#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2klm n LYS 2 N 0.00 0.00 0.00 0.03 5.02 -1.26 -5.04 118.16 116.91 2klm n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2klm n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2klm n LYS 2 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2klm n LYS 3 N 0.00 0.65 -1.70 1.97 5.02 -1.26 -3.29 118.16 119.55 2klm n LYS 3 Ca 0.00 0.00 -0.64 0.00 -2.02 0.00 0.00 58.31 55.65 2klm n LYS 3 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 34.92 2klm n LYS 3 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2klm n VAL 4 N -1.12 0.07 -0.02 -0.18 3.14 -1.26 -3.64 118.33 115.32 2klm n VAL 4 Ca 0.00 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 2klm n VAL 4 Cb 0.00 -0.62 -0.05 0.00 -1.06 0.00 0.00 33.84 32.11 2klm n VAL 4 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 2klm n VAL 5 N 3.77 0.20 -3.77 1.55 0.24 -0.71 -4.91 118.33 114.70 2klm n VAL 5 Ca 0.28 -0.20 -0.15 0.00 -2.04 0.00 0.00 64.34 62.23 2klm n VAL 5 Cb 0.01 -0.22 -0.16 0.00 -1.47 0.00 0.00 33.84 32.01 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 -2.31 0.08 -0.26 2.33 0.00 -0.81 -5.05 121.76 115.74 2klm s ALA 6 Ca -0.03 0.32 0.03 0.00 0.00 0.00 0.00 51.96 52.28 2klm s ALA 6 Cb 0.03 -0.27 0.06 0.00 0.00 0.00 0.00 23.12 22.94 2klm s ALA 6 CO 0.27 -0.12 -0.10 0.54 0.00 0.00 0.00 175.76 176.34 2klm s VAL 7 N 1.12 2.08 -0.94 0.00 0.11 -1.26 0.13 120.40 121.64 2klm s VAL 7 Ca -0.09 -1.60 -0.19 0.00 -2.93 0.00 0.00 61.98 57.18 2klm s VAL 7 Cb -0.13 -2.22 0.12 0.00 -1.53 0.00 0.00 36.38 32.62 2klm s VAL 7 CO -0.03 -0.05 1.17 -0.69 -3.33 0.00 0.00 175.10 172.17 2klm s VAL 8 N 1.14 4.64 -0.30 2.04 1.01 -0.50 -4.83 120.40 123.60 2klm s VAL 8 Ca -0.08 -1.51 -0.25 0.00 0.00 0.00 0.00 61.98 60.14 2klm s VAL 8 Cb -0.20 -4.81 0.00 0.00 0.00 0.00 0.00 36.38 31.37 2klm s VAL 8 CO -0.05 -1.56 0.87 -0.75 0.00 0.00 0.00 175.10 173.61 2klm s LYS 9 N 2.92 4.02 -0.08 2.72 2.20 -1.26 -1.59 119.74 128.66 2klm s LYS 9 Ca 0.34 0.76 -0.27 0.00 -0.36 0.00 0.00 55.97 56.45 2klm s LYS 9 Cb -0.04 -3.72 0.09 0.00 -1.51 0.00 0.00 37.83 32.64 2klm s LYS 9 CO -0.09 -0.72 1.19 1.47 -0.36 0.00 0.00 175.35 176.84 2klm n LEU 10 N 6.35 0.00 -4.93 5.43 -0.00 -0.42 -5.01 117.00 118.42 2klm n LEU 10 Ca 0.06 -0.01 -0.25 0.00 -0.00 0.00 0.00 56.01 55.81 2klm n LEU 10 Cb 0.48 1.31 -0.01 0.00 -0.00 0.00 0.00 43.42 45.20 2klm n LEU 10 CO 0.52 -0.00 0.28 -1.10 -0.00 0.00 0.00 177.39 177.09 2klm s GLN 11 N -2.00 3.46 -0.16 1.47 1.11 -1.26 -1.17 119.66 121.10 2klm s GLN 11 Ca 0.29 -0.16 -0.11 0.00 0.01 0.00 0.00 55.36 55.38 2klm s GLN 11 Cb -0.00 -2.55 0.05 0.00 -1.01 0.00 0.00 33.01 29.50 2klm s GLN 11 CO -0.03 -0.02 0.41 -0.51 0.01 0.00 0.00 175.29 175.16 2klm s LEU 12 N -4.49 0.11 -0.26 2.90 1.43 -0.70 -4.87 118.68 112.80 2klm s LEU 12 Ca 0.43 0.87 -0.28 0.00 -1.03 0.00 0.00 54.13 54.12 2klm s LEU 12 Cb -0.10 1.38 0.01 0.00 0.03 0.00 0.00 46.19 47.51 2klm s LEU 12 CO 0.39 -0.17 1.02 -2.16 0.23 0.00 0.00 176.35 175.65 2klm s PRO 13 N 0.94 4.19 0.27 1.29 0.04 -1.26 -1.24 135.00 139.23 2klm s PRO 13 Ca -0.06 1.22 -0.30 0.00 0.04 0.00 0.00 61.00 61.90 2klm s PRO 13 Cb -0.06 -3.67 -0.14 0.00 0.04 0.00 0.00 34.50 30.67 2klm s PRO 13 CO -0.08 -0.68 1.18 0.00 0.04 0.00 0.00 177.00 177.46 2klm n ALA 14 N 6.41 0.29 -0.68 8.56 0.00 0.28 -4.31 120.51 131.06 2klm n ALA 14 Ca 0.11 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2klm n ALA 14 Cb 0.46 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.79 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 1.47 0.91 1.43 0.00 0.00 -1.26 -2.07 105.19 105.66 2klm n GLY 15 Ca 0.10 -0.70 -0.01 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 -1.51 -3.64 1.61 4.81 -1.26 -4.85 118.16 113.31 2klm n LYS 16 Ca 0.00 0.04 -0.23 0.00 -0.87 0.00 0.00 58.31 57.25 2klm n LYS 16 Cb 0.00 -4.18 -0.02 0.00 0.02 0.00 0.00 35.03 30.85 2klm n LYS 16 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2klm s ALA 17 N -1.31 3.80 0.12 3.14 0.00 -1.26 -4.95 121.76 121.30 2klm s ALA 17 Ca 0.00 -1.03 -0.26 0.00 0.00 0.00 0.00 51.96 50.67 2klm s ALA 17 Cb 0.00 -1.95 0.07 0.00 0.00 0.00 0.00 23.12 21.24 2klm s ALA 17 CO 0.00 0.12 0.92 0.95 0.00 0.00 0.00 175.76 177.75 2klm s THR 18 N -2.15 0.00 0.00 0.00 -4.23 -1.26 -5.01 115.64 103.00 2klm s THR 18 Ca 0.37 -0.51 -0.00 0.00 -1.18 0.00 0.00 61.69 60.38 2klm s THR 18 Cb -0.09 -1.73 -0.00 0.00 1.34 0.00 0.00 72.50 72.01 2klm s THR 18 CO 0.33 0.00 0.25 -2.65 -0.54 0.00 0.00 174.62 172.01 2klm n PRO 19 N -0.42 0.12 -2.80 3.99 -0.02 -1.26 -3.48 135.00 131.14 2klm n PRO 19 Ca -0.07 -0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.30 2klm n PRO 19 Cb 0.61 -1.44 0.04 0.00 -0.02 0.00 0.00 33.50 32.69 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 1.97 2.22 -1.89 3.55 0.00 -1.26 -5.06 120.51 120.03 2klm n ALA 20 Ca 0.00 -2.64 -0.30 0.00 0.00 0.00 0.00 53.44 50.50 2klm n ALA 20 Cb 0.06 -0.97 0.05 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.94 2.69 0.57 0.00 0.04 -1.23 -4.94 135.00 130.20 2klm s PRO 21 Ca 0.28 0.38 0.30 0.00 0.04 0.00 0.00 61.00 62.00 2klm s PRO 21 Cb 0.41 -2.01 1.75 0.00 0.04 0.00 0.00 34.50 34.68 2klm s PRO 21 CO -0.02 -1.14 2.21 -1.00 0.04 0.00 0.00 177.00 177.09 2klm h PRO 22 N -0.72 0.00 0.00 0.56 0.13 -1.99 -3.21 132.00 126.77 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 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2klm h PRO 22 CO 0.64 0.03 -0.06 0.28 -0.23 0.00 0.00 178.00 178.66 2klm h VAL 23 N 0.00 0.00 0.00 1.56 2.07 -1.98 -3.47 116.25 114.43 2klm h VAL 23 Ca -0.00 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2klm h VAL 23 Cb 0.10 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.87 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 0.52 0.40 2.17 0.00 -1.21 -0.96 105.19 107.95 2klm n GLY 24 Ca -0.01 0.72 -0.14 0.00 0.00 0.00 0.00 46.02 46.59 2klm n GLY 24 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2klm h PRO 25 N 0.00 -0.62 0.00 1.61 0.13 -1.90 1.49 132.00 132.71 2klm h PRO 25 Ca 0.00 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2klm h PRO 25 Cb 0.00 0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.27 2klm h PRO 25 CO 0.00 -0.41 0.70 0.00 -0.23 0.00 0.00 178.00 178.06 2klm h ALA 26 N -0.14 1.57 0.00 -0.56 0.00 -1.40 0.58 119.26 119.31 2klm h ALA 26 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 2klm h ALA 26 Cb 0.67 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2klm h ALA 26 CO -0.22 -0.57 -1.57 -0.11 0.00 0.00 0.00 179.25 176.78 2klm n LEU 27 N -2.11 2.40 0.03 0.00 7.94 0.35 -4.71 117.00 120.89 2klm n LEU 27 Ca -0.00 -0.04 -0.12 0.00 -1.11 0.00 0.00 56.01 54.74 2klm n LEU 27 Cb 0.71 -0.25 -0.07 0.00 0.53 0.00 0.00 43.42 44.35 2klm n LEU 27 CO 0.02 0.58 0.88 1.23 -1.11 0.00 0.00 177.39 178.99 2klm h GLY 28 N 0.93 0.04 -1.67 -3.96 0.00 0.73 -2.44 103.07 96.71 2klm h GLY 28 Ca -0.22 -0.02 0.52 0.00 0.00 0.00 0.00 47.33 47.61 2klm h GLY 28 CO -0.03 0.02 1.33 1.46 0.00 0.00 0.00 176.54 179.32 2klm h GLN 29 N 0.03 0.00 -1.14 4.80 1.08 -1.34 0.99 115.11 119.54 2klm h GLN 29 Ca 0.01 0.00 0.35 0.00 -1.45 0.00 0.00 58.65 57.56 2klm h GLN 29 Cb 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 27.48 27.30 2klm h GLN 29 CO -0.00 0.00 0.71 0.45 -0.95 0.00 0.00 178.83 179.03 2klm h HIS 30 N 0.00 0.69 0.00 2.96 3.86 -1.68 -3.44 115.15 117.55 2klm h HIS 30 Ca 0.85 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 60.09 2klm h HIS 30 Cb 3.51 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 31.79 2klm h HIS 30 CO 0.00 -0.13 0.00 0.41 0.86 0.00 0.00 177.93 179.07 2klm n GLY 31 N -1.43 3.33 0.00 2.45 0.00 0.34 -5.03 105.19 104.85 2klm n GLY 31 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.33 0.00 -3.65 4.61 0.00 -1.26 -4.95 120.51 113.93 2klm n ALA 32 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 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 -2.65 2.95 0.00 0.00 0.01 -1.26 -5.05 114.94 108.94 2klm s ASN 33 Ca 0.00 -0.93 0.00 0.00 -0.71 0.00 0.00 52.86 51.22 2klm s ASN 33 Cb 0.00 -0.44 0.00 0.00 0.41 0.00 0.00 41.25 41.22 2klm s ASN 33 CO 0.00 -0.36 0.97 -0.38 -1.51 0.00 0.00 177.10 175.82 2klm n ILE 34 N 5.16 0.00 -0.31 0.60 2.08 -1.26 -0.77 119.36 124.85 2klm n ILE 34 Ca -0.07 1.47 0.30 0.00 0.56 0.00 0.00 62.75 65.01 2klm n ILE 34 Cb 0.46 -2.28 0.56 0.00 -0.75 0.00 0.00 39.64 37.63 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 -2.28 -0.06 -0.08 0.38 1.56 -1.26 0.27 117.12 115.65 2klm n MET 35 Ca 0.00 1.36 -0.09 0.00 -0.27 0.00 0.00 57.70 58.69 2klm n MET 35 Cb 0.00 -2.42 -0.02 0.00 2.15 0.00 0.00 33.22 32.93 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 0.39 0.04 2.12 4.81 -1.76 1.00 114.58 121.19 2klm h GLU 36 Ca 0.82 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 60.01 2klm h GLU 36 Cb 2.13 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 31.41 2klm h GLU 36 CO -0.76 0.33 -0.27 0.35 -0.73 0.00 0.00 179.01 177.93 2klm h PHE 37 N 0.35 -0.77 -0.63 0.92 3.57 0.59 -1.40 116.94 119.57 2klm h PHE 37 Ca 0.10 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.67 2klm h PHE 37 Cb 0.04 0.33 -0.05 0.00 2.79 0.00 0.00 35.95 39.06 2klm h PHE 37 CO -0.04 -0.29 0.36 0.28 -2.23 0.00 0.00 178.31 176.39 2klm h VAL 38 N -0.36 1.00 -0.19 1.41 2.07 -1.10 -1.42 116.25 117.66 2klm h VAL 38 Ca -0.00 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.31 2klm h VAL 38 Cb 0.37 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 2klm h VAL 38 CO -0.16 0.12 -0.29 0.11 0.02 0.00 0.00 177.57 177.38 2klm h LYS 39 N 0.68 -0.21 -0.94 1.57 1.79 0.14 2.08 116.57 121.67 2klm h LYS 39 Ca 0.27 0.01 0.10 0.00 -2.18 0.00 0.00 60.65 58.85 2klm h LYS 39 Cb 0.13 0.05 -0.07 0.00 -1.58 0.00 0.00 32.23 30.75 2klm h LYS 39 CO -0.15 -0.14 0.61 0.00 -1.08 0.00 0.00 179.45 178.68 2klm h ALA 40 N -0.68 1.56 -1.92 3.86 0.00 -1.02 0.94 119.26 122.01 2klm h ALA 40 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2klm h ALA 40 Cb 0.32 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2klm h ALA 40 CO -0.30 0.25 0.00 0.34 0.00 0.00 0.00 179.25 179.54 2klm n PHE 41 N -4.54 0.00 -0.33 0.00 7.35 -0.04 -1.41 117.46 118.49 2klm n PHE 41 Ca 0.16 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 57.02 2klm n PHE 41 Cb 0.30 -0.18 0.33 0.00 0.35 0.00 0.00 39.48 40.27 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 -0.66 -2.13 -0.73 0.34 0.79 115.58 112.87 2klm h ASN 42 Ca 0.00 0.27 0.04 0.00 1.87 0.00 0.00 56.30 58.48 2klm h ASN 42 Cb 0.00 0.43 -0.04 0.00 0.27 0.00 0.00 38.32 38.98 2klm h ASN 42 CO 0.00 -0.34 0.44 0.00 -0.37 0.00 0.00 177.43 177.16 2klm h ALA 43 N 1.96 1.67 0.13 1.57 0.00 0.90 2.06 119.26 127.54 2klm h ALA 43 Ca 0.62 -0.03 -0.29 0.00 0.00 0.00 0.00 54.91 55.21 2klm h ALA 43 Cb 1.34 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 2klm h ALA 43 CO -0.87 0.25 -1.49 0.00 0.00 0.00 0.00 179.25 177.14 2klm h ALA 44 N 1.62 0.19 0.00 0.00 0.00 0.16 -1.55 119.26 119.68 2klm h ALA 44 Ca 0.27 -1.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.06 2klm h ALA 44 Cb 0.13 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2klm h ALA 44 CO -0.08 0.88 -0.05 1.79 0.00 0.00 0.00 179.25 181.80 2klm h THR 45 N -0.23 0.16 0.17 0.00 1.35 -0.11 -0.07 112.91 114.18 2klm h THR 45 Ca -0.32 -0.49 -0.32 0.00 -0.55 0.00 0.00 66.41 64.74 2klm h THR 45 Cb 1.82 1.41 0.01 0.00 -1.73 0.00 0.00 68.15 69.67 2klm h THR 45 CO 0.08 0.05 -1.50 0.00 -0.25 0.00 0.00 175.52 173.89 2klm h ALA 46 N 1.95 0.09 0.00 6.62 0.00 0.33 1.65 119.26 129.91 2klm h ALA 46 Ca -0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 54.91 53.90 2klm h ALA 46 Cb 0.41 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2klm h ALA 46 CO 0.01 0.96 -0.04 -0.91 0.00 0.00 0.00 179.25 179.26 2klm h ASN 47 N 0.10 0.00 0.00 0.00 2.35 -0.18 -2.97 115.58 114.88 2klm h ASN 47 Ca -0.24 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.29 2klm h ASN 47 Cb 2.07 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 40.40 2klm h ASN 47 CO 0.21 0.04 -1.85 1.15 -1.65 0.00 0.00 177.43 175.33 2klm n MET 48 N -3.26 1.82 0.00 0.81 0.00 -0.15 -5.07 117.12 111.27 2klm n MET 48 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 57.70 57.67 2klm n MET 48 Cb 0.22 -1.33 0.00 0.00 0.00 0.00 0.00 33.22 32.11 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 2.18 2.25 3.77 3.17 0.00 0.56 -4.98 105.19 112.14 2klm n GLY 49 Ca -0.19 -2.15 -0.39 0.00 0.00 0.00 0.00 46.02 43.29 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 7.14 0.00 1.61 -4.77 -1.25 -4.34 116.67 115.06 2klm s ASP 50 Ca 0.00 2.13 0.00 0.00 -3.30 0.00 0.00 52.55 51.38 2klm s ASP 50 Cb 0.00 -2.61 0.00 0.00 -1.09 0.00 0.00 42.92 39.22 2klm s ASP 50 CO 0.00 -0.22 0.00 0.00 0.70 0.00 0.00 175.17 175.65 2klm n ALA 51 N 0.76 0.00 -3.24 2.11 0.00 -0.88 -4.89 120.51 114.37 2klm n ALA 51 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.32 2klm n ALA 51 Cb 0.47 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.77 2klm n ALA 51 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2klm s ILE 52 N -1.02 -0.01 -0.07 0.00 -1.16 -1.26 0.99 121.20 118.68 2klm s ILE 52 Ca 0.00 0.08 -0.04 0.00 -0.51 0.00 0.00 60.65 60.18 2klm s ILE 52 Cb 0.00 -0.05 0.03 0.00 0.61 0.00 0.00 42.46 43.05 2klm s ILE 52 CO 0.00 0.04 0.17 -0.69 -2.81 0.00 0.00 174.94 171.65 2klm s VAL 53 N 0.45 -0.03 0.07 4.00 1.01 -0.37 -4.82 120.40 120.71 2klm s VAL 53 Ca -0.04 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.76 2klm s VAL 53 Cb -0.05 -0.26 -0.05 0.00 0.00 0.00 0.00 36.38 36.01 2klm s VAL 53 CO -0.01 0.05 1.07 -2.16 0.00 0.00 0.00 175.10 174.05 2klm s PRO 54 N 0.83 4.55 0.04 2.72 0.04 -1.26 -1.71 135.00 140.21 2klm s PRO 54 Ca -0.06 1.60 -0.01 0.00 0.04 0.00 0.00 61.00 62.56 2klm s PRO 54 Cb -0.08 -3.37 -0.03 0.00 0.04 0.00 0.00 34.50 31.06 2klm s PRO 54 CO -0.04 -0.05 -0.01 0.54 0.04 0.00 0.00 177.00 177.48 2klm s VAL 55 N 0.60 0.18 -0.51 -0.36 0.11 -0.32 -4.97 120.40 115.13 2klm s VAL 55 Ca 0.53 -1.50 0.04 0.00 -2.93 0.00 0.00 61.98 58.12 2klm s VAL 55 Cb -0.26 -1.14 0.16 0.00 -1.53 0.00 0.00 36.38 33.62 2klm s VAL 55 CO 0.30 -0.83 0.37 -1.61 -3.33 0.00 0.00 175.10 170.00 2klm s GLU 56 N -3.17 1.48 -0.76 1.54 2.02 -1.25 -1.30 118.70 117.26 2klm s GLU 56 Ca -0.00 -2.47 -0.24 0.00 0.02 0.00 0.00 54.97 52.28 2klm s GLU 56 Cb 0.02 -2.26 -0.17 0.00 0.10 0.00 0.00 34.13 31.83 2klm s GLU 56 CO -0.07 -1.30 2.42 -0.89 0.02 0.00 0.00 175.26 175.44 2klm n ILE 57 N 2.73 -0.03 -2.38 -1.63 5.41 -0.62 -4.61 119.36 118.23 2klm n ILE 57 Ca 0.22 -0.51 -0.41 0.00 1.00 0.00 0.00 62.75 63.05 2klm n ILE 57 Cb 0.41 -1.66 -0.03 0.00 -0.71 0.00 0.00 39.64 37.64 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 10.46 3.67 -0.23 1.39 -4.23 -0.51 -1.40 115.64 124.78 2klm s THR 58 Ca 1.09 0.47 -0.08 0.00 -1.18 0.00 0.00 61.69 61.99 2klm s THR 58 Cb -0.47 -4.53 -0.04 0.00 1.34 0.00 0.00 72.50 68.81 2klm s THR 58 CO 0.30 -1.39 0.08 -0.63 -0.54 0.00 0.00 174.62 172.44 2klm s ILE 59 N 6.58 4.63 -0.04 2.99 1.01 0.12 0.08 121.20 136.57 2klm s ILE 59 Ca 0.48 -0.07 -0.04 0.00 0.00 0.00 0.00 60.65 61.02 2klm s ILE 59 Cb -0.10 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 2klm s ILE 59 CO 0.20 0.37 0.17 -0.31 0.00 0.00 0.00 174.94 175.37 2klm s TYR 60 N 1.18 3.57 0.64 3.97 1.51 -0.20 -1.73 117.35 126.28 2klm s TYR 60 Ca 0.05 0.41 0.31 0.00 -1.01 0.00 0.00 57.07 56.83 2klm s TYR 60 Cb -0.14 -1.86 1.70 0.00 -0.11 0.00 0.00 41.96 41.55 2klm s TYR 60 CO 0.04 0.67 2.01 0.00 -1.11 0.00 0.00 175.55 177.16 2klm h ALA 61 N 4.16 1.55 0.00 3.71 0.00 -1.62 0.69 119.26 127.75 2klm h ALA 61 Ca -0.51 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2klm h ALA 61 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2klm h ALA 61 CO 0.66 -0.36 0.00 -0.25 0.00 0.00 0.00 179.25 179.30 2klm n ASP 62 N -3.26 0.00 -2.70 0.00 8.00 -1.26 -4.77 116.55 112.56 2klm n ASP 62 Ca 0.01 -0.49 -0.01 0.00 0.71 0.00 0.00 54.79 55.00 2klm n ASP 62 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 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 -0.68 -1.11 -3.70 -1.24 1.74 0.23 -5.06 116.66 106.84 2klm n ARG 63 Ca 0.03 1.33 -0.12 0.00 -0.77 0.00 0.00 57.85 58.31 2klm n ARG 63 Cb 0.01 -4.82 -0.12 0.00 -1.02 0.00 0.00 32.46 26.51 2klm n ARG 63 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2klm s SER 64 N -2.72 -0.12 -0.48 0.55 0.15 -0.87 -4.97 113.70 105.24 2klm s SER 64 Ca 0.02 0.64 -0.12 0.00 0.70 0.00 0.00 55.95 57.19 2klm s SER 64 Cb -0.01 0.63 0.10 0.00 -1.71 0.00 0.00 66.02 65.04 2klm s SER 64 CO 0.59 -0.20 0.37 -0.36 1.20 0.00 0.00 173.24 174.84 2klm s PHE 65 N 1.74 3.32 -0.20 3.44 0.40 -1.26 -1.03 117.98 124.39 2klm s PHE 65 Ca -0.06 -1.44 -0.20 0.00 -0.60 0.00 0.00 56.93 54.64 2klm s PHE 65 Cb -0.11 -3.37 -0.03 0.00 0.51 0.00 0.00 43.02 40.02 2klm s PHE 65 CO -0.10 -0.92 0.57 0.99 0.70 0.00 0.00 175.22 176.46 2klm s THR 66 N 1.50 5.07 0.00 0.64 2.01 0.11 -4.91 115.64 120.06 2klm s THR 66 Ca 0.04 1.06 0.00 0.00 0.31 0.00 0.00 61.69 63.10 2klm s THR 66 Cb -0.26 -3.89 0.00 0.00 0.01 0.00 0.00 72.50 68.36 2klm s THR 66 CO 0.02 0.15 0.00 0.33 -0.69 0.00 0.00 174.62 174.43 2klm n PHE 67 N 4.89 0.00 -3.70 4.92 7.35 -1.26 -1.43 117.46 128.23 2klm n PHE 67 Ca -0.03 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.55 2klm n PHE 67 Cb 0.50 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 40.22 2klm n PHE 67 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 2klm s VAL 68 N 0.00 -0.02 0.05 -2.13 1.01 -1.26 -5.01 120.40 113.04 2klm s VAL 68 Ca 0.00 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.08 2klm s VAL 68 Cb 0.00 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 2klm s VAL 68 CO 0.00 0.03 -0.09 0.42 0.00 0.00 0.00 175.10 175.47 2klm s THR 69 N 1.17 0.63 0.00 3.92 -4.23 -1.26 -5.14 115.64 110.73 2klm s THR 69 Ca -0.08 -1.19 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 2klm s THR 69 Cb -0.07 -0.77 0.00 0.00 1.34 0.00 0.00 72.50 73.00 2klm s THR 69 CO -0.10 -0.40 0.00 2.29 -0.54 0.00 0.00 174.62 175.87 2klm n LYS 70 N 1.30 0.00 -1.47 3.99 2.85 -1.26 -4.87 118.16 118.69 2klm n LYS 70 Ca -0.22 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.04 2klm n LYS 70 Cb 0.55 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.93 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 0.00 -0.98 -0.71 0.58 -1.04 -1.26 -5.04 114.28 105.83 2klm n THR 71 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 2klm n THR 71 Cb 0.00 -2.95 0.06 0.00 -1.82 0.00 0.00 70.33 65.62 2klm n THR 71 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2klm n PRO 72 N -1.47 -0.79 0.12 -2.82 -0.02 -1.26 -4.85 135.00 123.90 2klm n PRO 72 Ca 0.00 -0.23 -0.13 0.00 -2.02 0.00 0.00 63.50 61.11 2klm n PRO 72 Cb 0.49 -1.17 -0.06 0.00 -0.02 0.00 0.00 33.50 32.74 2klm n PRO 72 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2klm h PRO 73 N -2.09 -0.52 0.00 0.52 0.11 -1.99 -3.43 132.00 124.61 2klm h PRO 73 Ca -0.15 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.00 2klm h PRO 73 Cb 0.49 0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.72 2klm h PRO 73 CO 0.09 -0.35 0.00 0.00 -0.21 0.00 0.00 178.00 177.53 2klm n ALA 74 N -2.68 2.02 0.22 -0.75 0.00 -1.26 -4.86 120.51 113.20 2klm n ALA 74 Ca -0.07 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.40 2klm n ALA 74 Cb 0.32 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.82 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 -2.84 0.00 -0.12 0.00 3.41 -1.26 -1.53 113.62 111.28 2klm n SER 75 Ca 0.00 0.44 -0.03 0.00 -0.26 0.00 0.00 58.87 59.02 2klm n SER 75 Cb 0.00 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 63.89 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 -0.55 0.00 7.33 3.20 -1.89 -1.82 116.97 123.24 2klm h TYR 76 Ca 0.05 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.96 2klm h TYR 76 Cb 1.76 0.27 0.00 0.00 1.54 0.00 0.00 36.73 40.31 2klm h TYR 76 CO 0.00 -0.11 -1.49 -0.11 -1.64 0.00 0.00 178.16 174.81 2klm n LEU 77 N -3.64 0.00 -0.30 2.82 0.00 -0.66 -4.48 117.00 110.74 2klm n LEU 77 Ca 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 56.01 56.04 2klm n LEU 77 Cb 0.08 0.00 0.16 0.00 0.00 0.00 0.00 43.42 43.66 2klm n LEU 77 CO -0.04 0.00 1.15 0.40 0.00 0.00 0.00 177.39 178.90 2klm h ILE 78 N 0.00 0.94 -1.04 1.96 2.04 -1.29 -0.47 117.51 119.65 2klm h ILE 78 Ca 0.00 -0.29 0.34 0.00 1.00 0.00 0.00 64.86 65.91 2klm h ILE 78 Cb 0.49 0.03 -0.14 0.00 -0.74 0.00 0.00 36.82 36.46 2klm h ILE 78 CO 0.00 0.15 0.61 0.03 0.00 0.00 0.00 178.15 178.94 2klm h ARG 79 N 0.84 0.28 0.00 2.37 2.47 -1.53 1.67 114.38 120.48 2klm h ARG 79 Ca 0.39 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.10 2klm h ARG 79 Cb 0.32 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 2klm h ARG 79 CO -0.23 0.19 -0.09 -0.22 0.56 0.00 0.00 179.97 180.18 2klm h LYS 80 N 0.29 0.00 -0.15 0.04 3.64 -1.38 -2.57 116.57 116.44 2klm h LYS 80 Ca 0.74 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 60.16 2klm h LYS 80 Cb 1.79 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.61 2klm h LYS 80 CO -0.57 0.00 0.31 0.00 -2.27 0.00 0.00 179.45 176.92 2klm h ALA 81 N -1.04 1.62 -2.63 5.00 0.00 -0.64 -3.21 119.26 118.36 2klm h ALA 81 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2klm h ALA 81 Cb 0.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2klm h ALA 81 CO 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 179.25 178.86 2klm n ALA 82 N -2.12 0.00 0.00 0.00 0.00 0.56 -4.45 120.51 114.50 2klm n ALA 82 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2klm n ALA 82 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 2.42 0.48 3.53 0.00 0.00 -0.97 -4.30 105.19 106.35 2klm n GLY 83 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 4.52 0.00 0.99 1.43 -1.21 -4.88 118.68 119.53 2klm s LEU 84 Ca 0.00 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 2klm s LEU 84 Cb 0.00 -2.53 0.00 0.00 0.03 0.00 0.00 46.19 43.69 2klm s LEU 84 CO 0.00 -0.54 0.00 1.21 0.23 0.00 0.00 176.35 177.25 2klm n GLU 85 N 5.75 0.00 -0.17 1.70 2.13 -1.26 -4.71 120.64 124.07 2klm n GLU 85 Ca -0.05 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.68 2klm n GLU 85 Cb 0.48 -0.11 0.01 0.00 0.27 0.00 0.00 31.44 32.10 2klm n GLU 85 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2klm h LYS 86 N 0.00 0.75 0.00 5.31 1.79 -2.04 -3.49 116.57 118.89 2klm h LYS 86 Ca 0.00 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 2klm h LYS 86 Cb 0.00 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.53 2klm h LYS 86 CO 0.00 0.68 0.00 0.41 -1.08 0.00 0.00 179.45 179.46 2klm n GLY 87 N -0.77 0.68 3.89 3.86 0.00 -1.26 -5.08 105.19 106.50 2klm n GLY 87 Ca 0.02 -1.93 -0.29 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.42 3.28 0.12 4.61 0.00 -1.26 -5.07 121.76 122.03 2klm s ALA 88 Ca 0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 51.96 51.63 2klm s ALA 88 Cb 0.00 -2.79 0.02 0.00 0.00 0.00 0.00 23.12 20.35 2klm s ALA 88 CO 0.00 -0.38 0.23 -2.39 0.00 0.00 0.00 175.76 173.22 2klm n HIS 89 N -2.19 -1.32 -1.20 0.00 -0.00 -1.26 -5.15 115.22 104.10 2klm n HIS 89 Ca 0.03 -0.62 -0.36 0.00 -0.00 0.00 0.00 57.72 56.77 2klm n HIS 89 Cb 0.54 0.27 0.07 0.00 -0.00 0.00 0.00 29.99 30.88 2klm n HIS 89 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 2klm n LYS 90 N -0.17 0.21 -1.58 -1.40 2.85 -1.26 -4.83 118.16 111.97 2klm n LYS 90 Ca -0.02 0.11 -0.41 0.00 -1.05 0.00 0.00 58.31 56.93 2klm n LYS 90 Cb 0.19 -1.71 0.01 0.00 -0.65 0.00 0.00 35.03 32.87 2klm n LYS 90 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 2klm n PRO 91 N -0.42 1.18 -3.83 -1.58 -0.02 -1.26 -5.01 135.00 124.07 2klm n PRO 91 Ca 0.09 0.43 -0.10 0.00 -2.02 0.00 0.00 63.50 61.90 2klm n PRO 91 Cb 0.50 -1.96 -0.05 0.00 -0.02 0.00 0.00 33.50 31.97 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 -0.82 0.13 0.00 -1.23 0.00 -1.26 -5.04 107.32 99.11 2klm s GLY 92 Ca 0.64 -0.50 0.22 0.00 0.00 0.00 0.00 44.72 45.08 2klm s GLY 92 CO 0.56 -0.52 1.45 0.54 0.00 0.00 0.00 173.10 175.12 2klm n ARG 93 N -0.27 2.26 -0.03 2.90 5.12 -1.26 -4.22 116.66 121.16 2klm n ARG 93 Ca -0.10 -1.91 -0.03 0.00 -1.93 0.00 0.00 57.85 53.89 2klm n ARG 93 Cb 0.63 -1.47 0.21 0.00 -1.16 0.00 0.00 32.46 30.67 2klm n ARG 93 CO 0.00 0.00 0.00 1.05 -1.93 0.00 0.00 177.63 176.75 2klm h GLU 94 N 3.64 0.61 -4.43 5.56 9.09 -2.00 -3.48 114.58 123.57 2klm h GLU 94 Ca 0.00 -0.17 0.00 0.00 0.05 0.00 0.00 59.36 59.24 2klm h GLU 94 Cb 0.81 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 27.84 2klm h GLU 94 CO 0.00 0.69 -0.82 1.63 0.05 0.00 0.00 179.01 180.56 2klm n LYS 95 N -4.20 -4.60 -4.10 1.06 5.02 -1.26 -5.06 118.16 105.02 2klm n LYS 95 Ca 0.01 3.28 -0.08 0.00 -2.02 0.00 0.00 58.31 59.50 2klm n LYS 95 Cb 0.32 -3.91 -0.10 0.00 -0.02 0.00 0.00 35.03 31.32 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 -0.47 0.34 0.00 -0.18 0.11 -1.26 -5.05 120.40 113.89 2klm s VAL 96 Ca 0.00 -1.76 0.00 0.00 -2.93 0.00 0.00 61.98 57.29 2klm s VAL 96 Cb 0.00 -1.45 0.00 0.00 -1.53 0.00 0.00 36.38 33.40 2klm s VAL 96 CO 0.00 -0.92 0.00 0.61 -3.33 0.00 0.00 175.10 171.46 2klm n GLY 97 N 0.22 0.51 2.67 6.54 0.00 -1.26 -4.75 105.19 109.12 2klm n GLY 97 Ca -0.14 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.43 0.49 0.07 1.61 3.52 -1.26 -1.62 118.95 121.33 2klm s ARG 98 Ca 0.00 -0.59 0.04 0.00 -0.13 0.00 0.00 55.73 55.05 2klm s ARG 98 Cb 0.00 -1.81 -0.04 0.00 -1.56 0.00 0.00 34.95 31.54 2klm s ARG 98 CO 0.00 -0.83 -0.02 0.96 -0.81 0.00 0.00 175.30 174.60 2klm s ILE 99 N 1.88 3.91 0.45 4.11 -4.36 -1.11 -4.68 121.20 121.40 2klm s ILE 99 Ca 0.05 -0.94 -0.04 0.00 -0.26 0.00 0.00 60.65 59.46 2klm s ILE 99 Cb -0.17 -2.82 -0.03 0.00 1.25 0.00 0.00 42.46 40.69 2klm s ILE 99 CO -0.20 0.19 0.73 0.42 0.24 0.00 0.00 174.94 176.32 2klm s THR 100 N -1.23 4.89 0.07 8.37 -4.23 -1.26 -1.64 115.64 120.61 2klm s THR 100 Ca 0.23 0.02 -0.29 0.00 -1.18 0.00 0.00 61.69 60.47 2klm s THR 100 Cb -0.12 -3.84 -0.17 0.00 1.34 0.00 0.00 72.50 69.71 2klm s THR 100 CO 0.15 -0.76 1.64 -0.25 -0.54 0.00 0.00 174.62 174.87 2klm h TRP 101 N 0.34 -0.52 -0.66 3.99 2.91 -1.92 -2.05 115.95 118.05 2klm h TRP 101 Ca -0.48 -0.01 0.01 0.00 1.13 0.00 0.00 58.89 59.54 2klm h TRP 101 Cb 1.21 0.17 -0.03 0.00 -0.51 0.00 0.00 29.16 30.00 2klm h TRP 101 CO 0.56 -0.31 0.43 1.49 -1.03 0.00 0.00 178.44 179.58 2klm h GLU 102 N -0.58 0.86 -0.48 2.65 4.57 -1.99 -1.49 114.58 118.12 2klm h GLU 102 Ca -0.06 -0.05 0.02 0.00 -1.18 0.00 0.00 59.36 58.09 2klm h GLU 102 Cb 0.44 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 2klm h GLU 102 CO 0.09 0.57 0.29 1.96 -1.18 0.00 0.00 179.01 180.75 2klm h GLN 103 N 0.89 0.57 -0.12 1.92 4.20 -1.95 -0.50 115.11 120.12 2klm h GLN 103 Ca 0.24 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.86 2klm h GLN 103 Cb -0.10 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.54 2klm h GLN 103 CO -0.05 0.38 -0.18 -0.39 -0.67 0.00 0.00 178.83 177.91 2klm h VAL 104 N 0.58 1.19 0.25 -0.54 -1.51 -1.06 -1.62 116.25 113.55 2klm h VAL 104 Ca 0.19 -0.87 -0.01 0.00 -1.23 0.00 0.00 66.70 64.78 2klm h VAL 104 Cb -0.01 1.31 0.00 0.00 -2.13 0.00 0.00 31.29 30.46 2klm h VAL 104 CO -0.08 0.26 -0.12 -0.07 -1.23 0.00 0.00 177.57 176.34 2klm h LEU 105 N 0.18 -0.28 -0.97 4.19 3.38 -0.09 0.49 115.31 122.21 2klm h LEU 105 Ca 0.03 0.01 0.30 0.00 0.09 0.00 0.00 57.88 58.32 2klm h LEU 105 Cb 0.43 0.07 -0.15 0.00 0.09 0.00 0.00 40.66 41.10 2klm h LEU 105 CO 0.03 -0.19 0.45 -0.08 0.09 0.00 0.00 178.44 178.73 2klm h GLU 106 N -0.36 0.24 0.00 1.13 4.81 -1.11 2.70 114.58 121.99 2klm h GLU 106 Ca -0.03 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.11 2klm h GLU 106 Cb 0.26 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2klm h GLU 106 CO 0.06 0.16 -0.33 0.82 -0.73 0.00 0.00 179.01 178.99 2klm h ILE 107 N 0.25 1.15 -0.01 2.32 2.04 -1.05 -1.98 117.51 120.23 2klm h ILE 107 Ca 0.69 -1.15 0.00 0.00 1.00 0.00 0.00 64.86 65.40 2klm h ILE 107 Cb 1.54 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 39.25 2klm h ILE 107 CO -0.65 0.32 -0.19 0.00 0.00 0.00 0.00 178.15 177.63 2klm n ALA 108 N -2.44 2.95 -0.27 1.87 0.00 0.84 -3.92 120.51 119.55 2klm n ALA 108 Ca -0.02 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2klm n ALA 108 Cb 0.38 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.74 2klm n ALA 108 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2klm n LYS 109 N -0.24 0.00 0.00 0.00 5.02 0.24 -4.11 118.16 119.07 2klm n LYS 109 Ca 0.14 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 2klm n LYS 109 Cb 0.38 -0.72 0.03 0.00 -0.02 0.00 0.00 35.03 34.69 2klm n LYS 109 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2klm n GLN 110 N -1.77 0.03 0.19 1.97 6.02 -1.16 -2.14 117.38 120.52 2klm n GLN 110 Ca 0.00 0.04 0.14 0.00 -0.01 0.00 0.00 57.00 57.18 2klm n GLN 110 Cb 0.00 -1.50 0.60 0.00 1.02 0.00 0.00 30.24 30.36 2klm n GLN 110 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.06 177.62 2klm h LYS 111 N 0.00 0.00 -2.17 -1.09 5.09 -1.71 -3.32 116.57 113.38 2klm h LYS 111 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 60.65 60.15 2klm h LYS 111 Cb 0.00 0.00 -0.41 0.00 0.10 0.00 0.00 32.23 31.92 2klm h LYS 111 CO 0.00 0.00 -0.69 0.00 -2.09 0.00 0.00 179.45 176.67 2klm n MET 112 N -2.57 2.17 -0.35 0.07 0.00 -0.91 -4.91 117.12 110.63 2klm n MET 112 Ca 0.01 -4.39 0.08 0.00 0.00 0.00 0.00 57.70 53.40 2klm n MET 112 Cb 0.23 -2.06 0.24 0.00 0.00 0.00 0.00 33.22 31.64 2klm n MET 112 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 175.97 174.62 2klm h PRO 113 N 4.16 0.87 0.00 3.17 0.11 -1.83 -3.32 132.00 135.15 2klm h PRO 113 Ca 0.17 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.23 2klm h PRO 113 Cb 0.70 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.62 2klm h PRO 113 CO 0.76 0.58 -0.13 -0.25 -0.21 0.00 0.00 178.00 178.76 2klm n ASP 114 N -4.68 0.00 -4.78 -2.05 8.00 -1.26 -5.12 116.55 106.65 2klm n ASP 114 Ca 0.19 -1.25 -0.31 0.00 0.71 0.00 0.00 54.79 54.13 2klm n ASP 114 Cb 0.39 -0.05 0.08 0.00 -0.02 0.00 0.00 41.12 41.53 2klm n ASP 114 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2klm s LEU 115 N 0.00 2.99 -0.82 0.64 1.02 -1.25 -4.86 118.68 116.40 2klm s LEU 115 Ca 0.00 1.73 -0.13 0.00 0.02 0.00 0.00 54.13 55.75 2klm s LEU 115 Cb 0.00 -4.45 -0.10 0.00 0.02 0.00 0.00 46.19 41.66 2klm s LEU 115 CO 0.00 -1.93 1.99 -0.46 0.02 0.00 0.00 176.35 175.97 2klm n ASN 116 N -3.45 3.64 -3.63 2.29 2.04 -1.26 -4.75 115.26 110.14 2klm n ASN 116 Ca 0.08 -2.48 -0.13 0.00 -0.44 0.00 0.00 54.58 51.62 2klm n ASN 116 Cb 0.53 -1.08 -0.07 0.00 -2.53 0.00 0.00 39.78 36.63 2klm n ASN 116 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 2klm s THR 117 N 4.21 0.00 0.00 5.53 2.01 -1.26 -5.03 115.64 121.10 2klm s THR 117 Ca 0.47 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.47 2klm s THR 117 Cb 0.12 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.63 2klm s THR 117 CO 0.04 0.00 0.00 1.07 -0.69 0.00 0.00 174.62 175.04 2klm n THR 118 N 2.56 0.00 -3.16 -0.82 5.66 -1.26 -4.93 114.28 112.33 2klm n THR 118 Ca -0.14 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.47 2klm n THR 118 Cb 0.55 0.80 -0.06 0.00 -1.55 0.00 0.00 70.33 70.07 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 0.00 6.67 0.18 1.09 1.01 -1.26 -4.96 116.67 119.40 2klm s ASP 119 Ca 0.00 0.81 -0.12 0.00 0.71 0.00 0.00 52.55 53.95 2klm s ASP 119 Cb 0.00 -2.33 0.09 0.00 1.01 0.00 0.00 42.92 41.69 2klm s ASP 119 CO 0.00 -0.22 1.78 -0.07 0.21 0.00 0.00 175.17 176.86 2klm h LEU 120 N 7.96 0.80 -1.34 1.23 3.38 -1.98 -2.13 115.31 123.22 2klm h LEU 120 Ca -0.33 -0.12 0.07 0.00 0.09 0.00 0.00 57.88 57.59 2klm h LEU 120 Cb 1.15 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.65 2klm h LEU 120 CO 0.76 0.69 0.50 1.05 0.09 0.00 0.00 178.44 181.53 2klm h GLU 121 N 0.85 0.77 0.02 1.13 4.11 -1.97 1.07 114.58 120.55 2klm h GLU 121 Ca 0.21 -0.05 -0.00 0.00 0.07 0.00 0.00 59.36 59.60 2klm h GLU 121 Cb 0.09 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.17 2klm h GLU 121 CO -0.03 0.51 -0.01 0.00 0.07 0.00 0.00 179.01 179.55 2klm h ALA 122 N 1.59 -0.38 -1.20 1.06 0.00 -1.83 -1.45 119.26 117.05 2klm h ALA 122 Ca 0.33 -0.01 0.34 0.00 0.00 0.00 0.00 54.91 55.57 2klm h ALA 122 Cb 0.27 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 2klm h ALA 122 CO -0.11 -0.38 0.82 0.00 0.00 0.00 0.00 179.25 179.58 2klm h ALA 123 N -1.95 2.80 0.33 0.00 0.00 -1.35 0.40 119.26 119.49 2klm h ALA 123 Ca -0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2klm h ALA 123 Cb 0.02 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2klm h ALA 123 CO 0.01 -1.22 -0.16 0.00 0.00 0.00 0.00 179.25 177.88 2klm h ALA 124 N 1.49 -1.06 -1.23 0.00 0.00 0.12 -1.34 119.26 117.24 2klm h ALA 124 Ca 0.63 -0.10 0.36 0.00 0.00 0.00 0.00 54.91 55.80 2klm h ALA 124 Cb 2.13 0.17 -0.09 0.00 0.00 0.00 0.00 17.79 20.00 2klm h ALA 124 CO -0.17 -1.03 0.83 0.00 0.00 0.00 0.00 179.25 178.88 2klm h ARG 125 N -0.46 0.16 0.00 0.00 3.08 0.08 0.23 114.38 117.46 2klm h ARG 125 Ca -0.05 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2klm h ARG 125 Cb 0.34 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.35 2klm h ARG 125 CO 0.07 0.11 0.00 -0.12 -1.07 0.00 0.00 179.97 178.96 2klm n MET 126 N -4.45 0.00 -0.18 0.04 1.56 -0.05 0.32 117.12 114.36 2klm n MET 126 Ca 0.30 0.32 -0.01 0.00 -0.27 0.00 0.00 57.70 58.04 2klm n MET 126 Cb 1.22 -1.31 0.08 0.00 2.15 0.00 0.00 33.22 35.36 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 0.55 0.00 1.12 1.08 -0.33 2.33 117.51 122.26 2klm h ILE 127 Ca 0.00 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 2klm h ILE 127 Cb 0.00 0.42 0.00 0.00 -3.07 0.00 0.00 36.82 34.17 2klm h ILE 127 CO 0.00 0.02 0.00 0.00 -0.69 0.00 0.00 178.15 177.48 2klm n ALA 128 N -2.73 -0.27 -0.31 1.87 0.00 0.71 -0.81 120.51 118.96 2klm n ALA 128 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.64 2klm n ALA 128 Cb 0.31 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.04 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 1.26 0.65 0.00 0.00 0.53 2.25 103.07 107.74 2klm h GLY 129 Ca 0.00 0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.48 2klm h GLY 129 CO 0.00 -0.44 0.48 1.76 0.00 0.00 0.00 176.54 178.34 2klm h SER 130 N 0.09 0.72 -0.48 0.19 0.02 0.41 0.21 113.55 114.71 2klm h SER 130 Ca 0.56 0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.60 2klm h SER 130 Cb 1.15 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 63.52 2klm h SER 130 CO -0.79 0.45 0.18 0.00 -1.14 0.00 0.00 176.83 175.53 2klm h ALA 131 N 1.41 0.58 -0.70 3.77 0.00 0.57 0.30 119.26 125.19 2klm h ALA 131 Ca 0.37 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.42 2klm h ALA 131 Cb 0.24 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 2klm h ALA 131 CO -0.20 -0.20 0.35 -0.09 0.00 0.00 0.00 179.25 179.10 2klm h ARG 132 N 0.36 0.57 0.02 0.00 1.12 0.13 0.94 114.38 117.52 2klm h ARG 132 Ca 0.22 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 59.06 2klm h ARG 132 Cb 0.21 -0.13 -0.00 0.00 -0.01 0.00 0.00 29.97 30.04 2klm h ARG 132 CO -0.22 0.38 -0.04 1.03 -3.11 0.00 0.00 179.97 178.01 2klm h SER 133 N 0.59 -0.11 -0.29 -3.80 0.87 0.24 -3.00 113.55 108.05 2klm h SER 133 Ca 0.35 0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.94 2klm h SER 133 Cb 0.36 0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.33 2klm h SER 133 CO -0.27 -0.04 -0.21 0.24 -0.53 0.00 0.00 176.83 176.02 2klm h MET 134 N -0.06 -0.05 0.00 2.24 2.86 0.11 -3.45 114.93 116.57 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 0.06 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.73 2klm h MET 134 CO -0.02 -0.03 0.00 0.41 1.06 0.00 0.00 176.91 178.33 2klm n GLY 135 N -1.11 -0.35 3.21 8.32 0.00 0.31 -5.09 105.19 110.48 2klm n GLY 135 Ca 0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 0.80 0.14 1.61 1.01 -0.41 -4.81 120.40 118.74 2klm s VAL 136 Ca 0.00 -1.98 0.09 0.00 0.00 0.00 0.00 61.98 60.09 2klm s VAL 136 Cb 0.00 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 2klm s VAL 136 CO 0.00 -0.74 -0.20 -1.61 0.00 0.00 0.00 175.10 172.54 2klm s GLU 137 N -3.84 1.25 -0.15 2.72 2.02 -0.64 -3.54 118.70 116.53 2klm s GLU 137 Ca 0.16 -1.32 -0.06 0.00 0.02 0.00 0.00 54.97 53.76 2klm s GLU 137 Cb 0.05 -1.43 -0.04 0.00 0.10 0.00 0.00 34.13 32.81 2klm s GLU 137 CO -0.01 0.31 0.06 0.08 0.02 0.00 0.00 175.26 175.71 2klm s VAL 138 N -1.63 4.75 -1.69 2.63 1.01 -1.26 -2.75 120.40 121.46 2klm s VAL 138 Ca 0.13 -0.06 0.16 0.00 0.00 0.00 0.00 61.98 62.21 2klm s VAL 138 Cb -0.08 -3.10 0.37 0.00 0.00 0.00 0.00 36.38 33.57 2klm s VAL 138 CO 0.06 0.51 1.42 0.55 0.00 0.00 0.00 175.10 177.65 2klm n VAL 139 N 3.03 0.29 -3.82 2.92 3.14 -0.65 -4.42 118.33 118.83 2klm n VAL 139 Ca -0.17 0.07 -0.28 0.00 -2.96 0.00 0.00 64.34 61.00 2klm n VAL 139 Cb 0.53 -0.81 -0.16 0.00 -1.06 0.00 0.00 33.84 32.33 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 -2.31 0.86 -0.30 7.55 0.00 -1.26 -4.94 107.32 106.92 2klm s GLY 140 Ca 0.19 -0.80 -0.03 0.00 0.00 0.00 0.00 44.72 44.09 2klm s GLY 140 CO 0.22 1.18 1.32 0.00 0.00 0.00 0.00 173.10 175.82 2klm n ALA 141 N 4.94 -3.84 -1.68 3.20 0.00 -1.26 -4.83 120.51 117.04 2klm n ALA 141 Ca -0.10 -0.16 -0.45 0.00 0.00 0.00 0.00 53.44 52.74 2klm n ALA 141 Cb 0.47 -3.51 -0.03 0.00 0.00 0.00 0.00 19.45 16.38 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 1.34 2.16 0.00 0.00 -0.02 -1.26 -4.76 135.00 132.46 2klm n PRO 142 Ca -0.01 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 2klm n PRO 142 Cb 0.73 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 2klm n PRO 142 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2klm n GLU 143 N 2.45 0.00 -4.34 -0.52 -0.58 -1.26 -5.15 120.64 111.23 2klm n GLU 143 Ca 0.13 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.66 2klm n GLU 143 Cb 0.31 0.00 -0.16 0.00 -0.57 0.00 0.00 31.44 31.03 2klm n GLU 143 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2klm s VAL 144 N 0.00 0.74 0.34 2.62 1.01 -1.26 -5.13 120.40 118.72 2klm s VAL 144 Ca 0.00 -0.30 -0.27 0.00 0.00 0.00 0.00 61.98 61.41 2klm s VAL 144 Cb 0.00 -0.69 -0.09 0.00 0.00 0.00 0.00 36.38 35.60 2klm s VAL 144 CO 0.00 0.25 1.08 -0.75 0.00 0.00 0.00 175.10 175.68 2klm s LYS 145 N 0.43 4.39 0.00 2.72 2.20 -1.26 -4.92 119.74 123.29 2klm s LYS 145 Ca -0.07 1.68 0.29 0.00 -0.36 0.00 0.00 55.97 57.52 2klm s LYS 145 Cb -0.11 -2.87 1.34 0.00 -1.51 0.00 0.00 37.83 34.68 2klm s LYS 145 CO 0.01 0.01 1.92 -0.40 -0.36 0.00 0.00 175.35 176.53 2klm n ASP 146 N 0.56 0.67 0.00 1.43 5.75 -1.26 -5.31 116.55 118.38 2klm n ASP 146 Ca 0.02 -0.98 0.00 0.00 -0.01 0.00 0.00 54.79 53.82 2klm n ASP 146 Cb 0.47 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 2klm n ASP 146 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09