#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmf s PRO -3 N 0.00 3.27 -0.10 1.61 0.02 -1.26 -4.98 135.00 133.56 2kmf s PRO -3 Ca 0.00 2.30 -0.22 0.00 0.02 0.00 0.00 61.00 63.09 2kmf s PRO -3 Cb 0.00 -2.36 -0.03 0.00 0.02 0.00 0.00 34.50 32.12 2kmf s PRO -3 CO 0.00 -1.11 0.66 -1.17 -0.33 0.00 0.00 177.00 175.06 2kmf s LEU -2 N -3.32 4.27 0.00 -5.54 2.96 -1.26 -4.27 118.68 111.52 2kmf s LEU -2 Ca 0.69 1.07 0.00 0.00 -0.22 0.00 0.00 54.13 55.67 2kmf s LEU -2 Cb -0.42 -3.00 0.00 0.00 0.50 0.00 0.00 46.19 43.27 2kmf s LEU -2 CO 0.50 -0.15 0.00 0.61 -1.32 0.00 0.00 176.35 176.00 2kmf n GLY -1 N 3.27 -0.29 3.77 7.98 0.00 -1.26 -5.14 105.19 113.53 2kmf n GLY -1 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 2kmf n GLY -1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kmf s SER 0 N 0.00 6.33 0.08 1.61 0.15 -1.26 -5.03 113.70 115.58 2kmf s SER 0 Ca 0.00 2.64 -0.11 0.00 0.70 0.00 0.00 55.95 59.18 2kmf s SER 0 Cb 0.00 -2.64 0.01 0.00 -1.71 0.00 0.00 66.02 61.68 2kmf s SER 0 CO 0.00 -0.84 0.25 0.00 1.20 0.00 0.00 173.24 173.86 2kmf s ASP 2 N -2.59 6.76 0.00 0.00 1.01 -1.26 -5.01 116.67 115.57 2kmf s ASP 2 Ca 0.01 2.55 0.00 0.00 0.71 0.00 0.00 52.55 55.82 2kmf s ASP 2 Cb 0.02 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.32 2kmf s ASP 2 CO -0.09 -0.53 0.00 -1.54 0.21 0.00 0.00 175.17 173.22 2kmf n SER 3 N 0.65 0.00 -2.16 0.27 3.41 -1.26 -5.02 113.62 109.51 2kmf n SER 3 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 2kmf n SER 3 Cb 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 2kmf n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kmf n GLY 4 N 0.53 -5.22 0.22 5.00 0.00 -1.26 -4.80 105.19 99.66 2kmf n GLY 4 Ca 0.00 -0.11 0.02 0.00 0.00 0.00 0.00 46.02 45.93 2kmf n GLY 4 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2kmf h THR 5 N 4.40 1.21 0.00 2.61 1.35 -1.95 -3.45 112.91 117.08 2kmf h THR 5 Ca 0.00 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 2kmf h THR 5 Cb 0.00 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 2kmf h THR 5 CO 0.00 0.29 0.00 0.61 -0.25 0.00 0.00 175.52 176.17 2kmf n GLY 6 N -0.70 0.26 3.77 5.82 0.00 -1.26 -4.96 105.19 108.12 2kmf n GLY 6 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 2kmf n GLY 6 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kmf s LEU 7 N 0.00 4.35 0.00 0.99 1.43 -1.26 -4.93 118.68 119.26 2kmf s LEU 7 Ca 0.00 2.65 0.18 0.00 -1.03 0.00 0.00 54.13 55.93 2kmf s LEU 7 Cb 0.00 -3.75 -0.06 0.00 0.03 0.00 0.00 46.19 42.41 2kmf s LEU 7 CO 0.00 -0.63 0.87 0.35 0.23 0.00 0.00 176.35 177.17 2kmf n THR 8 N 0.56 0.00 0.00 5.49 -2.24 -1.26 -4.96 114.28 111.86 2kmf n THR 8 Ca 0.01 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2kmf n THR 8 Cb 0.43 1.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.80 2kmf n THR 8 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kmf n GLY 9 N 1.29 0.20 3.56 3.38 0.00 -1.26 -5.05 105.19 107.31 2kmf n GLY 9 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2kmf n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kmf s ASN 10 N -2.30 6.40 0.61 1.61 6.03 -1.26 -4.92 114.94 121.12 2kmf s ASN 10 Ca 0.00 0.04 0.28 0.00 -1.03 0.00 0.00 52.86 52.15 2kmf s ASN 10 Cb 0.00 -2.33 1.47 0.00 -3.03 0.00 0.00 41.25 37.36 2kmf s ASN 10 CO 0.00 -0.64 1.87 0.22 -2.03 0.00 0.00 177.10 176.52 2kmf h TYR 11 N 8.56 0.00 0.33 1.54 5.03 -1.97 0.47 116.97 130.93 2kmf h TYR 11 Ca -0.26 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.03 2kmf h TYR 11 Cb 1.11 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.39 2kmf h TYR 11 CO 0.75 0.00 -0.16 0.77 -1.32 0.00 0.00 178.16 178.20 2kmf h SER 12 N 0.00 -0.37 0.68 -2.11 0.02 -1.96 -3.20 113.55 106.60 2kmf h SER 12 Ca 0.16 0.01 -0.18 0.00 -0.84 0.00 0.00 61.79 60.94 2kmf h SER 12 Cb 1.10 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.72 2kmf h SER 12 CO -0.00 0.07 -0.82 -0.61 -1.14 0.00 0.00 176.83 174.33 2kmf h GLN 13 N -1.11 0.10 -0.78 3.45 4.15 -1.88 -3.27 115.11 115.78 2kmf h GLN 13 Ca -0.04 -0.10 0.05 0.00 0.77 0.00 0.00 58.65 59.32 2kmf h GLN 13 Cb 0.34 0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.00 2kmf h GLN 13 CO 0.07 0.86 0.48 -0.44 -1.93 0.00 0.00 178.83 177.87 2kmf h ASP 14 N 0.06 0.77 -0.56 -0.69 3.32 -0.23 0.30 116.42 119.38 2kmf h ASP 14 Ca -0.02 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2kmf h ASP 14 Cb 1.43 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.80 2kmf h ASP 14 CO 0.12 0.51 0.35 0.74 -1.72 0.00 0.00 179.24 179.24 2kmf h THR 15 N 0.90 1.16 -0.69 0.35 2.02 -1.60 -1.89 112.91 113.17 2kmf h THR 15 Ca 0.33 -0.32 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 2kmf h THR 15 Cb 0.10 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 2kmf h THR 15 CO -0.14 0.16 0.19 0.25 0.37 0.00 0.00 175.52 176.34 2kmf h LEU 16 N 0.75 1.03 -0.09 2.58 5.85 -1.36 -1.80 115.31 122.28 2kmf h LEU 16 Ca 0.20 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.72 2kmf h LEU 16 Cb -0.05 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.69 2kmf h LEU 16 CO -0.04 0.98 -0.02 0.74 -0.34 0.00 0.00 178.44 179.77 2kmf h THR 17 N 1.03 0.91 -0.57 1.05 2.02 0.12 0.44 112.91 117.91 2kmf h THR 17 Ca 0.22 -0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.32 2kmf h THR 17 Cb 0.34 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 2kmf h THR 17 CO -0.00 0.00 0.04 1.62 0.37 0.00 0.00 175.52 177.55 2kmf h VAL 18 N 0.01 1.25 -0.18 3.16 3.04 -1.31 -1.85 116.25 120.37 2kmf h VAL 18 Ca 0.04 -1.04 -0.01 0.00 -1.01 0.00 0.00 66.70 64.68 2kmf h VAL 18 Cb 0.06 0.77 -0.01 0.00 -2.01 0.00 0.00 31.29 30.11 2kmf h VAL 18 CO -0.09 0.38 0.07 0.40 -1.01 0.00 0.00 177.57 177.32 2kmf h ILE 19 N 0.89 1.17 -0.74 3.17 2.04 -0.79 0.13 117.51 123.38 2kmf h ILE 19 Ca 0.17 -0.51 0.02 0.00 1.00 0.00 0.00 64.86 65.55 2kmf h ILE 19 Cb 0.47 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.67 2kmf h ILE 19 CO 0.02 0.16 0.47 0.00 0.00 0.00 0.00 178.15 178.80 2kmf h ALA 20 N 0.91 0.96 -0.30 1.87 0.00 0.02 0.38 119.26 123.09 2kmf h ALA 20 Ca 0.06 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2kmf h ALA 20 Cb 0.19 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2kmf h ALA 20 CO -0.00 0.28 -0.01 1.15 0.00 0.00 0.00 179.25 180.67 2kmf h THR 21 N 0.94 1.26 -0.35 0.00 2.02 -1.12 -2.36 112.91 113.29 2kmf h THR 21 Ca 0.29 -0.96 -0.06 0.00 0.77 0.00 0.00 66.41 66.44 2kmf h THR 21 Cb -0.02 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 2kmf h THR 21 CO -0.10 0.31 -0.03 -0.07 0.37 0.00 0.00 175.52 176.00 2kmf h LEU 22 N 0.33 0.64 -0.19 2.58 3.38 -0.33 -0.13 115.31 121.59 2kmf h LEU 22 Ca 0.08 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.74 2kmf h LEU 22 Cb 0.45 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2kmf h LEU 22 CO 0.02 0.81 0.09 0.03 0.09 0.00 0.00 178.44 179.49 2kmf h ARG 23 N 0.45 0.20 -0.17 1.13 3.08 -0.25 -1.80 114.38 117.01 2kmf h ARG 23 Ca 0.10 -0.01 -0.13 0.00 0.07 0.00 0.00 59.98 60.01 2kmf h ARG 23 Cb 0.50 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 2kmf h ARG 23 CO 0.02 0.13 -0.44 1.05 -1.07 0.00 0.00 179.97 179.67 2kmf h GLU 24 N 0.20 0.41 -0.23 0.04 4.11 -1.43 -1.43 114.58 116.26 2kmf h GLU 24 Ca 0.07 -0.21 0.03 0.00 0.07 0.00 0.00 59.36 59.32 2kmf h GLU 24 Cb 0.01 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2kmf h GLU 24 CO -0.05 0.77 0.04 0.00 0.07 0.00 0.00 179.01 179.84 2kmf h ALA 25 N 1.20 0.23 0.00 1.06 0.00 -0.57 -1.07 119.26 120.10 2kmf h ALA 25 Ca 0.03 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2kmf h ALA 25 Cb 0.91 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2kmf h ALA 25 CO 0.08 -0.39 -0.23 -0.84 0.00 0.00 0.00 179.25 177.87 2kmf h ILE 26 N 0.12 0.42 -0.37 0.00 3.07 -1.29 -3.26 117.51 116.20 2kmf h ILE 26 Ca 0.10 -1.47 -0.15 0.00 1.55 0.00 0.00 64.86 64.89 2kmf h ILE 26 Cb 0.11 2.11 -0.01 0.00 -0.27 0.00 0.00 36.82 38.76 2kmf h ILE 26 CO -0.14 0.23 -0.37 -0.78 -1.05 0.00 0.00 178.15 176.03 2kmf h ASP 27 N 0.00 0.94 -2.74 2.16 1.82 -0.61 -3.45 116.42 114.54 2kmf h ASP 27 Ca -0.00 -0.42 -0.59 0.00 -0.39 0.00 0.00 57.03 55.62 2kmf h ASP 27 Cb 1.09 -0.26 0.13 0.00 0.68 0.00 0.00 39.33 40.97 2kmf h ASP 27 CO 0.03 1.20 -0.00 0.00 -1.61 0.00 0.00 179.24 178.86 2kmf n LEU 28 N -4.06 1.74 -4.76 2.28 -0.00 -0.47 -4.90 117.00 106.84 2kmf n LEU 28 Ca -0.02 1.02 -0.41 0.00 -0.00 0.00 0.00 56.01 56.61 2kmf n LEU 28 Cb 0.53 -1.27 -0.03 0.00 -0.00 0.00 0.00 43.42 42.65 2kmf n LEU 28 CO 0.48 -1.87 0.94 -2.16 -0.00 0.00 0.00 177.39 174.77 2kmf s PRO 29 N -1.82 4.43 0.00 1.47 0.04 -1.26 -4.86 135.00 133.00 2kmf s PRO 29 Ca 0.63 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.74 2kmf s PRO 29 Cb -0.60 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 30.81 2kmf s PRO 29 CO 0.57 -0.11 0.78 0.00 0.04 0.00 0.00 177.00 178.28 2kmf n GLN 30 N 1.40 0.00 0.00 4.56 0.00 -1.26 0.90 117.38 122.98 2kmf n GLN 30 Ca 0.01 0.30 0.13 0.00 0.00 0.00 0.00 57.00 57.44 2kmf n GLN 30 Cb 0.43 -1.61 0.35 0.00 0.00 0.00 0.00 30.24 29.41 2kmf n GLN 30 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2kmf n ASP 31 N -1.28 1.15 -4.71 2.61 8.00 -1.26 -4.89 116.55 116.16 2kmf n ASP 31 Ca 0.00 -0.98 -0.42 0.00 0.71 0.00 0.00 54.79 54.10 2kmf n ASP 31 Cb 0.11 0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.34 2kmf n ASP 31 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kmf s ALA 32 N -2.47 3.36 -0.46 2.24 0.00 0.26 -4.93 121.76 119.77 2kmf s ALA 32 Ca 0.25 0.80 0.26 0.00 0.00 0.00 0.00 51.96 53.26 2kmf s ALA 32 Cb 0.19 -3.43 0.94 0.00 0.00 0.00 0.00 23.12 20.82 2kmf s ALA 32 CO 0.51 -0.42 1.77 -1.00 0.00 0.00 0.00 175.76 176.62 2kmf h PRO 33 N 6.83 0.00 -0.57 0.00 0.13 -1.90 -2.91 132.00 133.58 2kmf h PRO 33 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2kmf h PRO 33 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2kmf h PRO 33 CO 0.81 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.85 2kmf n ASN 34 N -2.45 2.87 -0.21 1.44 6.94 -1.26 -4.25 115.26 118.34 2kmf n ASN 34 Ca 0.03 -2.22 -0.06 0.00 -0.02 0.00 0.00 54.58 52.30 2kmf n ASN 34 Cb 0.32 -0.42 0.03 0.00 -2.36 0.00 0.00 39.78 37.36 2kmf n ASN 34 CO 0.00 0.00 0.00 -0.09 -1.03 0.00 0.00 177.26 176.14 2kmf h ARG 35 N 2.39 0.83 -0.05 -3.83 2.43 -1.87 -2.01 114.38 112.27 2kmf h ARG 35 Ca 0.00 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 58.98 2kmf h ARG 35 Cb 0.89 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 2kmf h ARG 35 CO 0.12 0.61 -0.44 0.37 -1.51 0.00 0.00 179.97 179.13 2kmf h GLN 36 N 0.81 0.10 -0.10 0.20 5.75 -1.86 -2.81 115.11 117.21 2kmf h GLN 36 Ca 0.21 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.66 2kmf h GLN 36 Cb 0.01 -0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.56 2kmf h GLN 36 CO -0.04 0.52 0.05 1.49 -2.65 0.00 0.00 178.83 178.21 2kmf h GLU 37 N 0.09 0.15 -0.23 1.69 4.81 -1.65 -2.72 114.58 116.72 2kmf h GLU 37 Ca 0.01 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 2kmf h GLU 37 Cb 0.81 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 2kmf h GLU 37 CO 0.06 0.21 -0.13 -0.39 -0.73 0.00 0.00 179.01 178.03 2kmf h VAL 38 N 0.05 1.21 -0.55 0.32 -1.51 -1.38 -2.80 116.25 111.59 2kmf h VAL 38 Ca 0.04 -0.93 0.05 0.00 -1.23 0.00 0.00 66.70 64.62 2kmf h VAL 38 Cb 0.11 1.19 -0.05 0.00 -2.13 0.00 0.00 31.29 30.42 2kmf h VAL 38 CO -0.00 0.30 0.29 1.56 -1.23 0.00 0.00 177.57 178.48 2kmf h GLN 39 N 0.35 0.54 -0.54 5.19 4.20 -1.22 0.33 115.11 123.97 2kmf h GLN 39 Ca 0.07 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 2kmf h GLN 39 Cb 0.45 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 2kmf h GLN 39 CO 0.03 0.36 0.20 -0.44 -0.67 0.00 0.00 178.83 178.30 2kmf h ASP 40 N 0.56 0.76 -0.33 1.46 3.32 -1.25 0.84 116.42 121.77 2kmf h ASP 40 Ca 0.24 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 2kmf h ASP 40 Cb 0.14 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 2kmf h ASP 40 CO -0.16 0.74 0.13 0.74 -1.72 0.00 0.00 179.24 178.97 2kmf h THR 41 N 0.73 1.18 -0.35 0.35 2.02 -1.17 -2.64 112.91 113.04 2kmf h THR 41 Ca 0.18 -0.56 -0.02 0.00 0.77 0.00 0.00 66.41 66.78 2kmf h THR 41 Cb 0.23 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 2kmf h THR 41 CO -0.01 0.20 0.15 0.00 0.37 0.00 0.00 175.52 176.23 2kmf h ALA 42 N 0.98 0.45 -0.87 6.16 0.00 -0.16 -2.33 119.26 123.49 2kmf h ALA 42 Ca 0.11 -0.11 0.18 0.00 0.00 0.00 0.00 54.91 55.08 2kmf h ALA 42 Cb 0.18 -0.14 -0.11 0.00 0.00 0.00 0.00 17.79 17.73 2kmf h ALA 42 CO -0.01 0.03 0.43 -0.09 0.00 0.00 0.00 179.25 179.61 2kmf h ARG 43 N 0.42 0.52 -0.55 0.00 2.43 -0.69 0.19 114.38 116.70 2kmf h ARG 43 Ca 0.12 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.21 2kmf h ARG 43 Cb 0.15 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 2kmf h ARG 43 CO -0.01 0.35 0.15 0.78 -1.51 0.00 0.00 179.97 179.72 2kmf h GLY 44 N 0.54 0.94 1.01 2.80 0.00 -1.09 -2.36 103.07 104.91 2kmf h GLY 44 Ca 0.51 -0.58 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 2kmf h GLY 44 CO -0.43 0.54 0.22 1.46 0.00 0.00 0.00 176.54 178.33 2kmf h GLN 45 N 0.78 0.97 0.38 4.80 1.08 -0.23 0.25 115.11 123.14 2kmf h GLN 45 Ca 0.18 -0.19 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 2kmf h GLN 45 Cb 0.32 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 2kmf h GLN 45 CO -0.00 0.84 -0.18 0.82 -0.95 0.00 0.00 178.83 179.35 2kmf h ILE 46 N 0.90 0.63 -0.33 2.54 2.04 -0.66 0.29 117.51 122.91 2kmf h ILE 46 Ca 0.21 -0.05 -0.06 0.00 1.00 0.00 0.00 64.86 65.96 2kmf h ILE 46 Cb 0.26 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 2kmf h ILE 46 CO -0.01 0.01 -0.02 0.78 0.00 0.00 0.00 178.15 178.91 2kmf h ASN 47 N -0.54 0.59 -0.61 1.72 2.35 -1.37 -3.05 115.58 114.68 2kmf h ASN 47 Ca -0.05 -0.32 -0.03 0.00 -0.55 0.00 0.00 56.30 55.35 2kmf h ASN 47 Cb 0.41 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.59 2kmf h ASN 47 CO 0.09 0.78 0.28 0.44 -1.65 0.00 0.00 177.43 177.36 2kmf h ASP 48 N 0.40 0.81 0.16 5.81 3.32 -0.45 0.20 116.42 126.66 2kmf h ASP 48 Ca 0.09 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 2kmf h ASP 48 Cb 0.48 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 2kmf h ASP 48 CO 0.02 0.73 -0.24 0.22 -1.72 0.00 0.00 179.24 178.25 2kmf h TYR 49 N 0.84 -0.68 -0.48 4.55 3.20 -0.37 -1.02 116.97 123.01 2kmf h TYR 49 Ca 0.21 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.01 2kmf h TYR 49 Cb 0.15 0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 2kmf h TYR 49 CO 0.00 -0.30 -0.02 -0.84 -1.64 0.00 0.00 178.16 175.37 2kmf h ILE 50 N -0.42 1.26 -0.52 1.81 3.07 -1.56 -1.90 117.51 119.26 2kmf h ILE 50 Ca -0.02 -1.09 0.10 0.00 1.55 0.00 0.00 64.86 65.40 2kmf h ILE 50 Cb 0.38 1.02 -0.09 0.00 -0.27 0.00 0.00 36.82 37.87 2kmf h ILE 50 CO -0.07 0.38 -0.00 -1.28 -1.05 0.00 0.00 178.15 176.12 2kmf h SER 51 N 0.71 -0.23 1.11 2.16 0.87 -0.50 3.19 113.55 120.84 2kmf h SER 51 Ca 0.13 0.13 -0.13 0.00 -1.23 0.00 0.00 61.79 60.69 2kmf h SER 51 Cb 0.53 0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.70 2kmf h SER 51 CO 0.03 -0.08 -0.63 0.08 -0.53 0.00 0.00 176.83 175.69 2kmf h ARG 52 N 0.11 0.00 -0.60 2.24 0.11 -1.17 -3.19 114.38 111.88 2kmf h ARG 52 Ca 0.26 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.34 2kmf h ARG 52 Cb 0.40 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.48 2kmf h ARG 52 CO -0.44 0.63 0.00 0.66 0.10 0.00 0.00 179.97 180.92 2kmf n TYR 53 N -3.39 1.01 -0.16 4.08 4.01 -0.42 -4.44 117.16 117.84 2kmf n TYR 53 Ca 0.01 -0.55 -0.11 0.00 -0.16 0.00 0.00 57.90 57.08 2kmf n TYR 53 Cb 0.73 -0.09 -0.00 0.00 -0.31 0.00 0.00 39.34 39.67 2kmf n TYR 53 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2kmf h ARG 54 N 3.60 0.96 0.00 -0.72 2.47 0.58 -2.43 114.38 118.84 2kmf h ARG 54 Ca 0.00 -0.38 0.00 0.00 -1.26 0.00 0.00 59.98 58.34 2kmf h ARG 54 Cb 1.09 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.37 2kmf h ARG 54 CO 0.08 1.05 0.00 2.89 0.56 0.00 0.00 179.97 184.55 2kmf n ARG 55 N -4.18 0.02 -0.05 0.04 1.85 -1.26 -1.30 116.66 111.78 2kmf n ARG 55 Ca 0.00 0.10 -0.10 0.00 -1.00 0.00 0.00 57.85 56.85 2kmf n ARG 55 Cb 0.42 -1.50 -0.04 0.00 -1.05 0.00 0.00 32.46 30.29 2kmf n ARG 55 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 2kmf h LYS 56 N 0.00 0.28 0.00 2.89 3.64 -1.70 -3.43 116.57 118.26 2kmf h LYS 56 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2kmf h LYS 56 Cb 0.38 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2kmf h LYS 56 CO 0.00 0.24 0.00 0.41 -2.27 0.00 0.00 179.45 177.83 2kmf n GLY 57 N -1.01 0.51 2.55 5.01 0.00 -1.23 -4.99 105.19 106.03 2kmf n GLY 57 Ca -0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.93 2kmf n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kmf n ASP 58 N 0.00 -2.06 -1.45 1.61 5.75 -0.42 -3.82 116.55 116.17 2kmf n ASP 58 Ca 0.00 0.34 0.00 0.00 -0.01 0.00 0.00 54.79 55.12 2kmf n ASP 58 Cb 0.13 -1.84 0.00 0.00 -1.03 0.00 0.00 41.12 38.38 2kmf n ASP 58 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kmf n ALA 59 N -2.47 -2.51 0.00 2.12 0.00 -1.26 -5.06 120.51 111.33 2kmf n ALA 59 Ca -0.05 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2kmf n ALA 59 Cb 0.54 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.10 2kmf n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kmf n GLY 60 N 0.95 0.00 0.00 0.00 0.00 -1.25 -4.99 105.19 99.89 2kmf n GLY 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kmf n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kmf n GLY 61 N 0.00 0.10 3.27 -0.02 0.00 -1.26 -5.11 105.19 102.18 2kmf n GLY 61 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2kmf n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kmf s LEU 62 N 0.00 2.87 0.15 0.99 1.02 -1.26 -4.99 118.68 117.46 2kmf s LEU 62 Ca 0.00 -0.49 -0.13 0.00 0.02 0.00 0.00 54.13 53.53 2kmf s LEU 62 Cb 0.00 -1.70 0.03 0.00 0.02 0.00 0.00 46.19 44.54 2kmf s LEU 62 CO 0.00 -0.04 1.65 0.11 0.02 0.00 0.00 176.35 178.10 2kmf h LYS 63 N 8.09 0.81 0.01 1.70 1.79 -1.97 0.11 116.57 127.11 2kmf h LYS 63 Ca -0.41 -0.20 -0.00 0.00 -2.18 0.00 0.00 60.65 57.86 2kmf h LYS 63 Cb 1.15 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 2kmf h LYS 63 CO 0.60 0.79 -0.00 1.03 -1.08 0.00 0.00 179.45 180.79 2kmf h SER 64 N 0.70 -0.01 -0.28 0.86 0.87 -1.90 0.29 113.55 114.08 2kmf h SER 64 Ca 0.16 -0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 2kmf h SER 64 Cb 0.34 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 2kmf h SER 64 CO 0.00 0.09 0.07 0.15 -0.53 0.00 0.00 176.83 176.61 2kmf h PHE 65 N -0.11 0.47 -0.10 2.24 3.57 -1.95 0.32 116.94 121.39 2kmf h PHE 65 Ca -0.00 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 2kmf h PHE 65 Cb 0.10 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.71 2kmf h PHE 65 CO -0.04 0.52 0.05 1.79 -2.23 0.00 0.00 178.31 178.39 2kmf h THR 66 N 0.29 1.11 -0.38 4.41 1.35 -0.70 0.43 112.91 119.42 2kmf h THR 66 Ca 0.09 -0.31 -0.02 0.00 -0.55 0.00 0.00 66.41 65.61 2kmf h THR 66 Cb 0.29 1.14 -0.02 0.00 -1.73 0.00 0.00 68.15 67.83 2kmf h THR 66 CO 0.00 0.10 0.14 0.74 -0.25 0.00 0.00 175.52 176.24 2kmf h THR 67 N 0.04 1.20 -0.66 6.82 2.02 -0.37 -2.72 112.91 119.23 2kmf h THR 67 Ca 0.03 -0.63 -0.05 0.00 0.77 0.00 0.00 66.41 66.53 2kmf h THR 67 Cb 0.11 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 2kmf h THR 67 CO -0.00 0.22 0.21 0.24 0.37 0.00 0.00 175.52 176.56 2kmf h MET 68 N 0.46 1.02 0.08 6.66 2.07 -0.22 -0.66 114.93 124.34 2kmf h MET 68 Ca 0.12 -0.22 0.02 0.00 -2.07 0.00 0.00 59.70 57.56 2kmf h MET 68 Cb 0.21 -0.15 -0.04 0.00 -1.87 0.00 0.00 31.60 29.76 2kmf h MET 68 CO -0.01 0.89 -0.26 0.37 1.07 0.00 0.00 176.91 178.98 2kmf h GLN 69 N 0.96 -0.43 -0.26 1.72 4.15 0.05 0.50 115.11 121.80 2kmf h GLN 69 Ca 0.21 0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.63 2kmf h GLN 69 Cb 0.29 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 2kmf h GLN 69 CO -0.01 -0.28 0.05 1.15 -1.93 0.00 0.00 178.83 177.81 2kmf h THR 70 N -0.44 1.22 -0.02 2.39 2.02 -1.41 -1.00 112.91 115.66 2kmf h THR 70 Ca 0.04 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.47 2kmf h THR 70 Cb 0.49 1.22 -0.00 0.00 -1.74 0.00 0.00 68.15 68.11 2kmf h THR 70 CO -0.17 0.24 0.01 0.00 0.37 0.00 0.00 175.52 175.97 2kmf h ALA 71 N 0.87 0.03 -0.53 6.16 0.00 -0.86 0.24 119.26 125.16 2kmf h ALA 71 Ca 0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2kmf h ALA 71 Cb 0.31 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2kmf h ALA 71 CO 0.00 -0.47 0.22 -0.07 0.00 0.00 0.00 179.25 178.93 2kmf h LEU 72 N 0.02 0.72 -0.84 0.00 3.38 -0.00 -2.49 115.31 116.09 2kmf h LEU 72 Ca 0.01 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 2kmf h LEU 72 Cb 0.01 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2kmf h LEU 72 CO -0.00 0.68 -0.05 0.78 0.09 0.00 0.00 178.44 179.94 2kmf h ASN 73 N 0.71 0.78 0.67 -0.43 2.35 -1.01 -0.15 115.58 118.51 2kmf h ASN 73 Ca 0.18 -0.21 -0.03 0.00 -0.55 0.00 0.00 56.30 55.68 2kmf h ASN 73 Cb 0.18 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.34 2kmf h ASN 73 CO -0.02 0.88 -0.36 0.28 -1.65 0.00 0.00 177.43 176.56 2kmf h SER 74 N 0.74 -0.88 0.61 5.81 0.02 -0.20 -2.91 113.55 116.74 2kmf h SER 74 Ca 0.13 0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 61.03 2kmf h SER 74 Cb 0.53 0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 2kmf h SER 74 CO 0.03 -0.59 -0.45 0.17 -1.14 0.00 0.00 176.83 174.85 2kmf h LEU 75 N -0.96 0.00 -2.01 5.07 8.10 -1.46 -2.83 115.31 121.22 2kmf h LEU 75 Ca -0.09 0.00 0.16 0.00 0.11 0.00 0.00 57.88 58.06 2kmf h LEU 75 Cb 0.75 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.95 2kmf h LEU 75 CO 0.12 0.45 0.44 0.00 -4.11 0.00 0.00 178.44 175.34 2kmf h ALA 76 N 1.55 2.43 0.00 0.17 0.00 -0.82 0.26 119.26 122.85 2kmf h ALA 76 Ca -0.00 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 2kmf h ALA 76 Cb 0.88 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 2kmf h ALA 76 CO 0.06 -0.72 -1.13 0.78 0.00 0.00 0.00 179.25 178.24 2kmf h GLY 77 N 0.00 0.00 1.11 0.00 0.00 -1.40 -3.32 103.07 99.47 2kmf h GLY 77 Ca 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 2kmf h GLY 77 CO -0.00 0.00 0.49 -0.97 0.00 0.00 0.00 176.54 176.05 2kmf h TYR 78 N 0.00 1.14 -0.50 5.60 -1.99 -0.55 1.59 116.97 122.26 2kmf h TYR 78 Ca -0.06 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.65 2kmf h TYR 78 Cb 1.81 -0.37 -0.02 0.00 2.00 0.00 0.00 36.73 40.15 2kmf h TYR 78 CO 0.00 0.78 0.29 1.88 -0.00 0.00 0.00 178.16 181.11 2kmf h TYR 79 N 1.18 0.68 0.02 4.88 0.05 -1.60 -2.52 116.97 119.65 2kmf h TYR 79 Ca 0.30 -0.01 -0.31 0.00 0.05 0.00 0.00 58.73 58.76 2kmf h TYR 79 Cb -0.01 -0.22 -0.05 0.00 1.01 0.00 0.00 36.73 37.47 2kmf h TYR 79 CO 0.01 0.49 -1.82 -2.37 -1.05 0.00 0.00 178.16 173.41 2kmf n THR 80 N -4.67 1.61 -0.18 -2.88 5.66 -1.06 -0.89 114.28 111.88 2kmf n THR 80 Ca 0.02 -0.78 -0.07 0.00 -3.05 0.00 0.00 64.05 60.18 2kmf n THR 80 Cb 0.07 -1.09 0.02 0.00 -1.55 0.00 0.00 70.33 67.78 2kmf n THR 80 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 175.07 170.74 2kmf h SER 81 N 0.01 0.59 0.00 1.09 0.87 0.23 -3.23 113.55 113.11 2kmf h SER 81 Ca -0.33 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.16 2kmf h SER 81 Cb 2.04 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.84 2kmf h SER 81 CO 0.07 0.43 -1.75 -1.22 -0.53 0.00 0.00 176.83 173.84 2kmf n TYR 82 N -4.73 0.00 -0.80 2.24 4.01 -0.95 -5.05 117.16 111.88 2kmf n TYR 82 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 2kmf n TYR 82 Cb 0.02 -0.42 0.00 0.00 -0.31 0.00 0.00 39.34 38.63 2kmf n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2kmf n GLY 83 N 1.75 0.94 0.00 2.72 0.00 -0.07 -4.06 105.19 106.47 2kmf n GLY 83 Ca -0.07 -1.48 0.05 0.00 0.00 0.00 0.00 46.02 44.52 2kmf n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kmf n ALA 84 N 2.50 1.61 -1.69 4.61 0.00 -1.26 -4.52 120.51 121.77 2kmf n ALA 84 Ca 0.00 -0.05 -0.44 0.00 0.00 0.00 0.00 53.44 52.95 2kmf n ALA 84 Cb 0.00 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.26 2kmf n ALA 84 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2kmf n ARG 85 N -1.30 2.26 -2.20 0.00 0.63 -1.26 -4.90 116.66 109.89 2kmf n ARG 85 Ca 0.04 0.81 -0.36 0.00 -0.92 0.00 0.00 57.85 57.42 2kmf n ARG 85 Cb 0.08 -2.55 0.00 0.00 0.45 0.00 0.00 32.46 30.44 2kmf n ARG 85 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2kmf s PRO 86 N 0.29 3.47 0.26 -0.14 0.04 -1.26 -4.88 135.00 132.79 2kmf s PRO 86 Ca 0.73 1.75 -0.30 0.00 0.04 0.00 0.00 61.00 63.21 2kmf s PRO 86 Cb -0.62 -2.19 -0.11 0.00 0.04 0.00 0.00 34.50 31.62 2kmf s PRO 86 CO 0.43 -0.78 1.54 0.42 0.04 0.00 0.00 177.00 178.64 2kmf s ILE 87 N -1.62 2.34 0.54 0.56 1.01 -1.26 -4.93 121.20 117.84 2kmf s ILE 87 Ca 0.69 0.28 -0.19 0.00 0.00 0.00 0.00 60.65 61.43 2kmf s ILE 87 Cb -0.28 -3.18 -0.09 0.00 0.01 0.00 0.00 42.46 38.93 2kmf s ILE 87 CO 0.32 0.04 0.59 -2.65 0.00 0.00 0.00 174.94 173.24 2kmf n PRO 88 N 2.48 0.60 -0.03 2.79 -0.02 -1.26 -4.69 135.00 134.87 2kmf n PRO 88 Ca 0.08 0.23 -0.00 0.00 -2.02 0.00 0.00 63.50 61.79 2kmf n PRO 88 Cb 0.38 -1.73 0.28 0.00 -0.02 0.00 0.00 33.50 32.41 2kmf n PRO 88 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2kmf h GLU 89 N 0.40 0.59 -0.18 -0.52 5.08 -1.99 0.13 114.58 118.10 2kmf h GLU 89 Ca -0.45 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 57.78 2kmf h GLU 89 Cb 1.39 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 2kmf h GLU 89 CO 0.48 0.58 0.07 0.87 -1.00 0.00 0.00 179.01 180.01 2kmf h LYS 90 N 0.57 0.27 -0.23 2.33 1.57 -2.02 -2.73 116.57 116.33 2kmf h LYS 90 Ca 0.13 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.69 2kmf h LYS 90 Cb 0.30 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2kmf h LYS 90 CO 0.00 0.35 -0.51 1.25 -0.57 0.00 0.00 179.45 179.97 2kmf h LEU 91 N 0.13 0.72 -0.71 2.94 5.85 -1.86 -3.16 115.31 119.22 2kmf h LEU 91 Ca 0.06 -0.37 0.15 0.00 0.84 0.00 0.00 57.88 58.56 2kmf h LEU 91 Cb 0.19 -0.20 -0.10 0.00 0.37 0.00 0.00 40.66 40.91 2kmf h LEU 91 CO -0.00 1.10 0.17 0.50 -0.34 0.00 0.00 178.44 179.87 2kmf h LYS 92 N 0.51 0.27 -0.74 1.25 3.64 -0.59 0.14 116.57 121.05 2kmf h LYS 92 Ca 0.02 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2kmf h LYS 92 Cb 1.07 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.79 2kmf h LYS 92 CO 0.10 0.18 0.34 0.87 -2.27 0.00 0.00 179.45 178.68 2kmf h LYS 93 N 0.28 1.08 -0.55 1.90 1.57 -1.45 -1.68 116.57 117.72 2kmf h LYS 93 Ca 0.39 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 2kmf h LYS 93 Cb 0.64 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 2kmf h LYS 93 CO -0.48 0.85 0.29 -0.09 -0.57 0.00 0.00 179.45 179.46 2kmf h ARG 94 N 1.05 0.77 -0.74 3.15 2.43 -0.81 -2.64 114.38 117.58 2kmf h ARG 94 Ca 0.25 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.28 2kmf h ARG 94 Cb 0.14 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 2kmf h ARG 94 CO -0.03 0.60 0.27 -0.07 -1.51 0.00 0.00 179.97 179.24 2kmf h LEU 95 N 0.73 1.05 -0.68 3.80 3.38 -0.64 -2.06 115.31 120.89 2kmf h LEU 95 Ca 0.19 -0.19 0.09 0.00 0.09 0.00 0.00 57.88 58.06 2kmf h LEU 95 Cb 0.06 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.47 2kmf h LEU 95 CO -0.03 0.95 0.33 1.56 0.09 0.00 0.00 178.44 181.35 2kmf h GLN 96 N 1.08 0.57 -0.61 1.13 1.08 -0.99 -1.10 115.11 116.27 2kmf h GLN 96 Ca 0.25 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.34 2kmf h GLN 96 Cb 0.25 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.53 2kmf h GLN 96 CO -0.02 0.37 0.09 -0.07 -0.95 0.00 0.00 178.83 178.26 2kmf h LEU 97 N 0.58 0.97 -0.40 1.46 3.38 -1.14 -1.69 115.31 118.48 2kmf h LEU 97 Ca 0.33 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 58.08 2kmf h LEU 97 Cb 0.33 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 2kmf h LEU 97 CO -0.26 0.99 0.18 -0.33 0.09 0.00 0.00 178.44 179.11 2kmf h GLU 98 N 0.92 0.35 -0.36 1.13 4.39 -0.54 -0.90 114.58 119.57 2kmf h GLU 98 Ca 0.18 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.76 2kmf h GLU 98 Cb 0.44 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 2kmf h GLU 98 CO 0.01 0.23 -0.20 0.74 -1.16 0.00 0.00 179.01 178.64 2kmf h PHE 99 N 0.36 0.76 -1.01 4.33 0.04 -1.15 -2.04 116.94 118.23 2kmf h PHE 99 Ca 0.18 -0.16 0.01 0.00 2.80 0.00 0.00 57.97 60.80 2kmf h PHE 99 Cb 0.12 -0.19 -0.05 0.00 2.20 0.00 0.00 35.95 38.03 2kmf h PHE 99 CO -0.12 0.82 0.67 1.15 -0.60 0.00 0.00 178.31 180.23 2kmf h THR 100 N 0.60 1.26 -0.13 -1.55 2.02 -0.54 0.15 112.91 114.72 2kmf h THR 100 Ca 0.09 -0.47 -0.15 0.00 0.77 0.00 0.00 66.41 66.65 2kmf h THR 100 Cb 0.67 -0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 2kmf h THR 100 CO 0.05 0.25 -0.55 1.56 0.37 0.00 0.00 175.52 177.20 2kmf h GLN 101 N 1.37 0.38 0.04 6.66 4.20 -0.90 -3.05 115.11 123.81 2kmf h GLN 101 Ca 0.37 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 2kmf h GLN 101 Cb -0.16 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.65 2kmf h GLN 101 CO -0.08 0.83 -0.02 0.00 -0.67 0.00 0.00 178.83 178.89 2kmf h ALA 102 N 1.12 -0.06 -0.99 3.87 0.00 -0.64 -2.31 119.26 120.26 2kmf h ALA 102 Ca 0.01 -0.29 0.11 0.00 0.00 0.00 0.00 54.91 54.74 2kmf h ALA 102 Cb 1.05 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.78 2kmf h ALA 102 CO 0.09 -0.23 0.63 1.05 0.00 0.00 0.00 179.25 180.80 2kmf h GLU 103 N -0.67 0.98 -0.00 0.00 4.11 -1.08 -0.54 114.58 117.39 2kmf h GLU 103 Ca -0.01 -0.06 -0.15 0.00 0.07 0.00 0.00 59.36 59.21 2kmf h GLU 103 Cb 0.59 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2kmf h GLU 103 CO 0.01 0.65 -0.72 0.07 0.07 0.00 0.00 179.01 179.09 2kmf h ARG 104 N 1.01 0.02 0.00 1.06 0.11 -1.60 -2.99 114.38 111.99 2kmf h ARG 104 Ca 0.48 -0.02 -0.04 0.00 0.10 0.00 0.00 59.98 60.49 2kmf h ARG 104 Cb 0.43 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.50 2kmf h ARG 104 CO -0.24 0.73 -0.21 0.77 0.10 0.00 0.00 179.97 181.12 2kmf h SER 105 N 0.01 0.00 -0.58 0.08 0.02 -0.53 -2.84 113.55 109.71 2kmf h SER 105 Ca -0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 2kmf h SER 105 Cb 1.27 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.78 2kmf h SER 105 CO 0.09 0.21 0.32 0.40 -1.14 0.00 0.00 176.83 176.72 2kmf h ILE 106 N 0.00 1.19 -0.57 3.27 1.08 -1.17 -2.13 117.51 119.17 2kmf h ILE 106 Ca -0.00 -0.46 -0.05 0.00 -0.39 0.00 0.00 64.86 63.96 2kmf h ILE 106 Cb 0.55 0.44 -0.03 0.00 -3.07 0.00 0.00 36.82 34.72 2kmf h ILE 106 CO 0.03 0.20 0.16 -0.33 -0.69 0.00 0.00 178.15 177.52 2kmf h GLU 107 N 0.78 0.86 0.00 2.37 4.39 -1.63 -1.18 114.58 120.17 2kmf h GLU 107 Ca 0.20 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 2kmf h GLU 107 Cb 0.03 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.55 2kmf h GLU 107 CO -0.03 0.75 -0.04 -0.09 -1.16 0.00 0.00 179.01 178.44 2kmf h ARG 108 N 0.83 0.00 -5.11 2.33 2.43 -1.37 -3.46 114.38 110.04 2kmf h ARG 108 Ca 0.19 0.00 -0.40 0.00 -0.81 0.00 0.00 59.98 58.96 2kmf h ARG 108 Cb 0.26 0.00 0.10 0.00 -0.42 0.00 0.00 29.97 29.91 2kmf h ARG 108 CO -0.01 0.04 -0.64 0.41 -1.51 0.00 0.00 179.97 178.27 2kmf n GLY 109 N -0.66 -0.51 0.00 2.80 0.00 -0.45 -5.12 105.19 101.25 2kmf n GLY 109 Ca -0.02 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2kmf n GLY 109 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65