#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 3.17 0.44 1.61 0.04 -1.26 -5.01 135.00 133.99 2kmf s PRO -3 Ca 0.00 1.56 -0.23 0.00 0.04 0.00 0.00 61.00 62.37 2kmf s PRO -3 Cb 0.00 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.47 2kmf s PRO -3 CO 0.00 -0.98 1.07 -0.51 0.04 0.00 0.00 177.00 176.61 2kmf s LEU -2 N -4.12 4.02 0.00 -3.56 1.43 -1.26 -4.07 118.68 111.13 2kmf s LEU -2 Ca 0.71 2.05 0.00 0.00 -1.03 0.00 0.00 54.13 55.87 2kmf s LEU -2 Cb -0.23 -4.31 0.00 0.00 0.03 0.00 0.00 46.19 41.68 2kmf s LEU -2 CO 0.31 -0.66 0.00 0.61 0.23 0.00 0.00 176.35 176.84 2kmf n GLY -1 N 0.19 1.94 3.77 -3.19 0.00 -1.26 -5.01 105.19 101.63 2kmf n GLY -1 Ca 0.07 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.08 2kmf n GLY -1 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kmf s SER 0 N 0.00 6.66 -0.18 1.61 0.01 -1.26 -5.02 113.70 115.51 2kmf s SER 0 Ca 0.00 2.26 -0.10 0.00 1.31 0.00 0.00 55.95 59.42 2kmf s SER 0 Cb 0.00 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.57 2kmf s SER 0 CO 0.00 -0.58 0.15 0.00 0.41 0.00 0.00 173.24 173.22 2kmf h ASP 2 N 6.32 0.00 0.00 0.00 3.32 -1.95 -3.46 116.42 120.65 2kmf h ASP 2 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2kmf h ASP 2 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 2kmf h ASP 2 CO 0.72 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.70 2kmf n SER 3 N -2.68 0.00 -3.61 6.45 3.41 -1.26 -3.59 113.62 112.33 2kmf n SER 3 Ca 0.02 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.35 2kmf n SER 3 Cb 0.31 -1.57 0.04 0.00 -0.26 0.00 0.00 64.21 62.74 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 -2.00 -1.05 0.26 5.00 0.00 -1.26 -4.87 105.19 101.27 2kmf n GLY 4 Ca 0.00 0.48 -0.02 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.59 1.23 0.00 2.61 1.35 -1.93 -3.46 112.91 111.12 2kmf h THR 5 Ca -0.62 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 64.26 2kmf h THR 5 Cb 1.34 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 2kmf h THR 5 CO 0.46 0.32 0.00 0.61 -0.25 0.00 0.00 175.52 176.66 2kmf n GLY 6 N -0.67 0.50 3.78 5.82 0.00 -1.26 -4.90 105.19 108.45 2kmf n GLY 6 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 3.89 0.00 0.99 1.43 -1.26 -4.96 118.68 118.77 2kmf s LEU 7 Ca 0.00 2.14 0.06 0.00 -1.03 0.00 0.00 54.13 55.30 2kmf s LEU 7 Cb 0.00 -4.43 0.03 0.00 0.03 0.00 0.00 46.19 41.82 2kmf s LEU 7 CO 0.00 -0.95 0.63 0.35 0.23 0.00 0.00 176.35 176.61 2kmf n THR 8 N -0.85 0.00 -0.03 5.49 -2.24 -1.26 -4.98 114.28 110.42 2kmf n THR 8 Ca 0.09 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 2kmf n THR 8 Cb 0.50 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.84 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 0.41 0.36 3.53 3.38 0.00 -1.26 -5.04 105.19 106.57 2kmf n GLY 9 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.58 6.32 0.53 1.61 6.03 -1.26 -4.93 114.94 120.66 2kmf s ASN 10 Ca 0.00 -0.21 0.25 0.00 -1.03 0.00 0.00 52.86 51.87 2kmf s ASN 10 Cb 0.00 -2.29 1.40 0.00 -3.03 0.00 0.00 41.25 37.33 2kmf s ASN 10 CO 0.00 -0.62 2.01 0.22 -2.03 0.00 0.00 177.10 176.68 2kmf h TYR 11 N 8.65 0.00 0.54 1.54 5.03 -1.97 0.46 116.97 131.23 2kmf h TYR 11 Ca -0.27 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.02 2kmf h TYR 11 Cb 1.11 0.00 0.01 0.00 1.55 0.00 0.00 36.73 39.40 2kmf h TYR 11 CO 0.71 0.00 -0.26 1.03 -1.32 0.00 0.00 178.16 178.32 2kmf h SER 12 N 0.00 -0.61 0.56 -2.11 0.87 -1.98 -2.73 113.55 107.54 2kmf h SER 12 Ca 0.22 -0.04 -0.18 0.00 -1.23 0.00 0.00 61.79 60.55 2kmf h SER 12 Cb 0.91 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 63.01 2kmf h SER 12 CO -0.00 -0.23 -0.81 -0.61 -0.53 0.00 0.00 176.83 174.65 2kmf h GLN 13 N -1.08 0.19 -0.41 2.24 4.15 -1.91 -3.19 115.11 115.10 2kmf h GLN 13 Ca -0.07 -0.19 -0.02 0.00 0.77 0.00 0.00 58.65 59.15 2kmf h GLN 13 Cb 0.62 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.34 2kmf h GLN 13 CO 0.12 0.90 0.19 -0.44 -1.93 0.00 0.00 178.83 177.67 2kmf h ASP 14 N 0.11 0.51 0.05 -0.69 3.32 -0.17 -0.47 116.42 119.08 2kmf h ASP 14 Ca -0.03 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 2kmf h ASP 14 Cb 1.41 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.83 2kmf h ASP 14 CO 0.12 0.44 -0.02 0.74 -1.72 0.00 0.00 179.24 178.80 2kmf h THR 15 N 0.57 0.98 0.00 0.35 2.02 -1.46 -2.31 112.91 113.06 2kmf h THR 15 Ca 0.14 -0.10 -0.07 0.00 0.77 0.00 0.00 66.41 67.16 2kmf h THR 15 Cb 0.08 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 2kmf h THR 15 CO -0.02 0.03 -0.32 0.17 0.37 0.00 0.00 175.52 175.75 2kmf h LEU 16 N -0.11 0.00 0.09 2.58 8.10 -1.61 -2.84 115.31 121.52 2kmf h LEU 16 Ca -0.01 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.98 2kmf h LEU 16 Cb 0.09 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.31 2kmf h LEU 16 CO 0.01 0.32 -0.04 0.74 -4.11 0.00 0.00 178.44 175.36 2kmf h THR 17 N 0.00 1.01 -0.47 0.15 2.02 -0.75 -0.03 112.91 114.84 2kmf h THR 17 Ca -0.00 -0.35 -0.11 0.00 0.77 0.00 0.00 66.41 66.71 2kmf h THR 17 Cb 0.95 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.58 2kmf h THR 17 CO 0.04 0.09 -0.14 1.62 0.37 0.00 0.00 175.52 177.50 2kmf h VAL 18 N -0.28 1.27 -0.33 3.16 3.04 -1.46 -2.65 116.25 119.00 2kmf h VAL 18 Ca -0.01 -1.26 -0.01 0.00 -1.01 0.00 0.00 66.70 64.41 2kmf h VAL 18 Cb 0.23 1.06 -0.02 0.00 -2.01 0.00 0.00 31.29 30.55 2kmf h VAL 18 CO 0.02 0.43 0.16 0.40 -1.01 0.00 0.00 177.57 177.58 2kmf h ILE 19 N 0.79 1.15 -0.70 3.17 2.04 -1.40 0.01 117.51 122.57 2kmf h ILE 19 Ca 0.12 -0.42 0.04 0.00 1.00 0.00 0.00 64.86 65.60 2kmf h ILE 19 Cb 0.67 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 2kmf h ILE 19 CO 0.05 0.16 0.42 0.00 0.00 0.00 0.00 178.15 178.78 2kmf h ALA 20 N 1.02 0.92 -0.46 1.87 0.00 -0.89 0.45 119.26 122.17 2kmf h ALA 20 Ca 0.11 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2kmf h ALA 20 Cb 0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2kmf h ALA 20 CO -0.02 0.17 0.15 1.15 0.00 0.00 0.00 179.25 180.70 2kmf h THR 21 N 0.81 1.22 -0.29 0.00 2.02 -1.14 -2.14 112.91 113.39 2kmf h THR 21 Ca 0.29 -0.72 -0.09 0.00 0.77 0.00 0.00 66.41 66.65 2kmf h THR 21 Cb 0.08 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 2kmf h THR 21 CO -0.13 0.26 -0.18 -0.07 0.37 0.00 0.00 175.52 175.77 2kmf h LEU 22 N 0.61 0.65 -0.27 2.58 3.38 -0.33 -1.39 115.31 120.54 2kmf h LEU 22 Ca 0.15 -0.43 0.01 0.00 0.09 0.00 0.00 57.88 57.70 2kmf h LEU 22 Cb 0.25 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2kmf h LEU 22 CO -0.01 0.94 0.17 0.03 0.09 0.00 0.00 178.44 179.66 2kmf h ARG 23 N 0.37 0.33 -0.26 1.13 3.08 -0.05 -0.80 114.38 118.18 2kmf h ARG 23 Ca 0.06 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 59.97 2kmf h ARG 23 Cb 0.71 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 2kmf h ARG 23 CO 0.05 0.22 -0.34 1.05 -1.07 0.00 0.00 179.97 179.88 2kmf h GLU 24 N 0.34 0.55 0.01 0.04 4.11 -1.42 -0.43 114.58 117.77 2kmf h GLU 24 Ca 0.10 -0.25 -0.00 0.00 0.07 0.00 0.00 59.36 59.28 2kmf h GLU 24 Cb -0.02 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2kmf h GLU 24 CO -0.04 0.82 -0.00 0.00 0.07 0.00 0.00 179.01 179.86 2kmf h ALA 25 N 1.16 -0.01 0.00 1.06 0.00 -0.83 -1.98 119.26 118.67 2kmf h ALA 25 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2kmf h ALA 25 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2kmf h ALA 25 CO 0.07 -0.46 0.00 -0.84 0.00 0.00 0.00 179.25 178.02 2kmf h ILE 26 N -0.10 0.00 -0.18 0.00 3.07 -1.13 -3.04 117.51 116.13 2kmf h ILE 26 Ca -0.00 -0.78 0.00 0.00 1.55 0.00 0.00 64.86 65.63 2kmf h ILE 26 Cb 0.10 1.77 0.00 0.00 -0.27 0.00 0.00 36.82 38.41 2kmf h ILE 26 CO 0.00 0.00 0.00 -0.67 -1.05 0.00 0.00 178.15 176.43 2kmf n ASP 27 N -2.88 1.66 -4.84 2.16 2.03 -0.18 -4.91 116.55 109.59 2kmf n ASP 27 Ca 0.04 -1.73 -0.32 0.00 0.52 0.00 0.00 54.79 53.30 2kmf n ASP 27 Cb 0.46 -0.12 -0.04 0.00 -0.72 0.00 0.00 41.12 40.71 2kmf n ASP 27 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 2kmf s LEU 28 N -1.52 3.65 0.41 -2.67 2.34 -0.77 -5.00 118.68 115.13 2kmf s LEU 28 Ca 0.31 1.53 -0.24 0.00 0.06 0.00 0.00 54.13 55.79 2kmf s LEU 28 Cb 0.17 -4.46 -0.09 0.00 -0.56 0.00 0.00 46.19 41.25 2kmf s LEU 28 CO 0.25 -0.56 1.05 -2.16 -1.06 0.00 0.00 176.35 173.87 2kmf s PRO 29 N -4.02 4.14 0.04 1.48 0.04 -1.26 -4.90 135.00 130.51 2kmf s PRO 29 Ca 0.58 1.50 0.08 0.00 0.04 0.00 0.00 61.00 63.20 2kmf s PRO 29 Cb -0.10 -2.51 0.35 0.00 0.04 0.00 0.00 34.50 32.28 2kmf s PRO 29 CO 0.31 -0.17 1.24 1.04 0.04 0.00 0.00 177.00 179.46 2kmf n GLN 30 N -0.14 0.02 0.00 4.56 3.00 -1.26 -0.73 117.38 122.83 2kmf n GLN 30 Ca 0.05 0.42 0.14 0.00 -0.01 0.00 0.00 57.00 57.60 2kmf n GLN 30 Cb 0.50 -1.55 0.45 0.00 0.00 0.00 0.00 30.24 29.64 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 -1.59 1.30 -4.67 1.08 8.00 -1.26 -4.89 116.55 114.51 2kmf n ASP 31 Ca 0.01 -1.23 -0.42 0.00 0.71 0.00 0.00 54.79 53.86 2kmf n ASP 31 Cb 0.07 0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.20 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 -2.23 3.63 -0.42 2.24 0.00 0.09 -4.89 121.76 120.18 2kmf s ALA 32 Ca 0.32 0.94 0.26 0.00 0.00 0.00 0.00 51.96 53.48 2kmf s ALA 32 Cb 0.20 -3.69 0.93 0.00 0.00 0.00 0.00 23.12 20.57 2kmf s ALA 32 CO 0.42 -1.19 1.78 -1.00 0.00 0.00 0.00 175.76 175.76 2kmf h PRO 33 N 8.72 0.00 -0.70 0.00 0.13 -1.90 -2.95 132.00 135.31 2kmf h PRO 33 Ca -0.39 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.69 2kmf h PRO 33 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 2kmf h PRO 33 CO 0.94 0.00 0.07 0.27 -0.23 0.00 0.00 178.00 179.04 2kmf n ASN 34 N -2.55 4.73 -0.24 1.44 2.04 -1.26 -4.44 115.26 114.98 2kmf n ASN 34 Ca 0.03 -2.83 -0.05 0.00 -0.44 0.00 0.00 54.58 51.29 2kmf n ASN 34 Cb 0.34 -0.67 0.05 0.00 -2.53 0.00 0.00 39.78 36.97 2kmf n ASN 34 CO 0.00 0.00 0.00 -0.09 -0.44 0.00 0.00 177.26 176.73 2kmf h ARG 35 N 2.97 0.91 -0.10 -3.83 2.43 -1.89 -1.74 114.38 113.14 2kmf h ARG 35 Ca 0.06 -0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 59.07 2kmf h ARG 35 Cb 1.82 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 31.16 2kmf h ARG 35 CO 0.47 0.62 -0.36 0.37 -1.51 0.00 0.00 179.97 179.56 2kmf h GLN 36 N 0.93 0.20 -0.25 0.20 5.75 -1.87 -2.91 115.11 117.16 2kmf h GLN 36 Ca 0.25 -0.09 -0.02 0.00 -0.15 0.00 0.00 58.65 58.65 2kmf h GLN 36 Cb -0.07 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 2kmf h GLN 36 CO -0.05 0.55 0.10 1.49 -2.65 0.00 0.00 178.83 178.26 2kmf h GLU 37 N 0.18 0.39 -0.24 1.69 4.57 -1.64 -2.48 114.58 117.04 2kmf h GLU 37 Ca 0.02 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.07 2kmf h GLU 37 Cb 0.73 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.24 2kmf h GLU 37 CO 0.06 0.43 -0.10 -0.39 -1.18 0.00 0.00 179.01 177.83 2kmf h VAL 38 N 0.26 1.20 -0.15 0.32 -1.51 -1.35 -1.71 116.25 113.30 2kmf h VAL 38 Ca 0.08 -0.86 -0.00 0.00 -1.23 0.00 0.00 66.70 64.69 2kmf h VAL 38 Cb 0.20 1.12 -0.01 0.00 -2.13 0.00 0.00 31.29 30.47 2kmf h VAL 38 CO -0.01 0.28 0.09 1.56 -1.23 0.00 0.00 177.57 178.27 2kmf h GLN 39 N 0.37 0.21 -0.61 5.19 4.20 -1.29 0.29 115.11 123.47 2kmf h GLN 39 Ca 0.08 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 2kmf h GLN 39 Cb 0.40 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 2kmf h GLN 39 CO 0.02 0.19 0.18 -0.44 -0.67 0.00 0.00 178.83 178.11 2kmf h ASP 40 N 0.17 0.91 -0.17 1.46 3.32 -1.20 0.21 116.42 121.12 2kmf h ASP 40 Ca 0.06 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 2kmf h ASP 40 Cb 0.03 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 2kmf h ASP 40 CO -0.01 0.88 0.08 0.74 -1.72 0.00 0.00 179.24 179.21 2kmf h THR 41 N 0.88 1.14 -0.57 0.35 2.02 -1.01 -2.39 112.91 113.33 2kmf h THR 41 Ca 0.20 -0.40 -0.08 0.00 0.77 0.00 0.00 66.41 66.90 2kmf h THR 41 Cb 0.31 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 2kmf h THR 41 CO -0.00 0.13 0.06 0.00 0.37 0.00 0.00 175.52 176.08 2kmf h ALA 42 N 0.93 0.76 -0.80 6.16 0.00 -0.28 -2.67 119.26 123.36 2kmf h ALA 42 Ca 0.06 -0.27 0.15 0.00 0.00 0.00 0.00 54.91 54.85 2kmf h ALA 42 Cb 0.14 -0.21 -0.10 0.00 0.00 0.00 0.00 17.79 17.62 2kmf h ALA 42 CO -0.01 0.54 0.36 -0.09 0.00 0.00 0.00 179.25 180.05 2kmf h ARG 43 N 0.86 0.49 -0.60 0.00 9.65 -0.39 0.26 114.38 124.65 2kmf h ARG 43 Ca 0.17 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 58.98 2kmf h ARG 43 Cb 0.46 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.90 2kmf h ARG 43 CO 0.02 0.33 0.21 0.78 2.80 0.00 0.00 179.97 184.11 2kmf h GLY 44 N 0.51 0.99 1.02 2.80 0.00 -1.14 -2.04 103.07 105.21 2kmf h GLY 44 Ca 0.44 -0.56 -0.05 0.00 0.00 0.00 0.00 47.33 47.16 2kmf h GLY 44 CO -0.40 0.53 0.19 1.46 0.00 0.00 0.00 176.54 178.32 2kmf h GLN 45 N 0.85 0.99 0.51 4.80 1.08 -0.55 0.17 115.11 122.96 2kmf h GLN 45 Ca 0.20 -0.22 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 2kmf h GLN 45 Cb 0.25 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 2kmf h GLN 45 CO -0.01 0.88 -0.24 0.82 -0.95 0.00 0.00 178.83 179.32 2kmf h ILE 46 N 0.92 0.50 -0.49 2.54 2.04 -0.36 0.27 117.51 122.93 2kmf h ILE 46 Ca 0.20 -0.08 -0.07 0.00 1.00 0.00 0.00 64.86 65.91 2kmf h ILE 46 Cb 0.30 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 2kmf h ILE 46 CO -0.01 0.01 0.01 0.78 0.00 0.00 0.00 178.15 178.95 2kmf h ASN 47 N -0.73 0.83 -0.51 1.72 2.35 -1.35 -2.89 115.58 115.00 2kmf h ASN 47 Ca -0.07 -0.30 -0.08 0.00 -0.55 0.00 0.00 56.30 55.30 2kmf h ASN 47 Cb 0.54 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 2kmf h ASN 47 CO 0.11 0.93 0.04 -0.78 -1.65 0.00 0.00 177.43 176.07 2kmf h ASP 48 N 0.71 0.89 0.72 5.81 1.82 -0.61 0.15 116.42 125.91 2kmf h ASP 48 Ca 0.14 -0.22 -0.04 0.00 -0.39 0.00 0.00 57.03 56.53 2kmf h ASP 48 Cb 0.49 -0.24 0.01 0.00 0.68 0.00 0.00 39.33 40.27 2kmf h ASP 48 CO 0.02 0.93 -0.34 0.22 -1.61 0.00 0.00 179.24 178.46 2kmf h TYR 49 N 0.86 -0.89 -0.27 0.28 3.20 -0.33 -1.98 116.97 117.85 2kmf h TYR 49 Ca 0.17 -0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.83 2kmf h TYR 49 Cb 0.46 0.29 0.00 0.00 1.54 0.00 0.00 36.73 39.03 2kmf h TYR 49 CO 0.03 -0.55 -0.56 -0.84 -1.64 0.00 0.00 178.16 174.60 2kmf h ILE 50 N -0.98 1.28 -0.36 1.81 3.07 -1.53 -2.57 117.51 118.24 2kmf h ILE 50 Ca -0.10 -1.75 0.06 0.00 1.55 0.00 0.00 64.86 64.62 2kmf h ILE 50 Cb 0.74 1.69 -0.05 0.00 -0.27 0.00 0.00 36.82 38.93 2kmf h ILE 50 CO 0.16 0.57 0.04 -1.28 -1.05 0.00 0.00 178.15 176.59 2kmf h SER 51 N 0.63 -0.06 -0.20 2.16 0.87 -0.69 2.22 113.55 118.48 2kmf h SER 51 Ca 0.01 0.07 -0.18 0.00 -1.23 0.00 0.00 61.79 60.46 2kmf h SER 51 Cb 1.17 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 63.24 2kmf h SER 51 CO 0.12 0.01 -0.55 0.08 -0.53 0.00 0.00 176.83 175.96 2kmf h ARG 52 N 0.15 0.79 -0.66 2.24 0.11 -1.42 -3.01 114.38 112.59 2kmf h ARG 52 Ca 0.17 -0.50 0.00 0.00 0.10 0.00 0.00 59.98 59.75 2kmf h ARG 52 Cb 0.22 0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.36 2kmf h ARG 52 CO -0.25 1.13 0.00 0.66 0.10 0.00 0.00 179.97 181.61 2kmf n TYR 53 N -3.99 1.49 -0.09 4.08 4.01 -0.93 -4.35 117.16 117.38 2kmf n TYR 53 Ca -0.04 -0.54 -0.12 0.00 -0.16 0.00 0.00 57.90 57.05 2kmf n TYR 53 Cb 0.62 -0.35 -0.04 0.00 -0.31 0.00 0.00 39.34 39.26 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 3.21 0.52 -0.00 -0.72 2.43 0.38 -2.73 114.38 117.47 2kmf h ARG 54 Ca 0.00 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 2kmf h ARG 54 Cb 1.51 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.03 2kmf h ARG 54 CO 0.32 0.72 -0.02 2.89 -1.51 0.00 0.00 179.97 182.38 2kmf n ARG 55 N -4.53 0.88 -0.06 0.20 1.85 -1.26 -2.51 116.66 111.24 2kmf n ARG 55 Ca -0.03 -0.12 -0.09 0.00 -1.00 0.00 0.00 57.85 56.60 2kmf n ARG 55 Cb 0.30 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.19 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 0.30 0.29 0.00 2.89 3.64 -1.74 -3.43 116.57 118.53 2kmf h LYS 56 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2kmf h LYS 56 Cb 0.17 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2kmf h LYS 56 CO 0.00 0.19 0.00 0.41 -2.27 0.00 0.00 179.45 177.78 2kmf n GLY 57 N -1.16 0.60 2.51 5.01 0.00 -1.25 -4.99 105.19 105.91 2kmf n GLY 57 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 2kmf n GLY 57 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kmf n ASP 58 N 0.00 -4.59 -2.18 1.61 2.03 -1.04 -3.70 116.55 108.68 2kmf n ASP 58 Ca 0.00 0.08 -0.02 0.00 0.52 0.00 0.00 54.79 55.37 2kmf n ASP 58 Cb 0.02 -3.85 -0.01 0.00 -0.72 0.00 0.00 41.12 36.56 2kmf n ASP 58 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kmf n ALA 59 N -2.31 -3.36 -2.31 -1.67 0.00 -1.26 -5.04 120.51 104.56 2kmf n ALA 59 Ca -0.17 0.85 -0.01 0.00 0.00 0.00 0.00 53.44 54.11 2kmf n ALA 59 Cb 0.63 -1.66 0.02 0.00 0.00 0.00 0.00 19.45 18.44 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 0.69 -0.23 0.00 0.00 0.00 -1.24 -4.98 105.19 99.42 2kmf n GLY 60 Ca -0.12 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.29 0.36 3.53 -0.02 0.00 -1.26 -5.11 105.19 102.40 2kmf n GLY 61 Ca -0.05 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 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 4.08 0.16 0.99 1.02 -1.26 -4.97 118.68 118.70 2kmf s LEU 62 Ca 0.00 -0.21 -0.12 0.00 0.02 0.00 0.00 54.13 53.82 2kmf s LEU 62 Cb 0.00 -2.08 0.03 0.00 0.02 0.00 0.00 46.19 44.16 2kmf s LEU 62 CO 0.00 -0.11 1.63 0.11 0.02 0.00 0.00 176.35 178.00 2kmf h LYS 63 N 8.38 0.89 -0.13 1.70 1.57 -1.97 -1.18 116.57 125.82 2kmf h LYS 63 Ca -0.34 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.18 2kmf h LYS 63 Cb 1.17 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 2kmf h LYS 63 CO 0.58 0.88 0.08 1.03 -0.57 0.00 0.00 179.45 181.45 2kmf h SER 64 N 0.76 0.16 -0.27 0.86 0.87 -1.88 0.37 113.55 114.42 2kmf h SER 64 Ca 0.15 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 2kmf h SER 64 Cb 0.45 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 2kmf h SER 64 CO 0.02 0.18 0.11 0.15 -0.53 0.00 0.00 176.83 176.76 2kmf h PHE 65 N 0.13 0.42 -0.16 2.24 3.57 -1.93 0.30 116.94 121.50 2kmf h PHE 65 Ca 0.05 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 2kmf h PHE 65 Cb 0.05 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 2kmf h PHE 65 CO -0.05 0.42 0.04 1.15 -2.23 0.00 0.00 178.31 177.64 2kmf h THR 66 N 0.30 1.19 -0.33 4.41 2.02 -1.09 0.18 112.91 119.59 2kmf h THR 66 Ca 0.09 -0.60 -0.02 0.00 0.77 0.00 0.00 66.41 66.66 2kmf h THR 66 Cb 0.17 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 2kmf h THR 66 CO -0.01 0.18 0.15 0.74 0.37 0.00 0.00 175.52 176.95 2kmf h THR 67 N 0.07 1.17 -0.55 3.16 2.02 -0.18 -2.87 112.91 115.73 2kmf h THR 67 Ca 0.05 -0.51 -0.05 0.00 0.77 0.00 0.00 66.41 66.67 2kmf h THR 67 Cb 0.24 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 2kmf h THR 67 CO -0.00 0.18 0.13 0.24 0.37 0.00 0.00 175.52 176.44 2kmf h MET 68 N 0.39 0.88 -0.28 6.66 2.07 -0.34 -1.45 114.93 122.86 2kmf h MET 68 Ca 0.11 -0.21 0.06 0.00 -2.07 0.00 0.00 59.70 57.59 2kmf h MET 68 Cb 0.15 -0.12 -0.08 0.00 -1.87 0.00 0.00 31.60 29.69 2kmf h MET 68 CO -0.01 0.83 -0.38 0.37 1.07 0.00 0.00 176.91 178.78 2kmf h GLN 69 N 0.78 -0.35 -0.28 1.72 4.15 -0.43 0.62 115.11 121.33 2kmf h GLN 69 Ca 0.17 0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.59 2kmf h GLN 69 Cb 0.34 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 2kmf h GLN 69 CO 0.00 -0.23 0.06 1.15 -1.93 0.00 0.00 178.83 177.87 2kmf h THR 70 N -0.36 1.22 0.11 2.39 2.02 -1.43 -0.79 112.91 116.05 2kmf h THR 70 Ca 0.12 -0.75 -0.01 0.00 0.77 0.00 0.00 66.41 66.55 2kmf h THR 70 Cb 0.58 1.18 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 2kmf h THR 70 CO -0.48 0.24 -0.05 0.00 0.37 0.00 0.00 175.52 175.60 2kmf h ALA 71 N 0.88 -0.14 -0.65 6.16 0.00 -0.64 0.26 119.26 125.13 2kmf h ALA 71 Ca 0.09 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2kmf h ALA 71 Cb 0.31 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2kmf h ALA 71 CO 0.00 -0.55 0.25 -0.07 0.00 0.00 0.00 179.25 178.89 2kmf h LEU 72 N -0.20 0.90 -0.69 0.00 4.07 0.20 -2.35 115.31 117.24 2kmf h LEU 72 Ca -0.01 -0.18 -0.07 0.00 0.08 0.00 0.00 57.88 57.70 2kmf h LEU 72 Cb 0.16 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 41.64 2kmf h LEU 72 CO 0.02 0.83 0.17 0.78 -1.08 0.00 0.00 178.44 179.17 2kmf h ASN 73 N 0.91 1.04 0.53 -0.43 2.35 -0.99 0.35 115.58 119.35 2kmf h ASN 73 Ca 0.21 -0.23 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 2kmf h ASN 73 Cb 0.22 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.32 2kmf h ASN 73 CO -0.02 1.00 -0.28 0.28 -1.65 0.00 0.00 177.43 176.76 2kmf h SER 74 N 1.03 -0.69 0.54 5.81 0.02 -0.14 -2.89 113.55 117.23 2kmf h SER 74 Ca 0.22 0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 61.09 2kmf h SER 74 Cb 0.36 0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 2kmf h SER 74 CO 0.00 -0.47 -0.51 0.17 -1.14 0.00 0.00 176.83 174.88 2kmf h LEU 75 N -0.76 0.00 -2.00 5.07 8.10 -1.43 -2.81 115.31 121.48 2kmf h LEU 75 Ca -0.07 0.00 0.18 0.00 0.11 0.00 0.00 57.88 58.10 2kmf h LEU 75 Cb 0.59 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.79 2kmf h LEU 75 CO 0.10 0.51 0.46 0.00 -4.11 0.00 0.00 178.44 175.40 2kmf h ALA 76 N 1.49 2.59 0.00 0.17 0.00 -0.72 0.31 119.26 123.10 2kmf h ALA 76 Ca -0.01 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 2kmf h ALA 76 Cb 0.92 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2kmf h ALA 76 CO 0.07 -0.78 -0.74 0.78 0.00 0.00 0.00 179.25 178.58 2kmf h GLY 77 N 0.00 0.00 1.14 0.00 0.00 -1.36 -3.28 103.07 99.57 2kmf h GLY 77 Ca 0.30 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.57 2kmf h GLY 77 CO -0.00 0.00 0.19 -0.97 0.00 0.00 0.00 176.54 175.76 2kmf h TYR 78 N 0.00 1.11 -0.53 5.60 -1.99 -0.44 1.29 116.97 122.01 2kmf h TYR 78 Ca -0.01 -0.11 -0.01 0.00 2.00 0.00 0.00 58.73 60.60 2kmf h TYR 78 Cb 1.53 -0.32 -0.03 0.00 2.00 0.00 0.00 36.73 39.92 2kmf h TYR 78 CO 0.00 0.89 0.28 1.88 -0.00 0.00 0.00 178.16 181.22 2kmf h TYR 79 N 1.02 0.74 0.06 4.88 0.05 -1.58 -1.90 116.97 120.25 2kmf h TYR 79 Ca 0.22 -0.02 -0.30 0.00 0.05 0.00 0.00 58.73 58.67 2kmf h TYR 79 Cb 0.32 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 37.80 2kmf h TYR 79 CO 0.02 0.56 -1.66 1.79 -1.05 0.00 0.00 178.16 177.82 2kmf h THR 80 N 0.72 0.96 -0.60 -2.88 1.35 -1.61 0.17 112.91 111.01 2kmf h THR 80 Ca 0.19 -2.71 -0.01 0.00 -0.55 0.00 0.00 66.41 63.32 2kmf h THR 80 Cb 0.07 2.57 -0.03 0.00 -1.73 0.00 0.00 68.15 69.03 2kmf h THR 80 CO -0.03 0.71 0.33 0.28 -0.25 0.00 0.00 175.52 176.56 2kmf h SER 81 N 0.03 0.74 0.00 5.36 0.02 0.17 -3.23 113.55 116.64 2kmf h SER 81 Ca -0.28 -0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 60.47 2kmf h SER 81 Cb 2.00 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 64.33 2kmf h SER 81 CO 0.11 0.61 -1.96 -1.22 -1.14 0.00 0.00 176.83 173.23 2kmf n TYR 82 N -4.59 0.00 -0.13 3.45 4.01 -0.72 -5.05 117.16 114.13 2kmf n TYR 82 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 2kmf n TYR 82 Cb 0.08 -0.58 0.00 0.00 -0.31 0.00 0.00 39.34 38.53 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 1.65 0.86 1.52 2.72 0.00 0.58 -4.30 105.19 108.23 2kmf n GLY 83 Ca -0.13 -1.28 -0.07 0.00 0.00 0.00 0.00 46.02 44.54 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 3.48 3.97 -2.87 4.61 0.00 -1.26 -4.48 120.51 123.97 2kmf n ALA 84 Ca 0.00 -0.74 -0.33 0.00 0.00 0.00 0.00 53.44 52.37 2kmf n ALA 84 Cb 0.00 -1.15 -0.05 0.00 0.00 0.00 0.00 19.45 18.26 2kmf n ALA 84 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kmf s ARG 85 N -0.82 3.48 0.38 0.00 1.81 -1.26 -4.91 118.95 117.62 2kmf s ARG 85 Ca 0.14 -0.27 -0.26 0.00 -1.72 0.00 0.00 55.73 53.62 2kmf s ARG 85 Cb 0.11 -3.08 -0.09 0.00 -0.45 0.00 0.00 34.95 31.45 2kmf s ARG 85 CO 0.01 0.65 1.15 -1.25 -0.68 0.00 0.00 175.30 175.18 2kmf s PRO 86 N -1.99 4.16 0.29 3.54 0.04 -1.26 -4.88 135.00 134.90 2kmf s PRO 86 Ca 0.29 1.81 -0.29 0.00 0.04 0.00 0.00 61.00 62.84 2kmf s PRO 86 Cb -0.13 -2.75 -0.10 0.00 0.04 0.00 0.00 34.50 31.56 2kmf s PRO 86 CO 0.19 -0.22 1.42 0.42 0.04 0.00 0.00 177.00 178.86 2kmf s ILE 87 N -1.40 2.54 0.52 0.56 1.01 -1.26 -4.93 121.20 118.24 2kmf s ILE 87 Ca 0.55 0.49 -0.20 0.00 0.00 0.00 0.00 60.65 61.50 2kmf s ILE 87 Cb -0.30 -3.31 -0.09 0.00 0.01 0.00 0.00 42.46 38.76 2kmf s ILE 87 CO 0.38 0.10 0.59 -2.65 0.00 0.00 0.00 174.94 173.36 2kmf n PRO 88 N 1.61 0.62 -0.07 2.79 -0.02 -1.26 -4.72 135.00 133.96 2kmf n PRO 88 Ca 0.04 0.24 -0.02 0.00 -2.02 0.00 0.00 63.50 61.74 2kmf n PRO 88 Cb 0.40 -1.71 0.24 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 0.50 0.69 -0.19 -0.52 5.08 -1.99 -0.26 114.58 117.89 2kmf h GLU 89 Ca -0.44 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 57.76 2kmf h GLU 89 Cb 1.39 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 2kmf h GLU 89 CO 0.49 0.66 0.09 0.87 -1.00 0.00 0.00 179.01 180.12 2kmf h LYS 90 N 0.66 0.28 -0.44 2.33 1.57 -2.01 -2.64 116.57 116.31 2kmf h LYS 90 Ca 0.14 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.74 2kmf h LYS 90 Cb 0.32 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2kmf h LYS 90 CO 0.00 0.32 -0.25 1.25 -0.57 0.00 0.00 179.45 180.20 2kmf h LEU 91 N 0.17 0.97 -0.80 2.94 5.85 -1.87 -3.03 115.31 119.53 2kmf h LEU 91 Ca 0.06 -0.38 0.18 0.00 0.84 0.00 0.00 57.88 58.58 2kmf h LEU 91 Cb 0.14 -0.27 -0.11 0.00 0.37 0.00 0.00 40.66 40.79 2kmf h LEU 91 CO -0.01 1.16 0.28 0.50 -0.34 0.00 0.00 178.44 180.04 2kmf h LYS 92 N 0.80 0.34 -0.53 1.25 3.64 -0.85 0.84 116.57 122.07 2kmf h LYS 92 Ca 0.10 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2kmf h LYS 92 Cb 0.82 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.54 2kmf h LYS 92 CO 0.07 0.23 0.28 0.87 -2.27 0.00 0.00 179.45 178.63 2kmf h LYS 93 N 0.35 0.74 -0.57 1.90 1.57 -1.35 -1.50 116.57 117.71 2kmf h LYS 93 Ca 0.47 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 59.13 2kmf h LYS 93 Cb 0.82 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 2kmf h LYS 93 CO -0.50 0.58 0.25 -0.09 -0.57 0.00 0.00 179.45 179.12 2kmf h ARG 94 N 0.70 0.83 -0.80 3.15 2.43 -0.92 -2.82 114.38 116.96 2kmf h ARG 94 Ca 0.18 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 2kmf h ARG 94 Cb 0.06 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.43 2kmf h ARG 94 CO -0.03 0.70 0.41 -0.07 -1.51 0.00 0.00 179.97 179.47 2kmf h LEU 95 N 0.78 1.02 -0.45 3.80 3.38 -0.71 -1.99 115.31 121.14 2kmf h LEU 95 Ca 0.19 -0.12 0.08 0.00 0.09 0.00 0.00 57.88 58.12 2kmf h LEU 95 Cb 0.15 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.58 2kmf h LEU 95 CO -0.02 0.85 0.04 1.56 0.09 0.00 0.00 178.44 180.96 2kmf h GLN 96 N 1.12 0.16 -0.43 1.13 1.08 -1.02 -1.41 115.11 115.72 2kmf h GLN 96 Ca 0.28 -0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.41 2kmf h GLN 96 Cb 0.08 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.46 2kmf h GLN 96 CO -0.04 0.10 0.06 -0.07 -0.95 0.00 0.00 178.83 177.93 2kmf h LEU 97 N 0.16 0.70 -0.84 1.46 4.07 -1.38 -2.26 115.31 117.22 2kmf h LEU 97 Ca 0.22 -0.27 0.15 0.00 0.08 0.00 0.00 57.88 58.06 2kmf h LEU 97 Cb 0.31 -0.19 -0.09 0.00 1.08 0.00 0.00 40.66 41.77 2kmf h LEU 97 CO -0.33 0.79 0.43 -0.33 -1.08 0.00 0.00 178.44 177.92 2kmf h GLU 98 N 0.58 0.59 -0.28 1.13 5.08 -0.58 0.87 114.58 121.97 2kmf h GLU 98 Ca 0.13 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.32 2kmf h GLU 98 Cb 0.40 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2kmf h GLU 98 CO 0.01 0.39 -0.39 0.74 -1.00 0.00 0.00 179.01 178.76 2kmf h PHE 99 N 0.61 0.79 -0.70 4.33 0.04 -1.10 -2.44 116.94 118.47 2kmf h PHE 99 Ca 0.46 -0.23 0.03 0.00 2.80 0.00 0.00 57.97 61.03 2kmf h PHE 99 Cb 0.65 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 38.59 2kmf h PHE 99 CO -0.10 0.95 0.44 1.15 -0.60 0.00 0.00 178.31 180.15 2kmf h THR 100 N 0.55 1.09 -0.12 -1.55 2.02 -0.28 0.11 112.91 114.72 2kmf h THR 100 Ca 0.05 -0.29 -0.10 0.00 0.77 0.00 0.00 66.41 66.84 2kmf h THR 100 Cb 0.91 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 2kmf h THR 100 CO 0.08 0.16 -0.36 1.56 0.37 0.00 0.00 175.52 177.33 2kmf h GLN 101 N 0.86 0.25 0.08 6.66 7.50 -1.11 -2.06 115.11 127.29 2kmf h GLN 101 Ca 0.28 -0.11 -0.00 0.00 0.50 0.00 0.00 58.65 59.32 2kmf h GLN 101 Cb 0.02 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.54 2kmf h GLN 101 CO -0.11 0.59 -0.04 0.00 -1.50 0.00 0.00 178.83 177.77 2kmf h ALA 102 N 1.41 -0.11 -0.81 3.87 0.00 -0.77 -1.63 119.26 121.21 2kmf h ALA 102 Ca 0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2kmf h ALA 102 Cb 0.74 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 2kmf h ALA 102 CO 0.06 -0.23 0.42 1.05 0.00 0.00 0.00 179.25 180.55 2kmf h GLU 103 N -0.77 1.14 -0.21 0.00 4.11 -0.87 -2.37 114.58 115.60 2kmf h GLU 103 Ca -0.01 -0.14 -0.14 0.00 0.07 0.00 0.00 59.36 59.14 2kmf h GLU 103 Cb 0.59 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2kmf h GLU 103 CO 0.02 0.85 -0.45 0.07 0.07 0.00 0.00 179.01 179.57 2kmf h ARG 104 N 1.13 0.52 0.00 1.06 0.11 -1.47 -2.75 114.38 112.98 2kmf h ARG 104 Ca 0.28 -0.28 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 2kmf h ARG 104 Cb 0.06 0.01 -0.00 0.00 1.11 0.00 0.00 29.97 31.15 2kmf h ARG 104 CO -0.04 0.87 -0.03 1.03 0.10 0.00 0.00 179.97 181.90 2kmf h SER 105 N 0.43 0.00 -0.58 0.08 0.87 -0.80 -2.19 113.55 111.36 2kmf h SER 105 Ca 0.03 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 2kmf h SER 105 Cb 0.95 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.88 2kmf h SER 105 CO 0.08 0.03 0.29 0.40 -0.53 0.00 0.00 176.83 177.10 2kmf h ILE 106 N 0.00 1.20 -0.40 2.23 1.08 -1.14 -1.97 117.51 118.52 2kmf h ILE 106 Ca -0.00 -0.57 -0.04 0.00 -0.39 0.00 0.00 64.86 63.86 2kmf h ILE 106 Cb 0.06 0.52 -0.02 0.00 -3.07 0.00 0.00 36.82 34.31 2kmf h ILE 106 CO 0.00 0.23 0.07 -0.08 -0.69 0.00 0.00 178.15 177.69 2kmf h GLU 107 N 0.78 0.60 0.00 2.37 4.57 -1.51 -1.06 114.58 120.34 2kmf h GLU 107 Ca 0.20 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 2kmf h GLU 107 Cb 0.11 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.60 2kmf h GLU 107 CO -0.03 0.57 -0.11 -0.09 -1.18 0.00 0.00 179.01 178.17 2kmf h ARG 108 N 0.59 0.00 -3.03 1.92 2.43 -1.29 -3.46 114.38 111.54 2kmf h ARG 108 Ca 0.13 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 59.01 2kmf h ARG 108 Cb 0.26 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.84 2kmf h ARG 108 CO 0.00 0.11 -0.42 0.41 -1.51 0.00 0.00 179.97 178.57 2kmf n GLY 109 N -0.54 -0.19 0.00 2.80 0.00 -0.40 -5.12 105.19 101.75 2kmf n GLY 109 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2kmf n GLY 109 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65