.22 2klm n MET 112 N 5.66 1.05 -0.04 1.68 2.81 -1.26 -4.60 117.12 122.43 2klm n MET 112 Ca -0.11 -3.32 -0.10 0.00 -1.81 0.00 0.00 57.70 52.36 2klm n MET 112 Cb 0.42 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.41 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 3.00 -0.34 0.00 0.03 0.11 -1.96 -3.37 132.00 129.47 2klm h PRO 113 Ca 0.01 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2klm h PRO 113 Cb 1.07 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2klm h PRO 113 CO 0.50 -0.22 -0.65 -3.47 -0.21 0.00 0.00 178.00 173.94 2klm n ASP 114 N -5.41 3.27 -1.56 -2.05 -0.08 -1.26 -4.78 116.55 104.69 2klm n ASP 114 Ca -0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.26 2klm n ASP 114 Cb 0.33 0.35 0.00 0.00 2.34 0.00 0.00 41.12 44.14 2klm n ASP 114 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2klm n LEU 115 N -1.44 3.87 -2.06 -2.67 -0.00 -1.26 -4.52 117.00 108.91 2klm n LEU 115 Ca 0.00 -1.76 -0.16 0.00 -0.00 0.00 0.00 56.01 54.10 2klm n LEU 115 Cb 0.30 -0.81 -0.07 0.00 -0.00 0.00 0.00 43.42 42.84 2klm n LEU 115 CO 0.00 0.73 1.45 -0.46 -0.00 0.00 0.00 177.39 179.10 2klm n ASN 116 N 1.52 5.84 -1.17 1.45 2.04 -1.26 -4.36 115.26 119.32 2klm n ASN 116 Ca 0.00 -2.79 0.00 0.00 -0.44 0.00 0.00 54.58 51.35 2klm n ASN 116 Cb 0.38 -1.26 0.00 0.00 -2.53 0.00 0.00 39.78 36.37 2klm n ASN 116 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 2klm n THR 117 N 1.49 0.84 -2.33 5.53 -2.24 -1.26 -4.72 114.28 111.59 2klm n THR 117 Ca 0.36 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 62.06 2klm n THR 117 Cb 0.68 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 2klm n THR 117 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2klm n THR 118 N 0.92 0.00 -3.68 4.28 5.66 -1.26 -4.82 114.28 115.38 2klm n THR 118 Ca 0.00 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.90 2klm n THR 118 Cb 0.33 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.01 2klm n THR 118 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2klm s ASP 119 N -1.87 -0.31 0.35 1.09 1.01 -1.26 -5.02 116.67 110.65 2klm s ASP 119 Ca 0.00 0.87 0.05 0.00 0.71 0.00 0.00 52.55 54.18 2klm s ASP 119 Cb 0.00 0.95 0.66 0.00 1.01 0.00 0.00 42.92 45.53 2klm s ASP 119 CO 0.00 -0.21 1.92 -0.07 0.21 0.00 0.00 175.17 177.02 2klm h LEU 120 N 7.63 0.50 -1.29 1.23 3.38 -1.96 -2.45 115.31 122.35 2klm h LEU 120 Ca -0.27 -0.07 0.15 0.00 0.09 0.00 0.00 57.88 57.78 2klm h LEU 120 Cb 1.15 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.70 2klm h LEU 120 CO 0.22 0.52 0.58 -0.33 0.09 0.00 0.00 178.44 179.52 2klm h GLU 121 N 0.53 0.65 0.02 1.13 5.08 -1.96 1.49 114.58 121.54 2klm h GLU 121 Ca 0.12 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2klm h GLU 121 Cb 0.23 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2klm h GLU 121 CO -0.00 0.43 -0.01 0.00 -1.00 0.00 0.00 179.01 178.43 2klm h ALA 122 N 1.60 -0.39 -0.96 3.43 0.00 -1.80 -1.17 119.26 119.98 2klm h ALA 122 Ca 0.46 -0.01 0.25 0.00 0.00 0.00 0.00 54.91 55.62 2klm h ALA 122 Cb 0.77 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 2klm h ALA 122 CO -0.21 -0.39 0.66 0.00 0.00 0.00 0.00 179.25 179.31 2klm h ALA 123 N -1.95 2.57 -0.26 0.00 0.00 -1.55 -0.10 119.26 117.97 2klm h ALA 123 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2klm h ALA 123 Cb 0.02 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2klm h ALA 123 CO 0.01 -0.87 0.00 0.00 0.00 0.00 0.00 179.25 178.38 2klm n ALA 124 N -2.61 -0.44 -0.56 0.00 0.00 0.51 -1.72 120.51 115.70 2klm n ALA 124 Ca 0.21 0.00 0.46 0.00 0.00 0.00 0.00 53.44 54.10 2klm n ALA 124 Cb 0.90 0.00 0.78 0.00 0.00 0.00 0.00 19.45 21.13 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 0.02 0.00 0.00 2.43 -0.44 0.21 114.38 116.60 2klm h ARG 125 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2klm h ARG 125 Cb 0.00 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2klm h ARG 125 CO 0.00 0.01 0.00 -0.12 -1.51 0.00 0.00 179.97 178.35 2klm n MET 126 N -4.11 0.00 -0.12 0.20 1.56 -0.12 0.33 117.12 114.86 2klm n MET 126 Ca 0.38 0.39 -0.05 0.00 -0.27 0.00 0.00 57.70 58.14 2klm n MET 126 Cb 1.70 -1.35 0.01 0.00 2.15 0.00 0.00 33.22 35.74 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 0.47 0.00 1.12 2.04 -0.14 2.47 117.51 123.46 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 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 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 -2.83 -0.35 -0.33 1.87 0.00 -0.29 0.51 120.51 119.11 2klm n ALA 128 Ca 0.02 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.61 2klm n ALA 128 Cb 0.27 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.02 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 1.31 0.88 0.00 0.00 0.54 2.15 103.07 107.95 2klm h GLY 129 Ca 0.00 0.10 0.02 0.00 0.00 0.00 0.00 47.33 47.45 2klm h GLY 129 CO 0.00 -0.49 0.35 1.76 0.00 0.00 0.00 176.54 178.15 2klm h SER 130 N 0.05 0.57 -0.55 0.19 0.02 0.43 0.66 113.55 114.93 2klm h SER 130 Ca 0.60 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 61.65 2klm h SER 130 Cb 1.25 -0.12 -0.09 0.00 0.14 0.00 0.00 62.40 63.59 2klm h SER 130 CO -0.84 0.40 0.05 0.00 -1.14 0.00 0.00 176.83 175.30 2klm h ALA 131 N 1.25 0.58 -0.83 3.77 0.00 0.87 1.08 119.26 125.97 2klm h ALA 131 Ca 0.23 0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.38 2klm h ALA 131 Cb 0.02 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 2klm h ALA 131 CO -0.10 -0.36 0.48 -0.09 0.00 0.00 0.00 179.25 179.19 2klm h ARG 132 N 0.17 0.78 0.00 0.00 1.12 0.47 1.78 114.38 118.71 2klm h ARG 132 Ca 0.28 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 59.10 2klm h ARG 132 Cb 0.43 -0.18 0.00 0.00 -0.01 0.00 0.00 29.97 30.21 2klm h ARG 132 CO -0.42 0.52 0.00 0.45 -3.11 0.00 0.00 179.97 177.41 2klm n SER 133 N -4.73 0.00 -0.48 -3.80 2.88 0.33 -1.50 113.62 106.32 2klm n SER 133 Ca 0.14 0.89 0.39 0.00 -1.33 0.00 0.00 58.87 58.96 2klm n SER 133 Cb 0.27 -0.39 0.68 0.00 -0.75 0.00 0.00 64.21 64.02 2klm n SER 133 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 2klm h MET 134 N 0.00 0.07 0.00 -1.46 2.86 0.34 -3.43 114.93 113.31 2klm h MET 134 Ca 0.00 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2klm h MET 134 Cb 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.64 2klm h MET 134 CO 0.00 0.04 0.00 0.41 1.06 0.00 0.00 176.91 178.42 2klm n GLY 135 N -1.60 0.85 3.22 8.32 0.00 0.43 -5.08 105.19 111.33 2klm n GLY 135 Ca 0.38 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.48 0.53 0.15 1.61 1.01 0.50 -4.92 120.40 118.81 2klm s VAL 136 Ca 0.00 -1.96 0.05 0.00 0.00 0.00 0.00 61.98 60.07 2klm s VAL 136 Cb 0.00 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 2klm s VAL 136 CO 0.00 -0.45 -0.12 -0.70 0.00 0.00 0.00 175.10 173.84 2klm s GLU 137 N -3.95 1.10 0.27 2.72 2.12 0.13 -1.88 118.70 119.21 2klm s GLU 137 Ca 0.25 -1.43 0.09 0.00 0.36 0.00 0.00 54.97 54.24 2klm s GLU 137 Cb 0.06 -0.78 -0.04 0.00 0.26 0.00 0.00 34.13 33.63 2klm s GLU 137 CO 0.04 0.12 0.05 0.08 -0.54 0.00 0.00 175.26 175.00 2klm s VAL 138 N -2.97 3.60 -2.00 3.70 1.01 -1.26 -3.12 120.40 119.36 2klm s VAL 138 Ca 0.16 -1.80 0.01 0.00 0.00 0.00 0.00 61.98 60.35 2klm s VAL 138 Cb 0.00 -2.96 0.03 0.00 0.00 0.00 0.00 36.38 33.45 2klm s VAL 138 CO 0.02 -0.35 0.33 0.55 0.00 0.00 0.00 175.10 175.65 2klm n VAL 139 N -0.97 0.00 -1.45 2.92 3.14 -0.50 -4.80 118.33 116.67 2klm n VAL 139 Ca -0.06 0.00 0.13 0.00 -2.96 0.00 0.00 64.34 61.44 2klm n VAL 139 Cb 0.59 -0.47 -0.07 0.00 -1.06 0.00 0.00 33.84 32.83 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 -0.32 -3.57 2.25 7.55 0.00 -1.26 -4.86 105.19 104.98 2klm n GLY 140 Ca 0.01 -1.00 -0.25 0.00 0.00 0.00 0.00 46.02 44.78 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 -3.84 2.71 -1.38 4.61 0.00 -1.26 -4.80 120.51 116.56 2klm n ALA 141 Ca -0.07 -3.58 -0.34 0.00 0.00 0.00 0.00 53.44 49.45 2klm n ALA 141 Cb 0.62 -0.82 0.09 0.00 0.00 0.00 0.00 19.45 19.33 2klm n ALA 141 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2klm s PRO 142 N -1.25 2.25 0.91 0.00 0.02 -1.26 -5.00 135.00 130.68 2klm s PRO 142 Ca 0.35 1.68 -0.13 0.00 0.02 0.00 0.00 61.00 62.92 2klm s PRO 142 Cb 0.15 -1.86 0.21 0.00 0.02 0.00 0.00 34.50 33.03 2klm s PRO 142 CO -0.11 -1.73 0.47 -0.85 -0.33 0.00 0.00 177.00 174.45 2klm n GLU 143 N -2.69 -2.42 -3.67 5.54 0.28 -1.26 -5.01 120.64 111.41 2klm n GLU 143 Ca 0.13 -0.79 -0.27 0.00 -0.16 0.00 0.00 57.16 56.06 2klm n GLU 143 Cb 0.51 -1.25 -0.17 0.00 1.43 0.00 0.00 31.44 31.96 2klm n GLU 143 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2klm s VAL 144 N -1.74 0.23 0.11 3.84 1.01 -1.26 -5.04 120.40 117.56 2klm s VAL 144 Ca 0.36 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.93 2klm s VAL 144 Cb -0.06 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.47 2klm s VAL 144 CO 0.31 -0.28 0.00 0.29 0.00 0.00 0.00 175.10 175.42 2klm n LYS 145 N 5.16 -3.99 0.21 2.72 5.02 -1.26 -4.75 118.16 121.27 2klm n LYS 145 Ca -0.08 2.83 0.05 0.00 -2.02 0.00 0.00 58.31 59.09 2klm n LYS 145 Cb 0.48 -3.33 0.49 0.00 -0.02 0.00 0.00 35.03 32.64 2klm n LYS 145 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 2klm h ASP 146 N 4.11 0.03 0.00 4.39 3.04 -2.05 -3.56 116.42 122.38 2klm h ASP 146 Ca 0.00 -0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.78 2klm h ASP 146 Cb 0.00 -0.01 0.00 0.00 -1.04 0.00 0.00 39.33 38.28 2klm h ASP 146 CO 0.00 0.21 0.00 0.00 -2.04 0.00 0.00 179.24 177.41