#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmf h PRO -3 N 0.00 0.00 -6.75 1.61 0.13 -2.13 -3.43 132.00 121.43 2kmf h PRO -3 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 2kmf h PRO -3 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 2kmf h PRO -3 CO 0.00 0.00 0.42 -0.51 -0.23 0.00 0.00 178.00 177.68 2kmf s LEU -2 N -6.06 4.58 0.00 1.56 1.02 -1.26 -4.97 118.68 113.55 2kmf s LEU -2 Ca -0.01 2.09 0.00 0.00 0.02 0.00 0.00 54.13 56.23 2kmf s LEU -2 Cb 0.10 -3.62 0.00 0.00 0.02 0.00 0.00 46.19 42.70 2kmf s LEU -2 CO 0.48 -0.03 0.00 0.61 0.02 0.00 0.00 176.35 177.44 2kmf n GLY -1 N 1.48 0.67 3.84 -3.19 0.00 -1.26 -5.17 105.19 101.56 2kmf n GLY -1 Ca -0.01 0.54 -0.31 0.00 0.00 0.00 0.00 46.02 46.25 2kmf n GLY -1 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kmf s SER 0 N 0.00 5.59 0.23 1.61 1.04 -1.26 -4.96 113.70 115.95 2kmf s SER 0 Ca 0.00 1.46 -0.06 0.00 0.48 0.00 0.00 55.95 57.84 2kmf s SER 0 Cb 0.00 -2.38 0.23 0.00 0.10 0.00 0.00 66.02 63.97 2kmf s SER 0 CO 0.00 -1.29 1.76 0.00 0.98 0.00 0.00 173.24 174.70 2kmf s ASP 2 N -6.49 5.27 -0.06 0.00 2.15 -1.26 -5.05 116.67 111.23 2kmf s ASP 2 Ca -0.11 2.02 0.01 0.00 0.43 0.00 0.00 52.55 54.90 2kmf s ASP 2 Cb 0.15 -2.56 0.02 0.00 -0.30 0.00 0.00 42.92 40.24 2kmf s ASP 2 CO 0.83 -1.52 -0.07 -0.94 -0.17 0.00 0.00 175.17 173.30 2kmf s SER 3 N -2.45 1.32 0.00 -0.34 1.04 -1.26 -5.04 113.70 106.97 2kmf s SER 3 Ca 0.68 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.91 2kmf s SER 3 Cb -0.21 -0.59 0.00 0.00 0.10 0.00 0.00 66.02 65.32 2kmf s SER 3 CO 0.38 -0.04 0.00 0.61 0.98 0.00 0.00 173.24 175.18 2kmf n GLY 4 N 4.07 0.04 0.21 7.32 0.00 -1.26 -4.91 105.19 110.66 2kmf n GLY 4 Ca -0.23 -1.04 0.03 0.00 0.00 0.00 0.00 46.02 44.78 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 0.00 1.21 0.00 2.61 1.35 -1.96 -3.45 112.91 112.68 2kmf h THR 5 Ca 0.00 -1.01 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 2kmf h THR 5 Cb 0.00 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 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 -0.68 0.09 3.77 5.82 0.00 -1.26 -4.98 105.19 107.94 2kmf n GLY 6 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 4.12 0.00 0.99 1.43 -1.26 -4.94 118.68 119.02 2kmf s LEU 7 Ca 0.00 2.52 0.13 0.00 -1.03 0.00 0.00 54.13 55.75 2kmf s LEU 7 Cb 0.00 -4.05 0.03 0.00 0.03 0.00 0.00 46.19 42.20 2kmf s LEU 7 CO 0.00 -0.91 0.79 0.35 0.23 0.00 0.00 176.35 176.81 2kmf n THR 8 N -0.16 0.00 -0.01 5.49 -2.24 -1.26 -4.97 114.28 111.13 2kmf n THR 8 Ca 0.05 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 2kmf n THR 8 Cb 0.45 1.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.87 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 0.93 0.23 3.56 3.38 0.00 -1.26 -5.04 105.19 106.99 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 -2.27 6.40 0.42 1.61 6.03 -1.26 -4.93 114.94 120.94 2kmf s ASN 10 Ca 0.00 0.06 0.18 0.00 -1.03 0.00 0.00 52.86 52.07 2kmf s ASN 10 Cb 0.00 -2.32 1.11 0.00 -3.03 0.00 0.00 41.25 37.01 2kmf s ASN 10 CO 0.00 -0.61 1.86 0.22 -2.03 0.00 0.00 177.10 176.54 2kmf h TYR 11 N 8.52 0.51 0.80 1.54 3.20 -1.97 0.53 116.97 130.11 2kmf h TYR 11 Ca -0.26 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.58 2kmf h TYR 11 Cb 1.11 -0.16 0.01 0.00 1.54 0.00 0.00 36.73 39.23 2kmf h TYR 11 CO 0.74 0.13 -0.39 1.03 -1.64 0.00 0.00 178.16 178.04 2kmf h SER 12 N 0.38 -0.91 0.64 -2.11 0.87 -1.97 -2.60 113.55 107.85 2kmf h SER 12 Ca 0.47 0.02 -0.20 0.00 -1.23 0.00 0.00 61.79 60.84 2kmf h SER 12 Cb 1.20 0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 63.38 2kmf h SER 12 CO -0.17 -0.59 -0.92 -0.61 -0.53 0.00 0.00 176.83 174.02 2kmf h GLN 13 N -1.20 0.17 -0.83 2.24 4.15 -1.91 -3.28 115.11 114.45 2kmf h GLN 13 Ca -0.11 -0.21 0.02 0.00 0.77 0.00 0.00 58.65 59.13 2kmf h GLN 13 Cb 0.84 0.06 -0.05 0.00 0.21 0.00 0.00 27.48 28.55 2kmf h GLN 13 CO 0.18 0.97 0.54 -0.44 -1.93 0.00 0.00 178.83 178.15 2kmf h ASP 14 N 0.09 0.91 -0.45 -0.69 3.32 -0.01 0.34 116.42 119.92 2kmf h ASP 14 Ca -0.05 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 2kmf h ASP 14 Cb 1.57 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.88 2kmf h ASP 14 CO 0.14 0.64 0.28 0.74 -1.72 0.00 0.00 179.24 179.31 2kmf h THR 15 N 1.07 1.14 -0.53 0.35 2.02 -1.52 -1.80 112.91 113.64 2kmf h THR 15 Ca 0.32 -0.31 -0.09 0.00 0.77 0.00 0.00 66.41 67.10 2kmf h THR 15 Cb -0.04 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 2kmf h THR 15 CO -0.10 0.14 -0.04 0.25 0.37 0.00 0.00 175.52 176.14 2kmf h LEU 16 N 0.60 0.90 -0.19 2.58 6.46 -1.44 -1.94 115.31 122.28 2kmf h LEU 16 Ca 0.16 -0.25 0.00 0.00 -0.12 0.00 0.00 57.88 57.67 2kmf h LEU 16 Cb -0.01 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 39.66 2kmf h LEU 16 CO -0.03 0.98 0.13 0.74 -0.62 0.00 0.00 178.44 179.64 2kmf h THR 17 N 0.84 1.05 -0.42 1.05 2.02 0.12 0.37 112.91 117.94 2kmf h THR 17 Ca 0.15 -0.09 -0.09 0.00 0.77 0.00 0.00 66.41 67.14 2kmf h THR 17 Cb 0.55 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 2kmf h THR 17 CO 0.03 0.05 -0.12 1.62 0.37 0.00 0.00 175.52 177.47 2kmf h VAL 18 N 0.26 1.26 -0.18 3.16 3.04 -1.29 -2.23 116.25 120.27 2kmf h VAL 18 Ca 0.07 -1.18 -0.02 0.00 -1.01 0.00 0.00 66.70 64.56 2kmf h VAL 18 Cb -0.03 1.07 -0.01 0.00 -2.01 0.00 0.00 31.29 30.32 2kmf h VAL 18 CO -0.02 0.40 0.03 0.40 -1.01 0.00 0.00 177.57 177.38 2kmf h ILE 19 N 0.68 1.22 -0.72 3.17 2.04 -0.89 0.70 117.51 123.71 2kmf h ILE 19 Ca 0.11 -0.72 0.04 0.00 1.00 0.00 0.00 64.86 65.30 2kmf h ILE 19 Cb 0.60 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.98 2kmf h ILE 19 CO 0.04 0.22 0.43 0.00 0.00 0.00 0.00 178.15 178.84 2kmf h ALA 20 N 0.83 0.95 -0.30 1.87 0.00 -0.15 0.17 119.26 122.63 2kmf h ALA 20 Ca 0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2kmf h ALA 20 Cb 0.31 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2kmf h ALA 20 CO 0.00 0.17 -0.03 1.15 0.00 0.00 0.00 179.25 180.55 2kmf h THR 21 N 0.82 1.27 -0.43 0.00 2.02 -1.25 -2.86 112.91 112.47 2kmf h THR 21 Ca 0.30 -1.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.43 2kmf h THR 21 Cb 0.10 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 2kmf h THR 21 CO -0.14 0.32 0.08 -0.07 0.37 0.00 0.00 175.52 176.08 2kmf h LEU 22 N 0.33 0.68 -0.19 2.58 3.38 -0.34 0.15 115.31 121.89 2kmf h LEU 22 Ca 0.08 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.81 2kmf h LEU 22 Cb 0.48 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2kmf h LEU 22 CO 0.02 0.76 0.10 0.03 0.09 0.00 0.00 178.44 179.44 2kmf h ARG 23 N 0.57 0.20 -0.16 1.13 3.08 -0.70 -1.55 114.38 116.96 2kmf h ARG 23 Ca 0.13 -0.01 -0.16 0.00 0.07 0.00 0.00 59.98 60.01 2kmf h ARG 23 Cb 0.36 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 2kmf h ARG 23 CO 0.01 0.13 -0.56 1.05 -1.07 0.00 0.00 179.97 179.53 2kmf h GLU 24 N 0.21 0.48 -0.21 0.04 4.11 -1.47 -2.10 114.58 115.63 2kmf h GLU 24 Ca 0.08 -0.30 0.02 0.00 0.07 0.00 0.00 59.36 59.23 2kmf h GLU 24 Cb 0.01 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2kmf h GLU 24 CO -0.05 0.91 0.06 0.00 0.07 0.00 0.00 179.01 180.00 2kmf h ALA 25 N 1.03 0.23 0.00 1.06 0.00 -0.36 -1.56 119.26 119.65 2kmf h ALA 25 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2kmf h ALA 25 Cb 1.09 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2kmf h ALA 25 CO 0.10 -0.36 0.00 -0.84 0.00 0.00 0.00 179.25 178.15 2kmf h ILE 26 N 0.16 0.00 -0.23 0.00 3.07 -1.30 -3.19 117.51 116.02 2kmf h ILE 26 Ca 0.09 -0.68 -0.18 0.00 1.55 0.00 0.00 64.86 65.64 2kmf h ILE 26 Cb 0.07 1.66 -0.00 0.00 -0.27 0.00 0.00 36.82 38.27 2kmf h ILE 26 CO -0.10 0.00 -0.58 -0.78 -1.05 0.00 0.00 178.15 175.64 2kmf h ASP 27 N 0.00 0.82 -2.66 2.16 1.82 -0.61 -3.46 116.42 114.49 2kmf h ASP 27 Ca 0.00 -0.45 -0.57 0.00 -0.39 0.00 0.00 57.03 55.62 2kmf h ASP 27 Cb 0.77 -0.24 0.20 0.00 0.68 0.00 0.00 39.33 40.74 2kmf h ASP 27 CO 0.00 1.22 -0.92 0.00 -1.61 0.00 0.00 179.24 177.93 2kmf n LEU 28 N -3.97 -1.86 -4.77 2.28 -0.00 -0.67 -4.90 117.00 103.10 2kmf n LEU 28 Ca -0.04 0.50 -0.37 0.00 -0.00 0.00 0.00 56.01 56.09 2kmf n LEU 28 Cb 0.64 -1.02 -0.03 0.00 -0.00 0.00 0.00 43.42 43.00 2kmf n LEU 28 CO 0.49 -4.21 0.78 -2.16 -0.00 0.00 0.00 177.39 172.29 2kmf s PRO 29 N -2.22 4.17 0.15 1.47 0.04 -1.26 -4.90 135.00 132.45 2kmf s PRO 29 Ca 0.57 1.65 0.13 0.00 0.04 0.00 0.00 61.00 63.39 2kmf s PRO 29 Cb -0.34 -2.65 0.64 0.00 0.04 0.00 0.00 34.50 32.19 2kmf s PRO 29 CO 0.66 -0.17 1.40 0.00 0.04 0.00 0.00 177.00 178.93 2kmf n GLN 30 N 0.10 0.08 -0.00 4.56 0.00 -1.26 -0.70 117.38 120.15 2kmf n GLN 30 Ca 0.04 0.50 0.14 0.00 0.00 0.00 0.00 57.00 57.68 2kmf n GLN 30 Cb 0.48 -1.71 0.47 0.00 0.00 0.00 0.00 30.24 29.48 2kmf n GLN 30 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2kmf n ASP 31 N -1.87 1.68 -4.76 2.61 -0.08 -1.26 -4.93 116.55 107.95 2kmf n ASP 31 Ca 0.00 -1.56 -0.41 0.00 -1.51 0.00 0.00 54.79 51.31 2kmf n ASP 31 Cb 0.07 -0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.51 2kmf n ASP 31 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kmf s ALA 32 N -2.00 3.56 -0.07 -1.67 0.00 0.12 -4.91 121.76 116.79 2kmf s ALA 32 Ca 0.37 1.32 0.31 0.00 0.00 0.00 0.00 51.96 53.96 2kmf s ALA 32 Cb 0.21 -3.53 1.12 0.00 0.00 0.00 0.00 23.12 20.92 2kmf s ALA 32 CO 0.33 -0.73 1.89 -1.00 0.00 0.00 0.00 175.76 176.25 2kmf h PRO 33 N 4.06 0.00 -0.87 0.00 0.13 -1.91 -2.93 132.00 130.48 2kmf h PRO 33 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 2kmf h PRO 33 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 2kmf h PRO 33 CO 0.71 0.00 0.04 0.27 -0.23 0.00 0.00 178.00 178.78 2kmf n ASN 34 N -3.01 2.82 -0.19 1.44 6.94 -1.26 -4.29 115.26 117.72 2kmf n ASN 34 Ca 0.01 -2.38 -0.06 0.00 -0.02 0.00 0.00 54.58 52.14 2kmf n ASN 34 Cb 0.35 -0.58 0.04 0.00 -2.36 0.00 0.00 39.78 37.23 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 1.30 0.70 -0.05 -3.83 9.65 -1.88 0.45 114.38 120.71 2kmf h ARG 35 Ca 0.03 -0.04 -0.25 0.00 -1.10 0.00 0.00 59.98 58.63 2kmf h ARG 35 Cb 1.14 -0.16 0.02 0.00 -1.39 0.00 0.00 29.97 29.58 2kmf h ARG 35 CO 0.22 0.47 -0.93 0.37 2.80 0.00 0.00 179.97 182.90 2kmf h GLN 36 N 0.72 0.72 -0.31 0.20 5.75 -1.88 -3.03 115.11 117.28 2kmf h GLN 36 Ca 0.21 -0.70 -0.07 0.00 -0.15 0.00 0.00 58.65 57.94 2kmf h GLN 36 Cb -0.05 0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.67 2kmf h GLN 36 CO -0.06 1.29 -0.07 1.49 -2.65 0.00 0.00 178.83 178.83 2kmf h GLU 37 N 0.41 0.59 -0.43 1.69 4.81 -1.77 -2.66 114.58 117.22 2kmf h GLU 37 Ca -0.10 -0.23 -0.06 0.00 -0.13 0.00 0.00 59.36 58.84 2kmf h GLU 37 Cb 1.57 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.90 2kmf h GLU 37 CO 0.18 0.78 0.01 -0.24 -0.73 0.00 0.00 179.01 179.01 2kmf h VAL 38 N 0.37 1.23 -0.53 0.32 3.04 -0.22 -1.89 116.25 118.56 2kmf h VAL 38 Ca 0.08 -0.92 -0.03 0.00 -1.01 0.00 0.00 66.70 64.82 2kmf h VAL 38 Cb 0.56 0.89 -0.02 0.00 -2.01 0.00 0.00 31.29 30.70 2kmf h VAL 38 CO 0.03 0.32 0.21 1.56 -1.01 0.00 0.00 177.57 178.68 2kmf h GLN 39 N 0.66 0.79 -0.73 4.17 4.20 -1.46 -1.09 115.11 121.66 2kmf h GLN 39 Ca 0.13 -0.14 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 2kmf h GLN 39 Cb 0.40 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 2kmf h GLN 39 CO 0.01 0.69 0.25 -0.44 -0.67 0.00 0.00 178.83 178.68 2kmf h ASP 40 N 0.72 1.04 -0.05 1.46 3.32 -1.14 0.87 116.42 122.64 2kmf h ASP 40 Ca 0.18 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 2kmf h ASP 40 Cb 0.20 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 2kmf h ASP 40 CO -0.01 0.96 0.02 0.74 -1.72 0.00 0.00 179.24 179.23 2kmf h THR 41 N 1.06 1.09 -0.71 0.35 2.02 -1.03 -2.02 112.91 113.67 2kmf h THR 41 Ca 0.24 -0.27 -0.07 0.00 0.77 0.00 0.00 66.41 67.08 2kmf h THR 41 Cb 0.28 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 2kmf h THR 41 CO -0.01 0.08 0.19 0.00 0.37 0.00 0.00 175.52 176.14 2kmf h ALA 42 N 0.91 0.98 -0.76 6.16 0.00 -1.05 -2.30 119.26 123.20 2kmf h ALA 42 Ca 0.02 -0.24 0.08 0.00 0.00 0.00 0.00 54.91 54.76 2kmf h ALA 42 Cb 0.11 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 2kmf h ALA 42 CO -0.00 0.66 0.50 0.00 0.00 0.00 0.00 179.25 180.41 2kmf h ARG 43 N 1.08 0.72 -0.55 0.00 2.47 -0.60 0.10 114.38 117.60 2kmf h ARG 43 Ca 0.23 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.88 2kmf h ARG 43 Cb 0.35 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.48 2kmf h ARG 43 CO -0.00 0.48 0.25 0.78 0.56 0.00 0.00 179.97 182.03 2kmf h GLY 44 N 0.74 0.86 1.04 0.04 0.00 -0.79 -0.92 103.07 104.04 2kmf h GLY 44 Ca 0.34 -0.44 -0.07 0.00 0.00 0.00 0.00 47.33 47.16 2kmf h GLY 44 CO -0.12 0.42 0.11 1.46 0.00 0.00 0.00 176.54 178.41 2kmf h GLN 45 N 0.74 1.01 0.37 4.80 1.08 -0.95 0.66 115.11 122.83 2kmf h GLN 45 Ca 0.19 -0.26 -0.02 0.00 -1.45 0.00 0.00 58.65 57.10 2kmf h GLN 45 Cb 0.15 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 2kmf h GLN 45 CO -0.02 0.94 -0.18 0.82 -0.95 0.00 0.00 178.83 179.44 2kmf h ILE 46 N 0.92 0.64 -0.44 2.54 2.04 -0.72 0.27 117.51 122.77 2kmf h ILE 46 Ca 0.19 -0.12 -0.06 0.00 1.00 0.00 0.00 64.86 65.87 2kmf h ILE 46 Cb 0.41 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 2kmf h ILE 46 CO 0.01 0.02 0.04 0.78 0.00 0.00 0.00 178.15 179.00 2kmf h ASN 47 N -0.56 0.73 -0.67 1.72 2.35 -1.15 -2.90 115.58 115.09 2kmf h ASN 47 Ca -0.05 -0.28 -0.07 0.00 -0.55 0.00 0.00 56.30 55.34 2kmf h ASN 47 Cb 0.42 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.57 2kmf h ASN 47 CO 0.08 0.83 0.14 0.44 -1.65 0.00 0.00 177.43 177.28 2kmf h ASP 48 N 0.60 1.04 0.73 5.81 3.32 -0.82 0.53 116.42 127.63 2kmf h ASP 48 Ca 0.13 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 2kmf h ASP 48 Cb 0.44 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.71 2kmf h ASP 48 CO 0.02 1.01 -0.41 0.22 -1.72 0.00 0.00 179.24 178.36 2kmf h TYR 49 N 1.01 -1.07 -0.11 4.55 3.20 -0.36 -1.47 116.97 122.73 2kmf h TYR 49 Ca 0.21 -0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.90 2kmf h TYR 49 Cb 0.40 0.37 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 2kmf h TYR 49 CO 0.03 -0.63 -0.61 -0.84 -1.64 0.00 0.00 178.16 174.47 2kmf h ILE 50 N -1.05 1.36 -0.28 1.81 3.07 -1.56 -2.22 117.51 118.64 2kmf h ILE 50 Ca -0.10 -1.96 0.02 0.00 1.55 0.00 0.00 64.86 64.38 2kmf h ILE 50 Cb 0.83 1.95 -0.02 0.00 -0.27 0.00 0.00 36.82 39.32 2kmf h ILE 50 CO 0.12 0.59 0.14 -1.28 -1.05 0.00 0.00 178.15 176.67 2kmf h SER 51 N 0.27 0.22 0.24 2.16 0.87 -0.81 1.95 113.55 118.45 2kmf h SER 51 Ca -0.01 0.01 -0.21 0.00 -1.23 0.00 0.00 61.79 60.35 2kmf h SER 51 Cb 1.14 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2kmf h SER 51 CO 0.10 0.16 -0.85 0.08 -0.53 0.00 0.00 176.83 175.79 2kmf h ARG 52 N 0.30 0.46 -0.64 2.24 0.11 -1.30 -3.14 114.38 112.41 2kmf h ARG 52 Ca 0.11 -0.44 0.00 0.00 0.10 0.00 0.00 59.98 59.75 2kmf h ARG 52 Cb 0.03 0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.22 2kmf h ARG 52 CO -0.07 1.08 0.00 0.66 0.10 0.00 0.00 179.97 181.74 2kmf n TYR 53 N -3.80 1.44 -0.16 4.08 4.01 -0.84 -4.43 117.16 117.46 2kmf n TYR 53 Ca -0.06 -0.55 -0.07 0.00 -0.16 0.00 0.00 57.90 57.06 2kmf n TYR 53 Cb 0.78 -0.28 0.02 0.00 -0.31 0.00 0.00 39.34 39.55 2kmf n TYR 53 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 2kmf h ARG 54 N 3.61 0.61 -0.11 -0.72 9.65 0.32 -1.71 114.38 126.03 2kmf h ARG 54 Ca 0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 2kmf h ARG 54 Cb 1.43 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.87 2kmf h ARG 54 CO 0.26 0.40 0.00 0.54 2.80 0.00 0.00 179.97 183.97 2kmf n ARG 55 N -4.77 1.57 -0.14 0.20 1.74 -1.26 -3.17 116.66 110.83 2kmf n ARG 55 Ca 0.02 -0.86 -0.05 0.00 -0.77 0.00 0.00 57.85 56.19 2kmf n ARG 55 Cb 0.03 -1.40 0.04 0.00 -1.02 0.00 0.00 32.46 30.11 2kmf n ARG 55 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2kmf h LYS 56 N 1.79 0.42 0.00 5.56 3.64 -1.57 -3.42 116.57 123.00 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 0.39 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2kmf h LYS 56 CO 0.00 0.28 0.00 0.41 -2.27 0.00 0.00 179.45 177.87 2kmf n GLY 57 N -1.23 0.53 2.48 5.01 0.00 -1.26 -4.99 105.19 105.73 2kmf n GLY 57 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 2kmf n GLY 57 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kmf n ASP 58 N 0.00 -4.59 -0.97 1.61 8.00 -1.19 -4.57 116.55 114.83 2kmf n ASP 58 Ca 0.00 0.09 0.12 0.00 0.71 0.00 0.00 54.79 55.72 2kmf n ASP 58 Cb 0.06 -3.86 -0.05 0.00 -0.02 0.00 0.00 41.12 37.26 2kmf n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kmf n ALA 59 N -2.25 -2.55 -0.05 2.24 0.00 -1.26 -4.95 120.51 111.70 2kmf n ALA 59 Ca -0.17 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2kmf n ALA 59 Cb 0.63 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 -3.70 0.46 0.21 0.00 0.00 -1.26 -4.84 105.19 96.07 2kmf n GLY 60 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.00 0.00 3.50 -0.02 0.00 -1.26 -5.05 105.19 100.35 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 -3.93 3.43 0.16 0.99 1.02 -1.26 -4.99 118.68 114.09 2kmf s LEU 62 Ca 0.00 -0.13 -0.12 0.00 0.02 0.00 0.00 54.13 53.90 2kmf s LEU 62 Cb 0.00 -1.88 0.04 0.00 0.02 0.00 0.00 46.19 44.37 2kmf s LEU 62 CO 0.00 0.08 1.64 0.11 0.02 0.00 0.00 176.35 178.20 2kmf h LYS 63 N 7.40 0.88 -0.01 1.70 1.57 -1.97 -0.91 116.57 125.23 2kmf h LYS 63 Ca -0.36 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.19 2kmf h LYS 63 Cb 1.18 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.38 2kmf h LYS 63 CO 0.62 0.86 0.01 1.03 -0.57 0.00 0.00 179.45 181.39 2kmf h SER 64 N 0.76 0.01 -0.31 0.86 0.87 -1.89 0.27 113.55 114.12 2kmf h SER 64 Ca 0.16 -0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 2kmf h SER 64 Cb 0.41 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 2kmf h SER 64 CO 0.01 0.06 0.11 0.15 -0.53 0.00 0.00 176.83 176.63 2kmf h PHE 65 N -0.04 0.48 -0.07 2.24 3.57 -1.93 0.31 116.94 121.51 2kmf h PHE 65 Ca 0.00 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 2kmf h PHE 65 Cb 0.05 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.64 2kmf h PHE 65 CO -0.06 0.48 0.02 1.15 -2.23 0.00 0.00 178.31 177.67 2kmf h THR 66 N 0.34 1.16 -0.35 4.41 2.02 -1.07 0.25 112.91 119.67 2kmf h THR 66 Ca 0.10 -0.47 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 2kmf h THR 66 Cb 0.21 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 2kmf h THR 66 CO -0.01 0.13 0.12 0.74 0.37 0.00 0.00 175.52 176.88 2kmf h THR 67 N -0.06 1.20 -0.56 3.16 2.02 -0.42 -2.91 112.91 115.34 2kmf h THR 67 Ca 0.02 -0.65 -0.04 0.00 0.77 0.00 0.00 66.41 66.52 2kmf h THR 67 Cb 0.19 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 2kmf h THR 67 CO -0.00 0.23 0.21 0.24 0.37 0.00 0.00 175.52 176.56 2kmf h MET 68 N 0.42 0.85 -0.47 6.66 2.07 -0.30 -0.27 114.93 123.88 2kmf h MET 68 Ca 0.12 -0.16 0.10 0.00 -2.07 0.00 0.00 59.70 57.68 2kmf h MET 68 Cb 0.23 -0.13 -0.10 0.00 -1.87 0.00 0.00 31.60 29.73 2kmf h MET 68 CO -0.01 0.75 -0.20 0.37 1.07 0.00 0.00 176.91 178.89 2kmf h GLN 69 N 0.77 -0.10 -0.20 1.72 4.15 -0.32 0.49 115.11 121.62 2kmf h GLN 69 Ca 0.18 0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.53 2kmf h GLN 69 Cb 0.23 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.94 2kmf h GLN 69 CO -0.01 -0.06 -0.17 1.15 -1.93 0.00 0.00 178.83 177.81 2kmf h THR 70 N -0.10 1.32 -0.03 2.39 2.02 -1.33 -1.82 112.91 115.37 2kmf h THR 70 Ca 0.22 -1.31 0.01 0.00 0.77 0.00 0.00 66.41 66.11 2kmf h THR 70 Cb 0.45 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 2kmf h THR 70 CO -0.54 0.40 -0.02 0.00 0.37 0.00 0.00 175.52 175.73 2kmf h ALA 71 N 0.66 0.01 -0.58 6.16 0.00 -0.24 0.28 119.26 125.55 2kmf h ALA 71 Ca 0.04 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2kmf h ALA 71 Cb 0.70 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2kmf h ALA 71 CO 0.04 -0.51 0.18 -0.07 0.00 0.00 0.00 179.25 178.90 2kmf h LEU 72 N -0.02 0.85 -0.56 0.00 3.38 -0.12 -1.18 115.31 117.67 2kmf h LEU 72 Ca 0.02 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 2kmf h LEU 72 Cb 0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2kmf h LEU 72 CO -0.04 0.83 0.10 0.78 0.09 0.00 0.00 178.44 180.21 2kmf h ASN 73 N 0.82 0.87 0.09 -0.43 2.35 -1.10 0.13 115.58 118.31 2kmf h ASN 73 Ca 0.19 -0.25 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 2kmf h ASN 73 Cb 0.29 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.43 2kmf h ASN 73 CO -0.01 0.90 -0.04 0.28 -1.65 0.00 0.00 177.43 176.92 2kmf h SER 74 N 0.81 -0.10 -0.10 5.81 0.02 -0.24 -1.73 113.55 118.01 2kmf h SER 74 Ca 0.17 -0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 60.93 2kmf h SER 74 Cb 0.39 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 2kmf h SER 74 CO 0.01 0.03 -0.25 0.17 -1.14 0.00 0.00 176.83 175.65 2kmf h LEU 75 N -0.23 0.54 -1.07 5.07 8.10 -1.18 -2.67 115.31 123.88 2kmf h LEU 75 Ca -0.01 -0.19 -0.03 0.00 0.11 0.00 0.00 57.88 57.76 2kmf h LEU 75 Cb 0.19 -0.15 -0.03 0.00 -0.44 0.00 0.00 40.66 40.23 2kmf h LEU 75 CO 0.02 0.79 0.27 0.00 -4.11 0.00 0.00 178.44 175.41 2kmf h ALA 76 N 1.26 1.27 -0.23 0.17 0.00 -0.59 -1.93 119.26 119.20 2kmf h ALA 76 Ca 0.07 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2kmf h ALA 76 Cb 0.69 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2kmf h ALA 76 CO 0.05 0.55 -0.12 0.78 0.00 0.00 0.00 179.25 180.51 2kmf h GLY 77 N 1.01 0.40 0.92 0.00 0.00 -0.98 -3.02 103.07 101.41 2kmf h GLY 77 Ca 0.22 -0.26 0.01 0.00 0.00 0.00 0.00 47.33 47.30 2kmf h GLY 77 CO -0.02 0.24 0.14 -0.97 0.00 0.00 0.00 176.54 175.94 2kmf h TYR 78 N 0.35 0.27 -0.20 5.60 -1.99 -1.14 1.52 116.97 121.39 2kmf h TYR 78 Ca 0.07 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.80 2kmf h TYR 78 Cb 0.43 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 39.07 2kmf h TYR 78 CO 0.01 0.16 0.10 1.88 -0.00 0.00 0.00 178.16 180.31 2kmf h TYR 79 N 0.30 0.29 -0.01 4.88 0.05 -1.50 -1.99 116.97 118.99 2kmf h TYR 79 Ca 0.10 -0.01 -0.17 0.00 0.05 0.00 0.00 58.73 58.70 2kmf h TYR 79 Cb 0.01 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 37.64 2kmf h TYR 79 CO -0.08 0.28 -0.78 1.79 -1.05 0.00 0.00 178.16 178.32 2kmf h THR 80 N 0.21 1.49 -0.22 -2.88 1.35 -1.42 1.47 112.91 112.91 2kmf h THR 80 Ca 0.07 -2.49 -0.01 0.00 -0.55 0.00 0.00 66.41 63.43 2kmf h THR 80 Cb 0.10 2.36 -0.01 0.00 -1.73 0.00 0.00 68.15 68.86 2kmf h THR 80 CO -0.01 0.72 0.09 -1.28 -0.25 0.00 0.00 175.52 174.80 2kmf h SER 81 N 0.08 0.30 0.00 5.36 0.87 0.23 -3.31 113.55 117.08 2kmf h SER 81 Ca -0.02 -0.15 -0.08 0.00 -1.23 0.00 0.00 61.79 60.31 2kmf h SER 81 Cb 1.37 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.24 2kmf h SER 81 CO 0.11 0.37 -1.76 -1.22 -0.53 0.00 0.00 176.83 173.80 2kmf n TYR 82 N -4.82 0.00 0.00 2.24 4.01 -0.76 -5.07 117.16 112.76 2kmf n TYR 82 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 2kmf n TYR 82 Cb 0.12 -0.44 0.00 0.00 -0.31 0.00 0.00 39.34 38.71 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 1.81 0.72 0.27 2.72 0.00 0.50 -4.34 105.19 106.87 2kmf n GLY 83 Ca -0.09 -1.37 0.13 0.00 0.00 0.00 0.00 46.02 44.69 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 1.13 2.60 -1.70 4.61 0.00 -1.26 -4.35 120.51 121.55 2kmf n ALA 84 Ca 0.00 -0.33 -0.39 0.00 0.00 0.00 0.00 53.44 52.72 2kmf n ALA 84 Cb 0.00 -1.27 0.04 0.00 0.00 0.00 0.00 19.45 18.21 2kmf n ALA 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kmf n ARG 85 N -0.31 1.56 -2.32 0.00 3.00 -1.26 -4.85 116.66 112.48 2kmf n ARG 85 Ca 0.19 0.57 -0.40 0.00 -0.01 0.00 0.00 57.85 58.20 2kmf n ARG 85 Cb 0.22 -2.41 -0.03 0.00 0.00 0.00 0.00 32.46 30.25 2kmf n ARG 85 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2kmf s PRO 86 N -2.64 4.35 0.11 5.56 0.04 -1.26 -4.88 135.00 136.29 2kmf s PRO 86 Ca 0.69 1.91 -0.31 0.00 0.04 0.00 0.00 61.00 63.33 2kmf s PRO 86 Cb -0.45 -2.96 -0.09 0.00 0.04 0.00 0.00 34.50 31.04 2kmf s PRO 86 CO 0.51 -0.08 1.54 0.42 0.04 0.00 0.00 177.00 179.44 2kmf s ILE 87 N -1.26 2.97 0.72 0.56 1.01 -1.26 -4.95 121.20 118.99 2kmf s ILE 87 Ca 0.50 0.61 -0.16 0.00 0.00 0.00 0.00 60.65 61.60 2kmf s ILE 87 Cb -0.33 -3.39 -0.06 0.00 0.01 0.00 0.00 42.46 38.69 2kmf s ILE 87 CO 0.43 0.03 0.37 -2.65 0.00 0.00 0.00 174.94 173.12 2kmf n PRO 88 N 4.57 0.24 -0.03 2.79 -0.02 -1.26 -4.72 135.00 136.57 2kmf n PRO 88 Ca 0.14 0.11 -0.01 0.00 -2.02 0.00 0.00 63.50 61.72 2kmf n PRO 88 Cb 0.40 -1.69 0.27 0.00 -0.02 0.00 0.00 33.50 32.46 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 -0.39 0.60 -0.23 -0.52 4.39 -1.99 -1.64 114.58 114.80 2kmf h GLU 89 Ca -0.45 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.12 2kmf h GLU 89 Cb 1.36 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.91 2kmf h GLU 89 CO 0.41 0.61 0.13 0.87 -1.16 0.00 0.00 179.01 179.86 2kmf h LYS 90 N 0.57 0.32 -0.57 2.33 1.57 -2.00 -1.35 116.57 117.44 2kmf h LYS 90 Ca 0.12 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 2kmf h LYS 90 Cb 0.34 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 2kmf h LYS 90 CO 0.01 0.29 0.11 1.25 -0.57 0.00 0.00 179.45 180.54 2kmf h LEU 91 N 0.26 0.89 -0.44 2.94 5.85 -1.85 -2.52 115.31 120.44 2kmf h LEU 91 Ca 0.08 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.61 2kmf h LEU 91 Cb 0.07 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 2kmf h LEU 91 CO -0.01 0.91 0.16 0.50 -0.34 0.00 0.00 178.44 179.65 2kmf h LYS 92 N 0.83 0.32 -0.61 1.25 3.64 -1.04 0.30 116.57 121.26 2kmf h LYS 92 Ca 0.17 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 2kmf h LYS 92 Cb 0.39 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 2kmf h LYS 92 CO 0.01 0.21 0.31 0.87 -2.27 0.00 0.00 179.45 178.57 2kmf h LYS 93 N 0.33 0.88 -0.48 1.90 1.57 -1.12 -1.65 116.57 117.99 2kmf h LYS 93 Ca 0.20 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 2kmf h LYS 93 Cb 0.19 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2kmf h LYS 93 CO -0.21 0.70 -0.05 -0.09 -0.57 0.00 0.00 179.45 179.23 2kmf h ARG 94 N 0.84 0.89 -0.90 3.15 2.43 -0.96 -3.05 114.38 116.78 2kmf h ARG 94 Ca 0.21 -0.31 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 2kmf h ARG 94 Cb 0.10 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 2kmf h ARG 94 CO -0.03 0.95 0.49 1.25 -1.51 0.00 0.00 179.97 181.12 2kmf h LEU 95 N 0.74 1.13 -0.56 3.80 5.85 -0.17 -2.28 115.31 123.82 2kmf h LEU 95 Ca 0.13 -0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.85 2kmf h LEU 95 Cb 0.58 -0.29 -0.08 0.00 0.37 0.00 0.00 40.66 41.24 2kmf h LEU 95 CO 0.03 0.91 0.11 1.56 -0.34 0.00 0.00 178.44 180.71 2kmf h GLN 96 N 1.26 0.24 -0.62 1.25 1.08 -1.19 -0.55 115.11 116.58 2kmf h GLN 96 Ca 0.32 -0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.44 2kmf h GLN 96 Cb 0.03 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.39 2kmf h GLN 96 CO -0.05 0.16 0.15 -0.07 -0.95 0.00 0.00 178.83 178.06 2kmf h LEU 97 N 0.24 0.94 -0.51 1.46 -0.00 -1.48 -1.71 115.31 114.26 2kmf h LEU 97 Ca 0.29 -0.24 0.07 0.00 -0.00 0.00 0.00 57.88 58.00 2kmf h LEU 97 Cb 0.41 -0.25 -0.06 0.00 -0.00 0.00 0.00 40.66 40.76 2kmf h LEU 97 CO -0.38 0.93 0.17 -0.33 -0.00 0.00 0.00 178.44 178.84 2kmf h GLU 98 N 0.91 0.34 -0.23 1.13 4.39 -0.59 -0.65 114.58 119.88 2kmf h GLU 98 Ca 0.19 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.77 2kmf h GLU 98 Cb 0.36 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 2kmf h GLU 98 CO 0.00 0.22 -0.30 0.74 -1.16 0.00 0.00 179.01 178.52 2kmf h PHE 99 N 0.35 0.52 -0.57 4.33 0.04 -1.05 -2.46 116.94 118.10 2kmf h PHE 99 Ca 0.25 -0.12 -0.00 0.00 2.80 0.00 0.00 57.97 60.90 2kmf h PHE 99 Cb 0.28 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.28 2kmf h PHE 99 CO -0.17 0.71 0.35 1.15 -0.60 0.00 0.00 178.31 179.75 2kmf h THR 100 N 0.40 1.16 -0.52 -1.55 2.02 -0.23 -0.94 112.91 113.24 2kmf h THR 100 Ca 0.05 -0.35 -0.08 0.00 0.77 0.00 0.00 66.41 66.80 2kmf h THR 100 Cb 0.73 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 2kmf h THR 100 CO 0.06 0.16 0.00 1.56 0.37 0.00 0.00 175.52 177.67 2kmf h GLN 101 N 0.76 0.89 0.17 6.66 4.20 -1.04 -1.58 115.11 125.17 2kmf h GLN 101 Ca 0.20 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 2kmf h GLN 101 Cb -0.04 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.65 2kmf h GLN 101 CO -0.04 0.88 -0.08 0.00 -0.67 0.00 0.00 178.83 178.92 2kmf h ALA 102 N 1.17 -0.23 -0.22 3.87 0.00 -0.94 -1.71 119.26 121.21 2kmf h ALA 102 Ca 0.16 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2kmf h ALA 102 Cb 0.49 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2kmf h ALA 102 CO 0.02 -0.52 -0.09 1.05 0.00 0.00 0.00 179.25 179.71 2kmf h GLU 103 N -0.44 0.35 -0.60 0.00 4.11 -1.17 -2.20 114.58 114.63 2kmf h GLU 103 Ca -0.02 -0.08 -0.06 0.00 0.07 0.00 0.00 59.36 59.26 2kmf h GLU 103 Cb 0.34 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 2kmf h GLU 103 CO 0.04 0.46 0.13 0.00 0.07 0.00 0.00 179.01 179.71 2kmf h ARG 104 N 0.34 0.95 -0.06 1.06 2.47 -1.15 -2.24 114.38 115.74 2kmf h ARG 104 Ca 0.07 -0.21 -0.06 0.00 -1.26 0.00 0.00 59.98 58.52 2kmf h ARG 104 Cb 0.38 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.56 2kmf h ARG 104 CO 0.02 0.86 -0.22 0.77 0.56 0.00 0.00 179.97 181.95 2kmf h SER 105 N 0.91 0.09 -0.64 7.04 0.02 -0.68 -2.75 113.55 117.54 2kmf h SER 105 Ca 0.19 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 2kmf h SER 105 Cb 0.34 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 2kmf h SER 105 CO 0.00 0.33 0.29 0.40 -1.14 0.00 0.00 176.83 176.71 2kmf h ILE 106 N 0.09 1.22 -0.57 3.27 1.08 -1.14 0.45 117.51 121.91 2kmf h ILE 106 Ca 0.02 -0.65 0.11 0.00 -0.39 0.00 0.00 64.86 63.95 2kmf h ILE 106 Cb 0.45 0.47 -0.09 0.00 -3.07 0.00 0.00 36.82 34.59 2kmf h ILE 106 CO 0.03 0.26 0.08 -0.08 -0.69 0.00 0.00 178.15 177.76 2kmf h GLU 107 N 0.88 0.20 0.00 2.37 4.81 -1.41 0.08 114.58 121.51 2kmf h GLU 107 Ca 0.22 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.39 2kmf h GLU 107 Cb 0.14 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2kmf h GLU 107 CO -0.02 0.13 -0.43 0.07 -0.73 0.00 0.00 179.01 178.03 2kmf h ARG 108 N 0.20 0.00 -4.60 1.92 0.11 -1.56 -3.48 114.38 106.98 2kmf h ARG 108 Ca 0.30 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.27 2kmf h ARG 108 Cb 0.45 0.00 0.09 0.00 1.11 0.00 0.00 29.97 31.62 2kmf h ARG 108 CO -0.42 0.19 -0.39 0.41 0.10 0.00 0.00 179.97 179.86 2kmf n GLY 109 N 1.18 -0.60 0.00 0.08 0.00 0.16 -5.13 105.19 100.88 2kmf n GLY 109 Ca 0.02 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.31 2kmf n GLY 109 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65