#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 3.00 -0.11 1.61 0.04 -1.26 -5.03 135.00 133.26 2kmf s PRO -3 Ca 0.00 1.38 -0.13 0.00 0.04 0.00 0.00 61.00 62.29 2kmf s PRO -3 Cb 0.00 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.51 2kmf s PRO -3 CO 0.00 -1.09 0.30 -0.51 0.04 0.00 0.00 177.00 175.74 2kmf s LEU -2 N -4.62 4.34 -0.15 -3.56 1.43 -1.26 -4.60 118.68 110.26 2kmf s LEU -2 Ca 0.67 0.63 -0.01 0.00 -1.03 0.00 0.00 54.13 54.39 2kmf s LEU -2 Cb -0.20 -2.38 0.00 0.00 0.03 0.00 0.00 46.19 43.65 2kmf s LEU -2 CO 0.38 0.22 0.15 0.61 0.23 0.00 0.00 176.35 177.95 2kmf n GLY -1 N 2.66 -0.63 3.76 -3.19 0.00 -1.26 -4.99 105.19 101.53 2kmf n GLY -1 Ca -0.14 0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.92 5.69 0.36 1.61 0.15 -1.26 -4.91 113.70 113.41 2kmf s SER 0 Ca 0.02 2.55 0.05 0.00 0.70 0.00 0.00 55.95 59.27 2kmf s SER 0 Cb -0.01 -2.62 0.69 0.00 -1.71 0.00 0.00 66.02 62.37 2kmf s SER 0 CO 0.18 -1.27 1.94 0.00 1.20 0.00 0.00 173.24 175.29 2kmf s ASP 2 N -6.71 6.13 0.00 0.00 1.01 -1.26 -4.36 116.67 111.48 2kmf s ASP 2 Ca -0.08 -1.21 0.00 0.00 0.71 0.00 0.00 52.55 51.97 2kmf s ASP 2 Cb 0.16 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.52 2kmf s ASP 2 CO 0.75 -1.84 0.00 -0.24 0.21 0.00 0.00 175.17 174.05 2kmf n SER 3 N 10.25 0.28 -0.25 0.27 2.88 -1.26 -5.16 113.62 120.62 2kmf n SER 3 Ca 0.34 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.89 2kmf n SER 3 Cb 0.50 0.04 -0.00 0.00 -0.75 0.00 0.00 64.21 64.00 2kmf n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kmf n GLY 4 N 0.35 -1.94 0.24 0.46 0.00 -1.26 -4.16 105.19 98.89 2kmf n GLY 4 Ca 0.00 -1.36 -0.02 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.08 1.25 0.00 2.61 1.35 -1.94 -3.46 112.91 112.64 2kmf h THR 5 Ca 0.00 -1.14 0.00 0.00 -0.55 0.00 0.00 66.41 64.72 2kmf h THR 5 Cb 0.08 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 2kmf h THR 5 CO 0.00 0.37 0.00 0.61 -0.25 0.00 0.00 175.52 176.25 2kmf n GLY 6 N -0.51 0.25 3.77 5.82 0.00 -1.26 -4.97 105.19 108.30 2kmf n GLY 6 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 3.96 -0.01 0.99 1.43 -1.26 -4.96 118.68 118.84 2kmf s LEU 7 Ca 0.00 2.24 0.05 0.00 -1.03 0.00 0.00 54.13 55.40 2kmf s LEU 7 Cb 0.00 -4.32 -0.08 0.00 0.03 0.00 0.00 46.19 41.82 2kmf s LEU 7 CO 0.00 -0.94 0.13 1.07 0.23 0.00 0.00 176.35 176.84 2kmf n THR 8 N -0.64 0.00 0.00 5.49 5.66 -1.26 -4.91 114.28 118.62 2kmf n THR 8 Ca 0.08 -0.17 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 2kmf n THR 8 Cb 0.49 0.49 0.00 0.00 -1.55 0.00 0.00 70.33 69.76 2kmf n THR 8 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kmf n GLY 9 N 2.01 0.98 3.51 1.09 0.00 -1.26 -5.09 105.19 106.43 2kmf n GLY 9 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.26 6.30 0.62 1.61 6.03 -1.26 -4.91 114.94 123.06 2kmf s ASN 10 Ca 0.00 -0.41 0.32 0.00 -1.03 0.00 0.00 52.86 51.74 2kmf s ASN 10 Cb 0.00 -2.30 1.79 0.00 -3.03 0.00 0.00 41.25 37.71 2kmf s ASN 10 CO 0.00 -0.75 2.10 0.22 -2.03 0.00 0.00 177.10 176.65 2kmf h TYR 11 N 8.85 0.00 0.46 1.54 5.03 -1.98 0.42 116.97 131.30 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 1.10 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.38 2kmf h TYR 11 CO 0.71 0.00 -0.22 1.03 -1.32 0.00 0.00 178.16 178.35 2kmf h SER 12 N 0.00 -0.53 0.68 -2.11 0.87 -1.97 -3.14 113.55 107.35 2kmf h SER 12 Ca 0.06 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.43 2kmf h SER 12 Cb 0.47 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 2kmf h SER 12 CO -0.00 -0.10 -0.87 -0.61 -0.53 0.00 0.00 176.83 174.72 2kmf h GLN 13 N -1.15 0.12 -0.75 2.24 4.15 -1.92 -3.28 115.11 114.52 2kmf h GLN 13 Ca -0.06 -0.14 0.07 0.00 0.77 0.00 0.00 58.65 59.29 2kmf h GLN 13 Cb 0.50 0.04 -0.06 0.00 0.21 0.00 0.00 27.48 28.16 2kmf h GLN 13 CO 0.10 0.91 0.42 -0.44 -1.93 0.00 0.00 178.83 177.90 2kmf h ASP 14 N 0.07 0.62 -0.49 -0.69 3.32 -0.29 0.40 116.42 119.36 2kmf h ASP 14 Ca -0.03 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.07 2kmf h ASP 14 Cb 1.50 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.93 2kmf h ASP 14 CO 0.13 0.39 0.31 0.74 -1.72 0.00 0.00 179.24 179.08 2kmf h THR 15 N 0.76 1.09 -0.65 0.35 2.02 -1.60 -1.28 112.91 113.60 2kmf h THR 15 Ca 0.34 -0.21 -0.08 0.00 0.77 0.00 0.00 66.41 67.23 2kmf h THR 15 Cb 0.25 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 2kmf h THR 15 CO -0.21 0.11 0.09 0.25 0.37 0.00 0.00 175.52 176.14 2kmf h LEU 16 N 0.63 1.04 0.15 2.58 5.85 -1.34 -1.20 115.31 123.02 2kmf h LEU 16 Ca 0.19 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 2kmf h LEU 16 Cb -0.04 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.72 2kmf h LEU 16 CO -0.06 1.05 -0.08 0.74 -0.34 0.00 0.00 178.44 179.75 2kmf h THR 17 N 1.00 0.83 -0.62 1.05 2.02 0.37 0.42 112.91 117.98 2kmf h THR 17 Ca 0.20 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.28 2kmf h THR 17 Cb 0.46 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 2kmf h THR 17 CO 0.02 0.00 0.03 1.62 0.37 0.00 0.00 175.52 177.55 2kmf h VAL 18 N -0.21 1.27 -0.18 3.16 3.04 -1.25 -1.67 116.25 120.41 2kmf h VAL 18 Ca -0.02 -1.13 -0.01 0.00 -1.01 0.00 0.00 66.70 64.54 2kmf h VAL 18 Cb 0.17 0.77 -0.01 0.00 -2.01 0.00 0.00 31.29 30.21 2kmf h VAL 18 CO 0.02 0.41 0.09 0.40 -1.01 0.00 0.00 177.57 177.48 2kmf h ILE 19 N 0.98 1.13 -0.94 3.17 2.04 -0.96 0.17 117.51 123.09 2kmf h ILE 19 Ca 0.18 -0.37 0.01 0.00 1.00 0.00 0.00 64.86 65.68 2kmf h ILE 19 Cb 0.53 1.05 -0.05 0.00 -0.74 0.00 0.00 36.82 37.61 2kmf h ILE 19 CO 0.03 0.12 0.62 0.00 0.00 0.00 0.00 178.15 178.92 2kmf h ALA 20 N 0.95 1.32 -0.22 1.87 0.00 -0.04 0.33 119.26 123.47 2kmf h ALA 20 Ca 0.06 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2kmf h ALA 20 Cb 0.12 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2kmf h ALA 20 CO -0.01 0.63 -0.13 1.15 0.00 0.00 0.00 179.25 180.89 2kmf h THR 21 N 1.28 1.31 -0.37 0.00 2.02 -0.98 -2.63 112.91 113.54 2kmf h THR 21 Ca 0.34 -1.22 -0.07 0.00 0.77 0.00 0.00 66.41 66.23 2kmf h THR 21 Cb -0.14 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 2kmf h THR 21 CO -0.07 0.37 -0.03 -0.07 0.37 0.00 0.00 175.52 176.09 2kmf h LEU 22 N 0.18 0.66 -0.08 2.58 3.38 -0.25 0.05 115.31 121.83 2kmf h LEU 22 Ca 0.05 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.71 2kmf h LEU 22 Cb 0.64 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2kmf h LEU 22 CO 0.04 0.84 -0.06 0.03 0.09 0.00 0.00 178.44 179.38 2kmf h ARG 23 N 0.48 -0.06 -0.20 1.13 3.08 -0.39 -1.00 114.38 117.41 2kmf h ARG 23 Ca 0.10 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.03 2kmf h ARG 23 Cb 0.52 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 2kmf h ARG 23 CO 0.03 -0.04 -0.41 1.05 -1.07 0.00 0.00 179.97 179.52 2kmf h GLU 24 N -0.06 0.48 -0.03 0.04 4.11 -1.47 -2.11 114.58 115.54 2kmf h GLU 24 Ca 0.05 -0.24 0.00 0.00 0.07 0.00 0.00 59.36 59.24 2kmf h GLU 24 Cb 0.14 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 2kmf h GLU 24 CO -0.12 0.81 0.01 0.00 0.07 0.00 0.00 179.01 179.78 2kmf h ALA 25 N 1.16 0.03 0.00 1.06 0.00 -0.52 -0.65 119.26 120.34 2kmf h ALA 25 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2kmf h ALA 25 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2kmf h ALA 25 CO 0.08 -0.48 0.00 0.44 0.00 0.00 0.00 179.25 179.29 2kmf n ILE 26 N -5.08 0.17 -0.13 0.00 -5.35 -0.42 -2.83 119.36 105.72 2kmf n ILE 26 Ca -0.06 0.02 0.10 0.00 -0.27 0.00 0.00 62.75 62.54 2kmf n ILE 26 Cb 0.03 -0.58 0.25 0.00 -1.74 0.00 0.00 39.64 37.61 2kmf n ILE 26 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2kmf n ASP 27 N -1.54 3.55 -4.81 7.28 -0.08 -0.80 -4.93 116.55 115.23 2kmf n ASP 27 Ca 0.06 -1.98 -0.36 0.00 -1.51 0.00 0.00 54.79 51.01 2kmf n ASP 27 Cb 0.32 -0.36 -0.06 0.00 2.34 0.00 0.00 41.12 43.36 2kmf n ASP 27 CO 0.00 0.00 0.00 -1.48 0.12 0.00 0.00 177.20 175.84 2kmf s LEU 28 N -1.12 4.31 0.20 -2.67 0.05 -0.32 -4.99 118.68 114.13 2kmf s LEU 28 Ca 0.40 1.45 -0.30 0.00 0.05 0.00 0.00 54.13 55.73 2kmf s LEU 28 Cb 0.22 -3.70 -0.08 0.00 -2.05 0.00 0.00 46.19 40.57 2kmf s LEU 28 CO 0.29 -0.01 1.20 -2.16 -0.55 0.00 0.00 176.35 175.12 2kmf s PRO 29 N -2.11 4.49 0.00 1.48 0.04 -1.26 -4.87 135.00 132.77 2kmf s PRO 29 Ca 0.45 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.38 2kmf s PRO 29 Cb -0.16 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.15 2kmf s PRO 29 CO 0.21 -0.08 0.81 0.00 0.04 0.00 0.00 177.00 177.97 2kmf n GLN 30 N 2.39 0.00 0.00 4.56 0.00 -1.26 0.10 117.38 123.17 2kmf n GLN 30 Ca 0.04 0.33 0.13 0.00 0.00 0.00 0.00 57.00 57.50 2kmf n GLN 30 Cb 0.44 -1.60 0.45 0.00 0.00 0.00 0.00 30.24 29.53 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 -1.31 0.39 -4.71 2.61 2.03 -1.26 -4.85 116.55 109.46 2kmf n ASP 31 Ca 0.00 -0.16 -0.42 0.00 0.52 0.00 0.00 54.79 54.72 2kmf n ASP 31 Cb 0.10 -0.05 -0.03 0.00 -0.72 0.00 0.00 41.12 40.42 2kmf n ASP 31 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kmf s ALA 32 N -2.83 3.28 -0.83 -1.67 0.00 0.28 -4.93 121.76 115.06 2kmf s ALA 32 Ca 0.17 0.65 0.23 0.00 0.00 0.00 0.00 51.96 53.01 2kmf s ALA 32 Cb 0.19 -3.39 0.91 0.00 0.00 0.00 0.00 23.12 20.82 2kmf s ALA 32 CO 0.58 -0.36 1.71 -0.35 0.00 0.00 0.00 175.76 177.34 2kmf n PRO 33 N 4.04 0.09 -0.15 0.00 -0.04 -1.26 -2.79 135.00 134.89 2kmf n PRO 33 Ca 0.08 0.22 0.04 0.00 -0.04 0.00 0.00 63.50 63.79 2kmf n PRO 33 Cb 0.49 -1.64 0.12 0.00 -0.04 0.00 0.00 33.50 32.43 2kmf n PRO 33 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2kmf n ASN 34 N -1.81 1.57 -0.20 3.54 6.94 -1.26 -4.03 115.26 120.01 2kmf n ASN 34 Ca 0.05 -2.02 -0.09 0.00 -0.02 0.00 0.00 54.58 52.49 2kmf n ASN 34 Cb 0.28 -0.21 0.02 0.00 -2.36 0.00 0.00 39.78 37.51 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 1.62 0.96 -0.11 -3.83 2.43 -1.88 0.39 114.38 113.95 2kmf h ARG 35 Ca 0.00 -0.28 -0.21 0.00 -0.81 0.00 0.00 59.98 58.67 2kmf h ARG 35 Cb 0.42 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 29.88 2kmf h ARG 35 CO 0.01 0.94 -0.77 0.37 -1.51 0.00 0.00 179.97 179.02 2kmf h GLN 36 N 0.85 0.72 -0.14 0.20 5.75 -1.86 -2.63 115.11 117.99 2kmf h GLN 36 Ca 0.17 -0.62 -0.06 0.00 -0.15 0.00 0.00 58.65 57.99 2kmf h GLN 36 Cb 0.48 0.14 -0.00 0.00 1.07 0.00 0.00 27.48 29.17 2kmf h GLN 36 CO 0.02 1.23 -0.13 1.49 -2.65 0.00 0.00 178.83 178.79 2kmf h GLU 37 N 0.42 0.34 -0.27 1.69 4.57 -1.75 -3.11 114.58 116.46 2kmf h GLU 37 Ca -0.06 -0.17 -0.03 0.00 -1.18 0.00 0.00 59.36 57.91 2kmf h GLU 37 Cb 1.41 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.98 2kmf h GLU 37 CO 0.16 0.71 0.03 -0.24 -1.18 0.00 0.00 179.01 178.49 2kmf h VAL 38 N -0.03 1.15 -0.46 0.32 3.04 -0.32 -2.54 116.25 117.41 2kmf h VAL 38 Ca 0.03 -0.55 0.06 0.00 -1.01 0.00 0.00 66.70 65.22 2kmf h VAL 38 Cb 0.64 0.91 -0.05 0.00 -2.01 0.00 0.00 31.29 30.78 2kmf h VAL 38 CO 0.03 0.19 0.16 1.56 -1.01 0.00 0.00 177.57 178.50 2kmf h GLN 39 N 0.39 0.31 -0.74 4.17 4.20 -1.40 0.10 115.11 122.14 2kmf h GLN 39 Ca 0.09 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.74 2kmf h GLN 39 Cb 0.21 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 2kmf h GLN 39 CO 0.00 0.21 0.31 -0.44 -0.67 0.00 0.00 178.83 178.24 2kmf h ASP 40 N 0.32 1.00 -0.28 1.46 3.32 -1.46 -1.05 116.42 119.74 2kmf h ASP 40 Ca 0.22 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 2kmf h ASP 40 Cb 0.23 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 2kmf h ASP 40 CO -0.23 0.88 0.14 0.74 -1.72 0.00 0.00 179.24 179.05 2kmf h THR 41 N 1.07 1.15 -0.15 0.35 2.02 -1.00 -1.04 112.91 115.31 2kmf h THR 41 Ca 0.25 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 2kmf h THR 41 Cb 0.18 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 2kmf h THR 41 CO -0.02 0.15 0.09 0.00 0.37 0.00 0.00 175.52 176.10 2kmf h ALA 42 N 1.00 0.19 -0.82 6.16 0.00 -0.57 -1.41 119.26 123.81 2kmf h ALA 42 Ca 0.10 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.06 2kmf h ALA 42 Cb 0.11 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.76 2kmf h ALA 42 CO -0.01 -0.28 0.46 -0.09 0.00 0.00 0.00 179.25 179.33 2kmf h ARG 43 N 0.15 0.73 -0.65 0.00 2.43 -1.04 0.48 114.38 116.48 2kmf h ARG 43 Ca 0.05 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2kmf h ARG 43 Cb 0.06 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 2kmf h ARG 43 CO -0.01 0.48 0.35 0.78 -1.51 0.00 0.00 179.97 180.07 2kmf h GLY 44 N 0.75 0.98 1.02 2.80 0.00 -0.71 -1.26 103.07 106.65 2kmf h GLY 44 Ca 0.41 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 2kmf h GLY 44 CO -0.27 0.43 0.29 1.46 0.00 0.00 0.00 176.54 178.45 2kmf h GLN 45 N 0.89 1.04 0.46 4.80 1.08 -0.06 0.21 115.11 123.53 2kmf h GLN 45 Ca 0.23 -0.18 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 2kmf h GLN 45 Cb 0.05 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.31 2kmf h GLN 45 CO -0.04 0.85 -0.22 0.82 -0.95 0.00 0.00 178.83 179.30 2kmf h ILE 46 N 0.99 0.55 -0.40 2.54 2.04 -0.54 0.26 117.51 122.95 2kmf h ILE 46 Ca 0.23 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.92 2kmf h ILE 46 Cb 0.20 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 2kmf h ILE 46 CO -0.02 0.02 0.11 0.78 0.00 0.00 0.00 178.15 179.04 2kmf h ASN 47 N -0.69 0.60 -0.55 1.72 2.35 -1.18 -2.85 115.58 114.98 2kmf h ASN 47 Ca -0.06 -0.23 -0.05 0.00 -0.55 0.00 0.00 56.30 55.41 2kmf h ASN 47 Cb 0.51 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.69 2kmf h ASN 47 CO 0.10 0.67 0.16 0.44 -1.65 0.00 0.00 177.43 177.16 2kmf h ASP 48 N 0.51 0.85 0.98 5.81 3.32 -0.54 0.22 116.42 127.57 2kmf h ASP 48 Ca 0.13 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 2kmf h ASP 48 Cb 0.30 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 39.63 2kmf h ASP 48 CO -0.00 0.82 -0.48 0.22 -1.72 0.00 0.00 179.24 178.08 2kmf h TYR 49 N 0.88 -1.24 -0.29 4.55 3.20 -0.29 -2.04 116.97 121.74 2kmf h TYR 49 Ca 0.19 -0.03 -0.17 0.00 3.14 0.00 0.00 58.73 61.87 2kmf h TYR 49 Cb 0.29 0.41 -0.00 0.00 1.54 0.00 0.00 36.73 38.97 2kmf h TYR 49 CO 0.02 -0.77 -0.48 -0.84 -1.64 0.00 0.00 178.16 174.45 2kmf h ILE 50 N -1.33 1.29 -0.18 1.81 3.07 -1.52 -2.31 117.51 118.34 2kmf h ILE 50 Ca -0.13 -1.68 0.05 0.00 1.55 0.00 0.00 64.86 64.64 2kmf h ILE 50 Cb 1.02 1.58 -0.05 0.00 -0.27 0.00 0.00 36.82 39.10 2kmf h ILE 50 CO 0.22 0.54 -0.11 -1.28 -1.05 0.00 0.00 178.15 176.47 2kmf h SER 51 N 0.62 -0.37 -0.26 2.16 0.87 -0.56 1.99 113.55 118.00 2kmf h SER 51 Ca 0.03 0.08 -0.19 0.00 -1.23 0.00 0.00 61.79 60.48 2kmf h SER 51 Cb 1.06 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 2kmf h SER 51 CO 0.11 -0.15 -0.58 0.08 -0.53 0.00 0.00 176.83 175.76 2kmf h ARG 52 N -0.11 0.85 -0.71 2.24 0.11 -1.43 -3.02 114.38 112.32 2kmf h ARG 52 Ca 0.11 -0.57 0.00 0.00 0.10 0.00 0.00 59.98 59.62 2kmf h ARG 52 Cb 0.26 0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.42 2kmf h ARG 52 CO -0.25 1.20 0.00 0.66 0.10 0.00 0.00 179.97 181.68 2kmf n TYR 53 N -4.01 1.27 -0.12 4.08 4.01 -0.87 -4.31 117.16 117.22 2kmf n TYR 53 Ca -0.05 -0.45 -0.10 0.00 -0.16 0.00 0.00 57.90 57.14 2kmf n TYR 53 Cb 0.64 -0.33 -0.02 0.00 -0.31 0.00 0.00 39.34 39.32 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 2.58 0.57 -0.04 -0.72 9.65 0.33 -2.49 114.38 124.26 2kmf h ARG 54 Ca 0.00 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 58.75 2kmf h ARG 54 Cb 1.38 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.88 2kmf h ARG 54 CO 0.29 0.61 0.00 2.89 2.80 0.00 0.00 179.97 186.55 2kmf n ARG 55 N -4.62 1.37 -0.13 0.20 1.85 -1.26 -2.84 116.66 111.23 2kmf n ARG 55 Ca -0.01 -0.54 -0.06 0.00 -1.00 0.00 0.00 57.85 56.24 2kmf n ARG 55 Cb 0.19 -1.43 0.02 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 1.22 0.44 0.00 2.89 3.64 -1.70 -3.42 116.57 119.63 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 0.26 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2kmf h LYS 56 CO 0.00 0.29 0.00 0.41 -2.27 0.00 0.00 179.45 177.88 2kmf n GLY 57 N -1.22 0.48 2.11 5.01 0.00 -1.26 -4.98 105.19 105.33 2kmf n GLY 57 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.16 -0.29 1.61 2.03 -1.13 -4.48 116.55 111.13 2kmf n ASP 58 Ca 0.00 0.25 0.04 0.00 0.52 0.00 0.00 54.79 55.60 2kmf n ASP 58 Cb 0.10 -2.87 -0.01 0.00 -0.72 0.00 0.00 41.12 37.61 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 -0.92 -0.75 -0.08 -1.67 0.00 -1.26 -4.97 120.51 110.86 2kmf n ALA 59 Ca -0.12 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2kmf n ALA 59 Cb 0.47 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.62 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 -2.78 0.58 0.02 0.00 0.00 -1.26 -4.84 105.19 96.91 2kmf n GLY 60 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.01 0.00 3.45 -0.02 0.00 -1.26 -5.06 105.19 100.29 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 -3.34 3.29 0.15 0.99 1.02 -1.26 -4.99 118.68 114.54 2kmf s LEU 62 Ca 0.00 -0.19 -0.13 0.00 0.02 0.00 0.00 54.13 53.83 2kmf s LEU 62 Cb 0.00 -1.84 0.03 0.00 0.02 0.00 0.00 46.19 44.40 2kmf s LEU 62 CO 0.00 0.06 1.64 0.11 0.02 0.00 0.00 176.35 178.18 2kmf h LYS 63 N 7.51 0.83 -0.24 1.70 1.57 -1.97 -0.79 116.57 125.19 2kmf h LYS 63 Ca -0.36 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.19 2kmf h LYS 63 Cb 1.18 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 2kmf h LYS 63 CO 0.61 0.82 0.13 1.03 -0.57 0.00 0.00 179.45 181.47 2kmf h SER 64 N 0.71 0.30 -0.14 0.86 0.87 -1.88 0.39 113.55 114.67 2kmf h SER 64 Ca 0.15 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 2kmf h SER 64 Cb 0.39 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 2kmf h SER 64 CO 0.01 0.31 0.05 0.15 -0.53 0.00 0.00 176.83 176.82 2kmf h PHE 65 N 0.27 0.21 -0.26 2.24 3.57 -1.93 0.34 116.94 121.38 2kmf h PHE 65 Ca 0.08 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 2kmf h PHE 65 Cb 0.08 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 2kmf h PHE 65 CO -0.03 0.30 0.07 1.15 -2.23 0.00 0.00 178.31 177.57 2kmf h THR 66 N 0.06 1.20 -0.19 4.41 2.02 -1.05 0.19 112.91 119.56 2kmf h THR 66 Ca 0.04 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.56 2kmf h THR 66 Cb 0.18 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 2kmf h THR 66 CO -0.00 0.21 0.07 0.74 0.37 0.00 0.00 175.52 176.91 2kmf h THR 67 N 0.25 1.16 -0.64 3.16 2.02 -0.16 -2.99 112.91 115.71 2kmf h THR 67 Ca 0.08 -0.49 -0.08 0.00 0.77 0.00 0.00 66.41 66.69 2kmf h THR 67 Cb 0.26 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 2kmf h THR 67 CO -0.00 0.16 0.07 0.24 0.37 0.00 0.00 175.52 176.36 2kmf h MET 68 N 0.15 1.09 -0.46 6.66 2.07 -0.27 -0.99 114.93 123.18 2kmf h MET 68 Ca 0.06 -0.31 0.07 0.00 -2.07 0.00 0.00 59.70 57.46 2kmf h MET 68 Cb 0.18 -0.12 -0.09 0.00 -1.87 0.00 0.00 31.60 29.69 2kmf h MET 68 CO -0.01 1.02 -0.45 0.37 1.07 0.00 0.00 176.91 178.92 2kmf h GLN 69 N 1.00 -0.29 -0.16 1.72 4.15 -0.46 0.56 115.11 121.62 2kmf h GLN 69 Ca 0.19 0.02 -0.13 0.00 0.77 0.00 0.00 58.65 59.50 2kmf h GLN 69 Cb 0.48 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.24 2kmf h GLN 69 CO 0.02 -0.19 -0.40 1.15 -1.93 0.00 0.00 178.83 177.47 2kmf h THR 70 N -0.30 1.34 0.04 2.39 2.02 -1.50 -2.38 112.91 114.52 2kmf h THR 70 Ca 0.14 -1.67 0.01 0.00 0.77 0.00 0.00 66.41 65.67 2kmf h THR 70 Cb 0.58 1.98 -0.02 0.00 -1.74 0.00 0.00 68.15 68.95 2kmf h THR 70 CO -0.61 0.51 -0.12 0.00 0.37 0.00 0.00 175.52 175.66 2kmf h ALA 71 N 0.56 -0.17 -0.64 6.16 0.00 -0.53 0.34 119.26 124.97 2kmf h ALA 71 Ca -0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2kmf h ALA 71 Cb 1.02 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 2kmf h ALA 71 CO 0.09 -0.63 0.20 -0.07 0.00 0.00 0.00 179.25 178.84 2kmf h LEU 72 N -0.23 0.94 -1.07 0.00 4.07 0.00 -2.57 115.31 116.46 2kmf h LEU 72 Ca 0.03 -0.21 -0.06 0.00 0.08 0.00 0.00 57.88 57.72 2kmf h LEU 72 Cb 0.26 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.73 2kmf h LEU 72 CO -0.09 0.90 0.03 0.78 -1.08 0.00 0.00 178.44 178.98 2kmf h ASN 73 N 0.93 0.66 0.63 -0.43 2.35 -1.10 -0.28 115.58 118.33 2kmf h ASN 73 Ca 0.21 -0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 2kmf h ASN 73 Cb 0.30 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.50 2kmf h ASN 73 CO -0.01 0.71 -0.31 0.28 -1.65 0.00 0.00 177.43 176.45 2kmf h SER 74 N 0.66 -0.75 1.03 5.81 0.02 0.08 -2.78 113.55 117.62 2kmf h SER 74 Ca 0.14 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 2kmf h SER 74 Cb 0.36 0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 2kmf h SER 74 CO 0.01 -0.53 -0.23 0.17 -1.14 0.00 0.00 176.83 175.12 2kmf h LEU 75 N -0.86 0.00 -1.31 5.07 8.10 -1.49 -2.96 115.31 121.86 2kmf h LEU 75 Ca -0.08 0.00 0.03 0.00 0.11 0.00 0.00 57.88 57.94 2kmf h LEU 75 Cb 0.67 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.85 2kmf h LEU 75 CO 0.13 0.23 0.48 0.00 -4.11 0.00 0.00 178.44 175.17 2kmf h ALA 76 N 1.77 1.57 -0.29 0.17 0.00 -0.79 -1.71 119.26 119.98 2kmf h ALA 76 Ca -0.00 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 2kmf h ALA 76 Cb 0.81 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2kmf h ALA 76 CO 0.03 0.36 -0.42 0.78 0.00 0.00 0.00 179.25 180.00 2kmf h GLY 77 N 0.90 0.78 0.33 0.00 0.00 -1.32 -3.17 103.07 100.60 2kmf h GLY 77 Ca 0.29 -0.81 0.12 0.00 0.00 0.00 0.00 47.33 46.94 2kmf h GLY 77 CO -0.08 0.73 0.41 -0.97 0.00 0.00 0.00 176.54 176.63 2kmf h TYR 78 N 0.58 0.73 -0.32 5.60 -1.99 -1.36 2.31 116.97 122.52 2kmf h TYR 78 Ca 0.04 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.80 2kmf h TYR 78 Cb 0.97 -0.21 -0.02 0.00 2.00 0.00 0.00 36.73 39.48 2kmf h TYR 78 CO 0.05 0.22 0.19 1.88 -0.00 0.00 0.00 178.16 180.49 2kmf h TYR 79 N 0.64 0.43 0.00 4.88 0.05 -1.50 -2.67 116.97 118.79 2kmf h TYR 79 Ca 0.42 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.20 2kmf h TYR 79 Cb 0.53 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.13 2kmf h TYR 79 CO -0.10 0.33 -0.43 -2.37 -1.05 0.00 0.00 178.16 174.54 2kmf n THR 80 N -4.82 0.04 0.20 -2.88 5.66 -0.70 -1.36 114.28 110.43 2kmf n THR 80 Ca -0.01 -0.03 -0.15 0.00 -3.05 0.00 0.00 64.05 60.81 2kmf n THR 80 Cb 0.06 0.08 -0.08 0.00 -1.55 0.00 0.00 70.33 68.84 2kmf n THR 80 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2kmf h SER 81 N 0.00 -0.40 0.00 1.09 0.02 0.42 -3.37 113.55 111.31 2kmf h SER 81 Ca 0.00 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.87 2kmf h SER 81 Cb 0.53 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 2kmf h SER 81 CO 0.00 -0.22 -1.34 -1.22 -1.14 0.00 0.00 176.83 172.91 2kmf n TYR 82 N -5.26 0.00 0.00 3.45 4.01 -1.21 -5.07 117.16 113.07 2kmf n TYR 82 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 2kmf n TYR 82 Cb 0.23 -0.21 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 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 2.36 1.38 2.73 2.72 0.00 -0.47 -4.77 105.19 109.14 2kmf n GLY 83 Ca -0.05 -0.90 -0.38 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 -0.51 5.96 -3.43 4.61 0.00 -1.26 -4.54 120.51 121.34 2kmf n ALA 84 Ca 0.00 -4.51 -0.38 0.00 0.00 0.00 0.00 53.44 48.56 2kmf n ALA 84 Cb 0.00 -1.90 -0.12 0.00 0.00 0.00 0.00 19.45 17.43 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 -4.15 2.46 0.14 0.00 0.52 -1.26 -5.08 118.95 111.58 2kmf s ARG 85 Ca 0.43 -1.40 -0.34 0.00 -0.52 0.00 0.00 55.73 53.90 2kmf s ARG 85 Cb 0.26 -3.52 -0.16 0.00 0.52 0.00 0.00 34.95 32.05 2kmf s ARG 85 CO -0.19 -0.81 1.22 -2.30 0.02 0.00 0.00 175.30 173.23 2kmf n PRO 86 N 4.76 1.12 -1.89 3.54 -0.02 -1.26 -4.87 135.00 136.38 2kmf n PRO 86 Ca -0.10 0.40 -0.41 0.00 -2.02 0.00 0.00 63.50 61.37 2kmf n PRO 86 Cb 0.43 -1.95 -0.02 0.00 -0.02 0.00 0.00 33.50 31.94 2kmf n PRO 86 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2kmf s ILE 87 N 0.06 2.33 0.59 4.25 1.01 -1.26 -4.96 121.20 123.23 2kmf s ILE 87 Ca 0.78 0.28 -0.19 0.00 0.00 0.00 0.00 60.65 61.52 2kmf s ILE 87 Cb -0.90 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 2kmf s ILE 87 CO 0.50 0.05 1.21 -2.16 0.00 0.00 0.00 174.94 174.54 2kmf s PRO 88 N -0.56 2.97 0.41 2.79 0.04 -1.26 -4.85 135.00 134.54 2kmf s PRO 88 Ca 0.61 1.83 0.10 0.00 0.04 0.00 0.00 61.00 63.58 2kmf s PRO 88 Cb -0.45 -1.93 0.91 0.00 0.04 0.00 0.00 34.50 33.07 2kmf s PRO 88 CO 0.47 -1.21 1.99 0.93 0.04 0.00 0.00 177.00 179.22 2kmf h GLU 89 N 0.89 0.52 -0.17 4.56 4.39 -1.96 -2.13 114.58 120.68 2kmf h GLU 89 Ca -0.50 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.22 2kmf h GLU 89 Cb 1.30 -0.12 -0.06 0.00 -0.10 0.00 0.00 28.75 29.77 2kmf h GLU 89 CO 0.55 0.34 -0.28 0.87 -1.16 0.00 0.00 179.01 179.34 2kmf h LYS 90 N 0.54 -0.31 -0.51 2.33 1.57 -2.01 -1.69 116.57 116.48 2kmf h LYS 90 Ca 0.27 0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.99 2kmf h LYS 90 Cb 0.35 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 2kmf h LYS 90 CO -0.08 -0.21 0.00 1.25 -0.57 0.00 0.00 179.45 179.85 2kmf h LEU 91 N -0.32 0.88 -0.99 2.94 5.85 -1.81 -2.91 115.31 118.95 2kmf h LEU 91 Ca 0.11 -0.31 0.26 0.00 0.84 0.00 0.00 57.88 58.79 2kmf h LEU 91 Cb 0.50 -0.24 -0.13 0.00 0.37 0.00 0.00 40.66 41.16 2kmf h LEU 91 CO -0.36 0.97 0.56 0.50 -0.34 0.00 0.00 178.44 179.78 2kmf h LYS 92 N 0.77 0.48 -0.47 1.25 3.64 -0.74 0.25 116.57 121.75 2kmf h LYS 92 Ca 0.14 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2kmf h LYS 92 Cb 0.52 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 2kmf h LYS 92 CO 0.03 0.32 0.29 0.87 -2.27 0.00 0.00 179.45 178.68 2kmf h LYS 93 N 0.50 0.63 -0.28 1.90 1.57 -1.12 0.22 116.57 119.99 2kmf h LYS 93 Ca 0.66 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 59.34 2kmf h LYS 93 Cb 1.31 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 2kmf h LYS 93 CO -0.51 0.46 0.04 0.00 -0.57 0.00 0.00 179.45 178.86 2kmf h ARG 94 N 0.63 0.47 -0.69 3.15 3.08 -0.65 -2.92 114.38 117.44 2kmf h ARG 94 Ca 0.17 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 60.03 2kmf h ARG 94 Cb -0.01 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 2kmf h ARG 94 CO -0.03 0.59 0.20 -0.07 -1.07 0.00 0.00 179.97 179.58 2kmf h LEU 95 N 0.28 1.03 -0.63 3.04 3.38 -0.84 -2.10 115.31 119.47 2kmf h LEU 95 Ca 0.08 -0.22 0.10 0.00 0.09 0.00 0.00 57.88 57.94 2kmf h LEU 95 Cb 0.35 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 40.76 2kmf h LEU 95 CO 0.01 0.98 0.23 1.56 0.09 0.00 0.00 178.44 181.31 2kmf h GLN 96 N 1.03 0.39 -0.38 1.13 1.08 -0.47 -1.30 115.11 116.59 2kmf h GLN 96 Ca 0.22 -0.02 -0.07 0.00 -1.45 0.00 0.00 58.65 57.33 2kmf h GLN 96 Cb 0.33 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.66 2kmf h GLN 96 CO -0.00 0.26 -0.03 -0.07 -0.95 0.00 0.00 178.83 178.04 2kmf h LEU 97 N 0.41 0.68 -0.80 1.46 3.38 -1.31 -2.40 115.31 116.74 2kmf h LEU 97 Ca 0.32 -0.32 0.15 0.00 0.09 0.00 0.00 57.88 58.12 2kmf h LEU 97 Cb 0.42 -0.18 -0.10 0.00 0.09 0.00 0.00 40.66 40.89 2kmf h LEU 97 CO -0.33 0.84 0.36 -0.33 0.09 0.00 0.00 178.44 179.08 2kmf h GLU 98 N 0.51 0.50 -0.27 1.13 4.39 -0.58 0.48 114.58 120.73 2kmf h GLU 98 Ca 0.11 -0.03 -0.13 0.00 0.34 0.00 0.00 59.36 59.64 2kmf h GLU 98 Cb 0.51 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 2kmf h GLU 98 CO 0.02 0.33 -0.38 0.74 -1.16 0.00 0.00 179.01 178.56 2kmf h PHE 99 N 0.51 0.75 -0.64 4.33 0.04 -1.17 -2.46 116.94 118.30 2kmf h PHE 99 Ca 0.44 -0.21 0.02 0.00 2.80 0.00 0.00 57.97 61.02 2kmf h PHE 99 Cb 0.65 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.60 2kmf h PHE 99 CO -0.13 0.92 0.41 1.15 -0.60 0.00 0.00 178.31 180.05 2kmf h THR 100 N 0.52 1.11 -0.15 -1.55 2.02 -0.42 0.50 112.91 114.94 2kmf h THR 100 Ca 0.05 -0.28 -0.11 0.00 0.77 0.00 0.00 66.41 66.85 2kmf h THR 100 Cb 0.89 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 2kmf h THR 100 CO 0.08 0.15 -0.37 1.56 0.37 0.00 0.00 175.52 177.31 2kmf h GLN 101 N 0.81 0.32 0.16 6.66 7.50 -1.19 -1.75 115.11 127.63 2kmf h GLN 101 Ca 0.25 -0.14 -0.01 0.00 0.50 0.00 0.00 58.65 59.25 2kmf h GLN 101 Cb -0.02 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.50 2kmf h GLN 101 CO -0.09 0.65 -0.08 0.00 -1.50 0.00 0.00 178.83 177.82 2kmf h ALA 102 N 1.34 -0.22 -0.78 3.87 0.00 -0.84 -1.20 119.26 121.43 2kmf h ALA 102 Ca 0.03 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2kmf h ALA 102 Cb 0.78 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 2kmf h ALA 102 CO 0.06 -0.38 0.38 1.05 0.00 0.00 0.00 179.25 180.35 2kmf h GLU 103 N -0.70 1.11 -0.51 0.00 4.11 -0.97 -2.15 114.58 115.47 2kmf h GLU 103 Ca -0.02 -0.15 -0.08 0.00 0.07 0.00 0.00 59.36 59.17 2kmf h GLU 103 Cb 0.50 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2kmf h GLU 103 CO 0.04 0.85 -0.02 0.00 0.07 0.00 0.00 179.01 179.94 2kmf h ARG 104 N 1.10 0.87 0.00 1.06 3.08 -1.35 -2.44 114.38 116.71 2kmf h ARG 104 Ca 0.27 -0.26 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 2kmf h ARG 104 Cb 0.10 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 2kmf h ARG 104 CO -0.04 0.89 -0.22 0.77 -1.07 0.00 0.00 179.97 180.30 2kmf h SER 105 N 0.80 0.00 -0.58 7.04 0.02 -0.63 -2.72 113.55 117.48 2kmf h SER 105 Ca 0.15 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 2kmf h SER 105 Cb 0.52 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.03 2kmf h SER 105 CO 0.03 0.22 0.21 0.40 -1.14 0.00 0.00 176.83 176.55 2kmf h ILE 106 N 0.00 1.23 -0.50 3.27 1.08 -0.90 0.50 117.51 122.19 2kmf h ILE 106 Ca -0.00 -0.75 0.10 0.00 -0.39 0.00 0.00 64.86 63.81 2kmf h ILE 106 Cb 0.44 0.63 -0.08 0.00 -3.07 0.00 0.00 36.82 34.74 2kmf h ILE 106 CO 0.03 0.29 0.00 -0.33 -0.69 0.00 0.00 178.15 177.45 2kmf h GLU 107 N 0.81 0.12 0.00 2.37 5.08 -1.46 0.17 114.58 121.66 2kmf h GLU 107 Ca 0.19 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2kmf h GLU 107 Cb 0.24 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2kmf h GLU 107 CO -0.01 0.08 0.00 0.07 -1.00 0.00 0.00 179.01 178.15 2kmf h ARG 108 N 0.12 0.00 -5.32 2.33 0.11 -1.59 -3.48 114.38 106.56 2kmf h ARG 108 Ca 0.25 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 60.14 2kmf h ARG 108 Cb 0.38 0.00 0.15 0.00 1.11 0.00 0.00 29.97 31.61 2kmf h ARG 108 CO -0.42 0.00 -0.65 0.41 0.10 0.00 0.00 179.97 179.41 2kmf n GLY 109 N 0.95 -1.10 0.00 0.08 0.00 0.59 -5.13 105.19 100.59 2kmf n GLY 109 Ca 0.04 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.58 2kmf n GLY 109 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65