#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 3.83 0.41 1.61 0.04 -1.26 -5.01 135.00 134.62 2kmf s PRO -3 Ca 0.00 1.91 -0.22 0.00 0.04 0.00 0.00 61.00 62.73 2kmf s PRO -3 Cb 0.00 -2.54 -0.10 0.00 0.04 0.00 0.00 34.50 31.89 2kmf s PRO -3 CO 0.00 -0.53 0.98 -0.51 0.04 0.00 0.00 177.00 176.98 2kmf s LEU -2 N -2.79 4.04 0.00 -3.56 1.02 -1.26 -5.04 118.68 111.09 2kmf s LEU -2 Ca 0.61 1.81 0.00 0.00 0.02 0.00 0.00 54.13 56.57 2kmf s LEU -2 Cb -0.32 -4.38 0.00 0.00 0.02 0.00 0.00 46.19 41.51 2kmf s LEU -2 CO 0.40 -0.38 0.00 0.61 0.02 0.00 0.00 176.35 177.00 2kmf n GLY -1 N -0.18 2.11 0.25 -3.19 0.00 -1.26 -5.04 105.19 97.88 2kmf n GLY -1 Ca 0.06 -1.01 -0.06 0.00 0.00 0.00 0.00 46.02 45.01 2kmf n GLY -1 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2kmf h SER 0 N 0.00 0.73 -6.82 1.61 0.87 -2.07 -3.47 113.55 104.41 2kmf h SER 0 Ca 0.00 -0.05 -0.54 0.00 -1.23 0.00 0.00 61.79 59.97 2kmf h SER 0 Cb 0.00 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 2kmf h SER 0 CO 0.00 0.57 -1.04 0.00 -0.53 0.00 0.00 176.83 175.82 2kmf n ASP 2 N -2.39 1.43 -4.55 0.00 5.75 -1.26 -4.79 116.55 110.74 2kmf n ASP 2 Ca -0.21 -1.48 -0.37 0.00 -0.01 0.00 0.00 54.79 52.72 2kmf n ASP 2 Cb 0.63 -0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.68 2kmf n ASP 2 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2kmf s SER 3 N -1.98 5.46 0.00 -1.12 0.15 -1.26 -4.79 113.70 110.16 2kmf s SER 3 Ca 0.38 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.92 2kmf s SER 3 Cb 0.21 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 2kmf s SER 3 CO 0.33 -2.32 0.00 0.61 1.20 0.00 0.00 173.24 173.07 2kmf n GLY 4 N 5.96 3.34 0.21 9.45 0.00 -1.26 -5.01 105.19 117.89 2kmf n GLY 4 Ca 0.22 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.24 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 1.24 0.00 2.61 1.35 -1.91 -3.45 112.91 112.75 2kmf h THR 5 Ca 0.00 -1.12 0.00 0.00 -0.55 0.00 0.00 66.41 64.74 2kmf h THR 5 Cb 0.00 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 2kmf h THR 5 CO 0.00 0.33 0.00 0.61 -0.25 0.00 0.00 175.52 176.21 2kmf n GLY 6 N -0.57 0.04 3.76 5.82 0.00 -1.26 -4.95 105.19 108.03 2kmf n GLY 6 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 4.04 0.00 0.99 1.43 -1.26 -4.94 118.68 118.94 2kmf s LEU 7 Ca 0.00 2.52 0.16 0.00 -1.03 0.00 0.00 54.13 55.78 2kmf s LEU 7 Cb 0.00 -4.14 -0.07 0.00 0.03 0.00 0.00 46.19 42.01 2kmf s LEU 7 CO 0.00 -1.05 0.78 0.35 0.23 0.00 0.00 176.35 176.66 2kmf n THR 8 N -0.42 0.00 -0.07 5.49 -2.24 -1.26 -4.97 114.28 110.82 2kmf n THR 8 Ca 0.07 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2kmf n THR 8 Cb 0.46 1.11 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 1.24 0.47 3.46 3.38 0.00 -1.26 -5.04 105.19 107.44 2kmf n GLY 9 Ca 0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.78 6.24 0.63 1.61 6.03 -1.26 -4.90 114.94 120.50 2kmf s ASN 10 Ca 0.00 -0.80 0.21 0.00 -1.03 0.00 0.00 52.86 51.23 2kmf s ASN 10 Cb 0.00 -2.30 0.96 0.00 -3.03 0.00 0.00 41.25 36.88 2kmf s ASN 10 CO 0.00 -0.87 1.49 0.22 -2.03 0.00 0.00 177.10 175.91 2kmf h TYR 11 N 8.98 0.00 0.27 1.54 5.03 -1.97 0.52 116.97 131.34 2kmf h TYR 11 Ca -0.27 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.03 2kmf h TYR 11 Cb 1.09 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.38 2kmf h TYR 11 CO 0.75 0.00 -0.13 0.77 -1.32 0.00 0.00 178.16 178.23 2kmf h SER 12 N 0.00 -0.31 0.80 -2.11 0.02 -1.97 -3.26 113.55 106.73 2kmf h SER 12 Ca 0.19 0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.96 2kmf h SER 12 Cb 1.78 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 64.38 2kmf h SER 12 CO -0.00 0.06 -0.87 -0.61 -1.14 0.00 0.00 176.83 174.27 2kmf h GLN 13 N -0.92 0.04 -0.74 3.45 4.15 -1.70 -3.29 115.11 116.10 2kmf h GLN 13 Ca -0.04 -0.05 0.08 0.00 0.77 0.00 0.00 58.65 59.41 2kmf h GLN 13 Cb 0.28 0.02 -0.06 0.00 0.21 0.00 0.00 27.48 27.92 2kmf h GLN 13 CO 0.06 0.88 0.41 -0.44 -1.93 0.00 0.00 178.83 177.82 2kmf h ASP 14 N 0.02 0.60 -0.48 -0.69 3.32 -0.16 0.30 116.42 119.33 2kmf h ASP 14 Ca -0.02 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.08 2kmf h ASP 14 Cb 1.53 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.98 2kmf h ASP 14 CO 0.12 0.36 0.31 0.74 -1.72 0.00 0.00 179.24 179.06 2kmf h THR 15 N 0.73 1.12 -0.72 0.35 2.02 -1.62 -1.40 112.91 113.37 2kmf h THR 15 Ca 0.34 -0.22 -0.06 0.00 0.77 0.00 0.00 66.41 67.25 2kmf h THR 15 Cb 0.27 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 2kmf h THR 15 CO -0.22 0.12 0.23 0.25 0.37 0.00 0.00 175.52 176.27 2kmf h LEU 16 N 0.64 1.05 0.11 2.58 5.85 -1.36 -0.78 115.31 123.40 2kmf h LEU 16 Ca 0.18 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 2kmf h LEU 16 Cb -0.07 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.69 2kmf h LEU 16 CO -0.04 0.98 -0.05 0.74 -0.34 0.00 0.00 178.44 179.72 2kmf h THR 17 N 1.07 0.89 -0.62 1.05 2.02 0.18 0.52 112.91 118.03 2kmf h THR 17 Ca 0.23 -0.01 -0.09 0.00 0.77 0.00 0.00 66.41 67.32 2kmf h THR 17 Cb 0.30 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 2kmf h THR 17 CO -0.01 0.00 0.05 1.62 0.37 0.00 0.00 175.52 177.55 2kmf h VAL 18 N -0.15 1.26 -0.18 3.16 3.04 -1.23 -2.15 116.25 120.00 2kmf h VAL 18 Ca -0.02 -1.09 -0.01 0.00 -1.01 0.00 0.00 66.70 64.57 2kmf h VAL 18 Cb 0.12 0.75 -0.01 0.00 -2.01 0.00 0.00 31.29 30.14 2kmf h VAL 18 CO 0.03 0.40 0.08 0.40 -1.01 0.00 0.00 177.57 177.46 2kmf h ILE 19 N 0.97 1.15 -0.53 3.17 2.04 -0.88 0.54 117.51 123.96 2kmf h ILE 19 Ca 0.18 -0.46 0.05 0.00 1.00 0.00 0.00 64.86 65.64 2kmf h ILE 19 Cb 0.50 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.65 2kmf h ILE 19 CO 0.02 0.15 0.27 0.00 0.00 0.00 0.00 178.15 178.58 2kmf h ALA 20 N 0.93 0.69 -0.39 1.87 0.00 0.16 0.29 119.26 122.81 2kmf h ALA 20 Ca 0.06 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2kmf h ALA 20 Cb 0.16 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2kmf h ALA 20 CO -0.01 -0.08 0.10 1.15 0.00 0.00 0.00 179.25 180.41 2kmf h THR 21 N 0.51 1.22 -0.42 0.00 2.02 -1.20 -2.48 112.91 112.57 2kmf h THR 21 Ca 0.24 -0.75 -0.05 0.00 0.77 0.00 0.00 66.41 66.62 2kmf h THR 21 Cb 0.16 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 2kmf h THR 21 CO -0.17 0.26 0.07 -0.07 0.37 0.00 0.00 175.52 175.98 2kmf h LEU 22 N 0.48 0.67 -0.12 2.58 3.38 -0.31 0.14 115.31 122.12 2kmf h LEU 22 Ca 0.12 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.84 2kmf h LEU 22 Cb 0.29 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2kmf h LEU 22 CO -0.00 0.76 0.06 0.03 0.09 0.00 0.00 178.44 179.37 2kmf h ARG 23 N 0.55 0.12 -0.13 1.13 3.08 -0.38 -1.64 114.38 117.11 2kmf h ARG 23 Ca 0.13 -0.01 -0.14 0.00 0.07 0.00 0.00 59.98 60.03 2kmf h ARG 23 Cb 0.37 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 2kmf h ARG 23 CO 0.01 0.08 -0.52 1.05 -1.07 0.00 0.00 179.97 179.52 2kmf h GLU 24 N 0.12 0.36 -0.17 0.04 4.11 -1.42 -1.80 114.58 115.82 2kmf h GLU 24 Ca 0.05 -0.21 0.02 0.00 0.07 0.00 0.00 59.36 59.28 2kmf h GLU 24 Cb 0.01 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2kmf h GLU 24 CO -0.04 0.79 0.05 0.00 0.07 0.00 0.00 179.01 179.88 2kmf h ALA 25 N 1.17 0.18 0.00 1.06 0.00 -0.35 -1.51 119.26 119.81 2kmf h ALA 25 Ca 0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2kmf h ALA 25 Cb 1.01 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2kmf h ALA 25 CO 0.09 -0.39 0.00 -0.84 0.00 0.00 0.00 179.25 178.11 2kmf h ILE 26 N 0.13 0.00 -0.31 0.00 3.07 -1.29 -3.21 117.51 115.90 2kmf h ILE 26 Ca 0.07 -0.78 -0.17 0.00 1.55 0.00 0.00 64.86 65.53 2kmf h ILE 26 Cb 0.05 1.77 -0.00 0.00 -0.27 0.00 0.00 36.82 38.37 2kmf h ILE 26 CO -0.08 0.00 -0.47 -0.78 -1.05 0.00 0.00 178.15 175.77 2kmf h ASP 27 N 0.00 0.91 -2.41 2.16 1.82 -0.52 -3.46 116.42 114.92 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 0.83 -0.26 0.20 0.00 0.68 0.00 0.00 39.33 40.78 2kmf h ASP 27 CO 0.00 1.23 -1.10 0.00 -1.61 0.00 0.00 179.24 177.76 2kmf n LEU 28 N -4.02 -2.85 -4.78 2.28 -0.00 -0.64 -4.90 117.00 102.08 2kmf n LEU 28 Ca -0.03 0.49 -0.36 0.00 -0.00 0.00 0.00 56.01 56.11 2kmf n LEU 28 Cb 0.58 -0.95 -0.04 0.00 -0.00 0.00 0.00 43.42 43.02 2kmf n LEU 28 CO 0.49 -4.59 0.74 -2.16 -0.00 0.00 0.00 177.39 171.86 2kmf s PRO 29 N -1.90 4.03 0.63 1.47 0.04 -1.26 -4.92 135.00 133.09 2kmf s PRO 29 Ca 0.55 1.50 0.40 0.00 0.04 0.00 0.00 61.00 63.48 2kmf s PRO 29 Cb -0.36 -2.41 2.10 0.00 0.04 0.00 0.00 34.50 33.87 2kmf s PRO 29 CO 0.68 -0.26 2.26 1.96 0.04 0.00 0.00 177.00 181.69 2kmf h GLN 30 N 2.20 0.00 0.00 4.56 7.50 -1.95 0.23 115.11 127.66 2kmf h GLN 30 Ca -0.49 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.66 2kmf h GLN 30 Cb 1.22 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.75 2kmf h GLN 30 CO 0.61 0.01 0.00 -3.47 -1.50 0.00 0.00 178.83 174.48 2kmf n ASP 31 N -3.20 0.00 -4.73 1.46 2.03 -1.26 -4.85 116.55 106.00 2kmf n ASP 31 Ca -0.02 -0.44 -0.42 0.00 0.52 0.00 0.00 54.79 54.43 2kmf n ASP 31 Cb 0.13 -0.18 -0.03 0.00 -0.72 0.00 0.00 41.12 40.32 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 -2.36 3.70 -0.38 -1.67 0.00 0.07 -4.90 121.76 116.21 2kmf s ALA 32 Ca 0.35 1.34 0.27 0.00 0.00 0.00 0.00 51.96 53.92 2kmf s ALA 32 Cb 0.21 -3.59 0.98 0.00 0.00 0.00 0.00 23.12 20.72 2kmf s ALA 32 CO 0.42 -0.76 1.78 -1.00 0.00 0.00 0.00 175.76 176.20 2kmf h PRO 33 N 5.99 0.00 -0.86 0.00 0.13 -1.89 -2.93 132.00 132.44 2kmf h PRO 33 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 2kmf h PRO 33 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2kmf h PRO 33 CO 0.85 0.00 0.01 0.27 -0.23 0.00 0.00 178.00 178.90 2kmf n ASN 34 N -2.54 2.78 -0.18 1.44 6.94 -1.26 -4.28 115.26 118.16 2kmf n ASN 34 Ca 0.03 -2.36 -0.06 0.00 -0.02 0.00 0.00 54.58 52.17 2kmf n ASN 34 Cb 0.32 -0.57 0.04 0.00 -2.36 0.00 0.00 39.78 37.20 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 1.41 0.65 -0.03 -3.83 9.65 -1.88 0.43 114.38 120.77 2kmf h ARG 35 Ca 0.01 -0.04 -0.26 0.00 -1.10 0.00 0.00 59.98 58.60 2kmf h ARG 35 Cb 1.09 -0.15 0.02 0.00 -1.39 0.00 0.00 29.97 29.54 2kmf h ARG 35 CO 0.20 0.43 -0.99 0.37 2.80 0.00 0.00 179.97 182.78 2kmf h GLN 36 N 0.67 0.71 -0.27 0.20 5.75 -1.88 -3.13 115.11 117.16 2kmf h GLN 36 Ca 0.21 -0.73 -0.07 0.00 -0.15 0.00 0.00 58.65 57.91 2kmf h GLN 36 Cb -0.01 0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 2kmf h GLN 36 CO -0.08 1.31 -0.09 1.49 -2.65 0.00 0.00 178.83 178.82 2kmf h GLU 37 N 0.40 0.54 -0.36 1.69 4.57 -1.77 -2.85 114.58 116.81 2kmf h GLU 37 Ca -0.12 -0.22 -0.04 0.00 -1.18 0.00 0.00 59.36 57.81 2kmf h GLU 37 Cb 1.64 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 30.18 2kmf h GLU 37 CO 0.20 0.76 0.06 -0.24 -1.18 0.00 0.00 179.01 178.60 2kmf h VAL 38 N 0.29 1.18 -0.62 0.32 3.04 -0.27 -2.08 116.25 118.11 2kmf h VAL 38 Ca 0.07 -0.67 -0.05 0.00 -1.01 0.00 0.00 66.70 65.04 2kmf h VAL 38 Cb 0.57 0.85 -0.03 0.00 -2.01 0.00 0.00 31.29 30.68 2kmf h VAL 38 CO 0.03 0.24 0.18 1.56 -1.01 0.00 0.00 177.57 178.57 2kmf h GLN 39 N 0.52 0.98 -0.58 4.17 4.20 -1.47 -2.10 115.11 120.82 2kmf h GLN 39 Ca 0.12 -0.22 -0.07 0.00 0.06 0.00 0.00 58.65 58.54 2kmf h GLN 39 Cb 0.25 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 2kmf h GLN 39 CO 0.00 0.87 0.08 0.22 -0.67 0.00 0.00 178.83 179.34 2kmf h ASP 40 N 0.90 0.90 -0.13 1.46 1.82 -1.19 -1.34 116.42 118.85 2kmf h ASP 40 Ca 0.20 -0.20 -0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2kmf h ASP 40 Cb 0.31 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 40.08 2kmf h ASP 40 CO -0.00 0.91 0.07 0.74 -1.61 0.00 0.00 179.24 179.34 2kmf h THR 41 N 0.89 1.11 -0.61 2.25 2.02 -1.05 -2.77 112.91 114.76 2kmf h THR 41 Ca 0.18 -0.31 -0.06 0.00 0.77 0.00 0.00 66.41 66.99 2kmf h THR 41 Cb 0.40 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 2kmf h THR 41 CO 0.01 0.10 0.14 0.00 0.37 0.00 0.00 175.52 176.14 2kmf h ALA 42 N 0.95 1.11 -0.95 6.16 0.00 -1.26 -2.41 119.26 122.86 2kmf h ALA 42 Ca 0.05 -0.22 0.18 0.00 0.00 0.00 0.00 54.91 54.91 2kmf h ALA 42 Cb 0.10 -0.24 -0.10 0.00 0.00 0.00 0.00 17.79 17.55 2kmf h ALA 42 CO -0.01 0.59 0.55 0.00 0.00 0.00 0.00 179.25 180.39 2kmf h ARG 43 N 0.91 0.70 -0.41 0.00 2.47 -0.97 0.22 114.38 117.29 2kmf h ARG 43 Ca 0.19 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.86 2kmf h ARG 43 Cb 0.33 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.47 2kmf h ARG 43 CO 0.00 0.46 0.20 0.78 0.56 0.00 0.00 179.97 181.97 2kmf h GLY 44 N 0.72 0.62 1.05 0.04 0.00 -1.20 -1.04 103.07 103.26 2kmf h GLY 44 Ca 0.54 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 47.50 2kmf h GLY 44 CO -0.38 0.29 0.13 1.46 0.00 0.00 0.00 176.54 178.04 2kmf h GLN 45 N 0.52 1.06 0.76 4.80 1.08 -0.84 0.14 115.11 122.63 2kmf h GLN 45 Ca 0.14 -0.27 -0.04 0.00 -1.45 0.00 0.00 58.65 57.04 2kmf h GLN 45 Cb 0.10 -0.13 0.01 0.00 -0.05 0.00 0.00 27.48 27.41 2kmf h GLN 45 CO -0.02 0.96 -0.36 0.82 -0.95 0.00 0.00 178.83 179.28 2kmf h ILE 46 N 0.98 0.20 -0.61 2.54 2.04 -0.40 0.28 117.51 122.54 2kmf h ILE 46 Ca 0.20 -0.11 -0.05 0.00 1.00 0.00 0.00 64.86 65.89 2kmf h ILE 46 Cb 0.40 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 2kmf h ILE 46 CO 0.01 0.01 0.17 0.78 0.00 0.00 0.00 178.15 179.12 2kmf h ASN 47 N -1.11 0.91 -0.66 1.72 2.35 -1.22 -2.77 115.58 114.81 2kmf h ASN 47 Ca -0.10 -0.22 -0.07 0.00 -0.55 0.00 0.00 56.30 55.36 2kmf h ASN 47 Cb 0.80 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.90 2kmf h ASN 47 CO 0.17 0.89 0.15 -0.78 -1.65 0.00 0.00 177.43 176.21 2kmf h ASP 48 N 0.88 1.02 0.71 5.81 1.82 -0.70 0.12 116.42 126.09 2kmf h ASP 48 Ca 0.19 -0.22 -0.04 0.00 -0.39 0.00 0.00 57.03 56.58 2kmf h ASP 48 Cb 0.32 -0.27 0.01 0.00 0.68 0.00 0.00 39.33 40.07 2kmf h ASP 48 CO -0.00 0.99 -0.34 0.22 -1.61 0.00 0.00 179.24 178.49 2kmf h TYR 49 N 1.02 -0.89 -0.06 0.28 3.20 -0.22 -1.89 116.97 118.41 2kmf h TYR 49 Ca 0.21 -0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.91 2kmf h TYR 49 Cb 0.38 0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 2kmf h TYR 49 CO 0.03 -0.55 -0.61 -0.84 -1.64 0.00 0.00 178.16 174.55 2kmf h ILE 50 N -0.99 1.39 -0.04 1.81 3.07 -1.52 -2.43 117.51 118.80 2kmf h ILE 50 Ca -0.10 -2.01 0.00 0.00 1.55 0.00 0.00 64.86 64.30 2kmf h ILE 50 Cb 0.74 2.02 -0.00 0.00 -0.27 0.00 0.00 36.82 39.31 2kmf h ILE 50 CO 0.16 0.59 0.03 -1.28 -1.05 0.00 0.00 178.15 176.60 2kmf h SER 51 N 0.17 0.05 -0.19 2.16 0.87 -0.69 1.76 113.55 117.69 2kmf h SER 51 Ca -0.01 -0.02 -0.20 0.00 -1.23 0.00 0.00 61.79 60.33 2kmf h SER 51 Cb 1.12 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2kmf h SER 51 CO 0.09 0.06 -0.64 0.08 -0.53 0.00 0.00 176.83 175.89 2kmf h ARG 52 N 0.04 0.80 -0.63 2.24 0.11 -1.39 -3.00 114.38 112.55 2kmf h ARG 52 Ca 0.02 -0.56 0.00 0.00 0.10 0.00 0.00 59.98 59.53 2kmf h ARG 52 Cb 0.01 0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.18 2kmf h ARG 52 CO -0.00 1.18 0.00 0.66 0.10 0.00 0.00 179.97 181.91 2kmf n TYR 53 N -3.97 1.18 -0.19 4.08 4.01 -0.92 -4.38 117.16 116.97 2kmf n TYR 53 Ca -0.05 -0.45 -0.05 0.00 -0.16 0.00 0.00 57.90 57.18 2kmf n TYR 53 Cb 0.67 -0.24 0.04 0.00 -0.31 0.00 0.00 39.34 39.51 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 2.93 0.69 -0.00 -0.72 9.65 0.29 -0.67 114.38 126.53 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 1.22 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.64 2kmf h ARG 54 CO 0.21 0.45 -0.01 0.54 2.80 0.00 0.00 179.97 183.97 2kmf n ARG 55 N -4.74 0.48 -2.83 0.20 1.74 -1.26 -2.95 116.66 107.30 2kmf n ARG 55 Ca 0.04 -0.02 -0.43 0.00 -0.77 0.00 0.00 57.85 56.67 2kmf n ARG 55 Cb 0.06 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 29.98 2kmf n ARG 55 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2kmf s LYS 56 N -2.53 3.74 0.00 5.56 2.20 -0.26 -4.18 119.74 124.27 2kmf s LYS 56 Ca 0.30 -1.84 0.00 0.00 -0.36 0.00 0.00 55.97 54.07 2kmf s LYS 56 Cb 0.20 -5.09 0.00 0.00 -1.51 0.00 0.00 37.83 31.43 2kmf s LYS 56 CO 0.46 -1.90 0.00 0.41 -0.36 0.00 0.00 175.35 173.96 2kmf n GLY 57 N 5.46 2.92 1.44 5.54 0.00 -1.26 -4.18 105.19 115.11 2kmf n GLY 57 Ca 0.31 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.63 -1.97 1.61 -0.08 -1.15 -2.49 116.55 111.84 2kmf n ASP 58 Ca 0.00 0.14 -0.00 0.00 -1.51 0.00 0.00 54.79 53.42 2kmf n ASP 58 Cb 0.00 -0.93 -0.00 0.00 2.34 0.00 0.00 41.12 42.52 2kmf n ASP 58 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kmf n ALA 59 N -1.21 -3.20 0.00 -1.67 0.00 -1.26 -5.04 120.51 108.13 2kmf n ALA 59 Ca -0.02 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2kmf n ALA 59 Cb 0.16 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 0.32 0.00 0.00 0.00 0.00 -1.04 -4.98 105.19 99.49 2kmf n GLY 60 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.05 3.47 -0.02 0.00 -1.26 -5.09 105.19 102.35 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 0.00 3.37 0.12 0.99 1.02 -1.26 -5.00 118.68 117.93 2kmf s LEU 62 Ca 0.00 -0.16 -0.16 0.00 0.02 0.00 0.00 54.13 53.83 2kmf s LEU 62 Cb 0.00 -1.87 -0.02 0.00 0.02 0.00 0.00 46.19 44.32 2kmf s LEU 62 CO 0.00 0.06 1.61 0.50 0.02 0.00 0.00 176.35 178.54 2kmf h LYS 63 N 7.54 0.60 0.03 1.70 1.63 -1.98 -0.15 116.57 125.94 2kmf h LYS 63 Ca -0.36 -0.15 -0.00 0.00 -0.85 0.00 0.00 60.65 59.28 2kmf h LYS 63 Cb 1.18 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.73 2kmf h LYS 63 CO 0.61 0.65 -0.01 1.03 -3.45 0.00 0.00 179.45 178.28 2kmf h SER 64 N 0.46 -0.03 -0.27 4.20 0.87 -1.89 0.32 113.55 117.20 2kmf h SER 64 Ca 0.12 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 2kmf h SER 64 Cb 0.33 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 2kmf h SER 64 CO 0.00 0.16 0.12 0.15 -0.53 0.00 0.00 176.83 176.73 2kmf h PHE 65 N -0.22 0.40 -0.15 2.24 3.57 -1.94 0.34 116.94 121.18 2kmf h PHE 65 Ca -0.00 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 2kmf h PHE 65 Cb 0.21 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 2kmf h PHE 65 CO -0.01 0.39 0.01 1.79 -2.23 0.00 0.00 178.31 178.26 2kmf h THR 66 N 0.30 1.24 -0.28 4.41 1.35 -1.00 0.53 112.91 119.46 2kmf h THR 66 Ca 0.09 -0.77 -0.02 0.00 -0.55 0.00 0.00 66.41 65.17 2kmf h THR 66 Cb 0.15 1.47 -0.01 0.00 -1.73 0.00 0.00 68.15 68.02 2kmf h THR 66 CO -0.01 0.23 0.11 0.74 -0.25 0.00 0.00 175.52 176.34 2kmf h THR 67 N 0.01 1.17 -0.67 6.82 2.02 -0.29 -2.94 112.91 119.04 2kmf h THR 67 Ca 0.04 -0.53 -0.08 0.00 0.77 0.00 0.00 66.41 66.61 2kmf h THR 67 Cb 0.34 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 2kmf h THR 67 CO 0.01 0.18 0.10 0.24 0.37 0.00 0.00 175.52 176.42 2kmf h MET 68 N 0.30 1.11 -0.35 6.66 2.07 -0.32 -1.29 114.93 123.12 2kmf h MET 68 Ca 0.09 -0.30 0.08 0.00 -2.07 0.00 0.00 59.70 57.50 2kmf h MET 68 Cb 0.18 -0.13 -0.08 0.00 -1.87 0.00 0.00 31.60 29.70 2kmf h MET 68 CO -0.01 1.02 -0.19 0.37 1.07 0.00 0.00 176.91 179.17 2kmf h GLN 69 N 1.03 -0.13 -0.20 1.72 4.15 -0.71 0.60 115.11 121.56 2kmf h GLN 69 Ca 0.20 0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.54 2kmf h GLN 69 Cb 0.45 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.17 2kmf h GLN 69 CO 0.01 -0.09 -0.21 1.15 -1.93 0.00 0.00 178.83 177.76 2kmf h THR 70 N -0.14 1.33 -0.26 2.39 2.02 -1.43 -2.47 112.91 114.34 2kmf h THR 70 Ca 0.18 -1.38 0.03 0.00 0.77 0.00 0.00 66.41 66.00 2kmf h THR 70 Cb 0.41 1.77 -0.03 0.00 -1.74 0.00 0.00 68.15 68.56 2kmf h THR 70 CO -0.44 0.42 0.08 0.00 0.37 0.00 0.00 175.52 175.96 2kmf h ALA 71 N 0.64 0.29 -0.50 6.16 0.00 -0.65 0.22 119.26 125.43 2kmf h ALA 71 Ca 0.03 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2kmf h ALA 71 Cb 0.76 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2kmf h ALA 71 CO 0.05 -0.33 0.24 -0.07 0.00 0.00 0.00 179.25 179.15 2kmf h LEU 72 N 0.20 0.65 -0.63 0.00 3.38 0.14 -2.19 115.31 116.86 2kmf h LEU 72 Ca 0.12 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 2kmf h LEU 72 Cb 0.09 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2kmf h LEU 72 CO -0.13 0.60 -0.01 0.78 0.09 0.00 0.00 178.44 179.77 2kmf h ASN 73 N 0.66 1.05 -0.39 -0.43 2.35 -1.11 0.48 115.58 118.19 2kmf h ASN 73 Ca 0.17 -0.30 0.01 0.00 -0.55 0.00 0.00 56.30 55.63 2kmf h ASN 73 Cb 0.11 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 2kmf h ASN 73 CO -0.02 1.10 0.24 0.28 -1.65 0.00 0.00 177.43 177.38 2kmf h SER 74 N 0.97 0.40 0.78 5.81 0.02 -0.31 -1.16 113.55 120.07 2kmf h SER 74 Ca 0.17 -0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.90 2kmf h SER 74 Cb 0.57 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 2kmf h SER 74 CO 0.03 0.29 -1.00 0.17 -1.14 0.00 0.00 176.83 175.18 2kmf h LEU 75 N 0.49 0.16 -0.78 5.07 8.10 -1.34 -3.16 115.31 123.84 2kmf h LEU 75 Ca 0.15 -0.16 -0.05 0.00 0.11 0.00 0.00 57.88 57.93 2kmf h LEU 75 Cb -0.02 -0.05 -0.03 0.00 -0.44 0.00 0.00 40.66 40.12 2kmf h LEU 75 CO -0.06 1.06 0.28 0.00 -4.11 0.00 0.00 178.44 175.62 2kmf h ALA 76 N 0.92 1.02 0.00 0.17 0.00 -0.67 -1.99 119.26 118.71 2kmf h ALA 76 Ca -0.05 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 2kmf h ALA 76 Cb 1.70 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 2kmf h ALA 76 CO 0.14 0.67 -0.21 0.78 0.00 0.00 0.00 179.25 180.63 2kmf h GLY 77 N 1.15 0.00 0.96 0.00 0.00 -1.26 -3.04 103.07 100.88 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 -0.02 0.00 0.21 -0.97 0.00 0.00 0.00 176.54 175.76 2kmf h TYR 78 N 0.00 0.55 -0.14 5.60 -1.99 -1.32 1.24 116.97 120.90 2kmf h TYR 78 Ca -0.00 -0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.71 2kmf h TYR 78 Cb 0.62 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 39.17 2kmf h TYR 78 CO 0.00 0.43 0.08 1.88 -0.00 0.00 0.00 178.16 180.56 2kmf h TYR 79 N 0.50 0.19 -0.00 4.88 0.05 -1.50 -1.62 116.97 119.47 2kmf h TYR 79 Ca 0.14 -0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.72 2kmf h TYR 79 Cb 0.07 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.74 2kmf h TYR 79 CO -0.02 0.18 -0.86 1.79 -1.05 0.00 0.00 178.16 178.21 2kmf h THR 80 N 0.15 1.48 -0.34 -2.88 1.35 -1.54 1.75 112.91 112.87 2kmf h THR 80 Ca 0.05 -2.55 -0.01 0.00 -0.55 0.00 0.00 66.41 63.35 2kmf h THR 80 Cb 0.05 2.42 -0.02 0.00 -1.73 0.00 0.00 68.15 68.87 2kmf h THR 80 CO -0.01 0.75 0.18 -1.28 -0.25 0.00 0.00 175.52 174.91 2kmf h SER 81 N 0.12 0.43 0.00 5.36 0.87 0.17 -3.29 113.55 117.22 2kmf h SER 81 Ca -0.04 -0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.38 2kmf h SER 81 Cb 1.47 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 63.32 2kmf h SER 81 CO 0.13 0.41 -1.72 -1.22 -0.53 0.00 0.00 176.83 173.90 2kmf n TYR 82 N -4.77 0.00 0.00 2.24 4.01 -0.62 -5.06 117.16 112.95 2kmf n TYR 82 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 2kmf n TYR 82 Cb 0.09 -0.39 0.00 0.00 -0.31 0.00 0.00 39.34 38.72 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 0.87 0.41 2.72 0.00 0.60 -4.17 105.19 107.36 2kmf n GLY 83 Ca -0.06 -1.21 0.14 0.00 0.00 0.00 0.00 46.02 44.88 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 1.76 2.58 -1.70 4.61 0.00 -1.26 -4.35 120.51 122.15 2kmf n ALA 84 Ca 0.00 -0.41 -0.44 0.00 0.00 0.00 0.00 53.44 52.59 2kmf n ALA 84 Cb 0.00 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.21 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 -0.00 2.40 -2.14 0.00 0.63 -1.26 -4.86 116.66 111.43 2kmf n ARG 85 Ca 0.19 0.86 -0.37 0.00 -0.92 0.00 0.00 57.85 57.61 2kmf n ARG 85 Cb 0.31 -2.62 0.00 0.00 0.45 0.00 0.00 32.46 30.60 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 0.25 3.62 0.24 -0.14 0.04 -1.26 -4.86 135.00 132.89 2kmf s PRO 86 Ca 0.71 1.89 -0.30 0.00 0.04 0.00 0.00 61.00 63.35 2kmf s PRO 86 Cb -0.59 -2.38 -0.10 0.00 0.04 0.00 0.00 34.50 31.47 2kmf s PRO 86 CO 0.42 -0.70 1.44 0.42 0.04 0.00 0.00 177.00 178.63 2kmf s ILE 87 N -1.48 2.68 0.52 0.56 1.01 -1.26 -4.94 121.20 118.28 2kmf s ILE 87 Ca 0.65 0.56 -0.20 0.00 0.00 0.00 0.00 60.65 61.67 2kmf s ILE 87 Cb -0.32 -3.36 -0.09 0.00 0.01 0.00 0.00 42.46 38.70 2kmf s ILE 87 CO 0.38 0.09 0.62 -2.65 0.00 0.00 0.00 174.94 173.38 2kmf n PRO 88 N 2.47 0.66 -0.01 2.79 -0.02 -1.26 -4.73 135.00 134.89 2kmf n PRO 88 Ca 0.07 0.25 -0.01 0.00 -2.02 0.00 0.00 63.50 61.79 2kmf n PRO 88 Cb 0.40 -1.73 0.28 0.00 -0.02 0.00 0.00 33.50 32.43 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 0.55 0.55 -0.16 -0.52 5.08 -1.99 -0.24 114.58 117.85 2kmf h GLU 89 Ca -0.44 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 57.78 2kmf h GLU 89 Cb 1.39 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 2kmf h GLU 89 CO 0.49 0.58 0.06 0.87 -1.00 0.00 0.00 179.01 180.02 2kmf h LYS 90 N 0.52 0.23 -0.50 2.33 1.57 -2.01 -2.73 116.57 115.98 2kmf h LYS 90 Ca 0.11 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.72 2kmf h LYS 90 Cb 0.36 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2kmf h LYS 90 CO 0.01 0.32 -0.19 1.25 -0.57 0.00 0.00 179.45 180.27 2kmf h LEU 91 N 0.10 1.04 -0.73 2.94 5.85 -1.86 -3.06 115.31 119.57 2kmf h LEU 91 Ca 0.05 -0.38 0.15 0.00 0.84 0.00 0.00 57.88 58.54 2kmf h LEU 91 Cb 0.17 -0.29 -0.11 0.00 0.37 0.00 0.00 40.66 40.81 2kmf h LEU 91 CO -0.00 1.19 0.20 0.50 -0.34 0.00 0.00 178.44 179.99 2kmf h LYS 92 N 0.88 0.30 -0.60 1.25 3.64 -0.90 0.65 116.57 121.80 2kmf h LYS 92 Ca 0.12 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 2kmf h LYS 92 Cb 0.77 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.50 2kmf h LYS 92 CO 0.06 0.20 0.31 0.87 -2.27 0.00 0.00 179.45 178.62 2kmf h LYS 93 N 0.30 0.84 -0.74 1.90 1.57 -1.39 -1.96 116.57 117.10 2kmf h LYS 93 Ca 0.41 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 59.05 2kmf h LYS 93 Cb 0.69 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 2kmf h LYS 93 CO -0.48 0.66 0.35 0.00 -0.57 0.00 0.00 179.45 179.41 2kmf h ARG 94 N 0.81 1.08 -0.82 3.15 3.08 -0.93 -2.65 114.38 118.10 2kmf h ARG 94 Ca 0.21 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 2kmf h ARG 94 Cb 0.08 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 2kmf h ARG 94 CO -0.03 0.85 0.40 -0.07 -1.07 0.00 0.00 179.97 180.04 2kmf h LEU 95 N 1.05 1.06 -0.39 3.04 -0.00 -0.66 -1.11 115.31 118.30 2kmf h LEU 95 Ca 0.25 -0.13 0.07 0.00 -0.00 0.00 0.00 57.88 58.07 2kmf h LEU 95 Cb 0.13 -0.27 -0.06 0.00 -0.00 0.00 0.00 40.66 40.46 2kmf h LEU 95 CO -0.03 0.90 0.04 1.56 -0.00 0.00 0.00 178.44 180.91 2kmf h GLN 96 N 1.16 0.16 -0.49 1.13 1.08 -1.01 -1.58 115.11 115.56 2kmf h GLN 96 Ca 0.28 -0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.42 2kmf h GLN 96 Cb 0.11 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 2kmf h GLN 96 CO -0.04 0.10 0.09 -0.07 -0.95 0.00 0.00 178.83 177.97 2kmf h LEU 97 N 0.16 0.76 -0.75 1.46 4.07 -1.31 -1.98 115.31 117.72 2kmf h LEU 97 Ca 0.19 -0.25 0.15 0.00 0.08 0.00 0.00 57.88 58.05 2kmf h LEU 97 Cb 0.25 -0.20 -0.10 0.00 1.08 0.00 0.00 40.66 41.69 2kmf h LEU 97 CO -0.28 0.82 0.27 -0.33 -1.08 0.00 0.00 178.44 177.84 2kmf h GLU 98 N 0.67 0.38 -0.14 1.13 5.08 -0.39 0.21 114.58 121.53 2kmf h GLU 98 Ca 0.15 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.35 2kmf h GLU 98 Cb 0.37 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2kmf h GLU 98 CO 0.01 0.25 -0.51 0.74 -1.00 0.00 0.00 179.01 178.50 2kmf h PHE 99 N 0.39 0.45 -0.67 4.33 0.04 -1.13 -2.80 116.94 117.55 2kmf h PHE 99 Ca 0.42 -0.15 0.03 0.00 2.80 0.00 0.00 57.97 61.07 2kmf h PHE 99 Cb 0.66 -0.09 -0.04 0.00 2.20 0.00 0.00 35.95 38.68 2kmf h PHE 99 CO -0.19 0.80 0.42 1.15 -0.60 0.00 0.00 178.31 179.89 2kmf h THR 100 N 0.29 1.09 -0.22 -1.55 2.02 0.14 0.50 112.91 115.17 2kmf h THR 100 Ca 0.01 -0.28 -0.10 0.00 0.77 0.00 0.00 66.41 66.82 2kmf h THR 100 Cb 0.99 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 2kmf h THR 100 CO 0.09 0.15 -0.28 1.56 0.37 0.00 0.00 175.52 177.41 2kmf h GLN 101 N 0.82 0.43 0.17 6.66 7.50 -1.17 -1.82 115.11 127.70 2kmf h GLN 101 Ca 0.27 -0.17 -0.01 0.00 0.50 0.00 0.00 58.65 59.24 2kmf h GLN 101 Cb 0.02 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 27.53 2kmf h GLN 101 CO -0.11 0.67 -0.08 0.00 -1.50 0.00 0.00 178.83 177.81 2kmf h ALA 102 N 1.33 -0.23 -0.65 3.87 0.00 -0.98 -0.99 119.26 121.60 2kmf h ALA 102 Ca 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2kmf h ALA 102 Cb 0.68 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2kmf h ALA 102 CO 0.05 -0.43 0.32 1.05 0.00 0.00 0.00 179.25 180.24 2kmf h GLU 103 N -0.63 0.92 -0.51 0.00 4.11 -0.96 -1.90 114.58 115.61 2kmf h GLU 103 Ca -0.02 -0.12 -0.08 0.00 0.07 0.00 0.00 59.36 59.21 2kmf h GLU 103 Cb 0.46 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2kmf h GLU 103 CO 0.04 0.71 -0.00 0.00 0.07 0.00 0.00 179.01 179.83 2kmf h ARG 104 N 0.92 0.86 0.00 1.06 3.08 -1.31 -2.38 114.38 116.61 2kmf h ARG 104 Ca 0.23 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 2kmf h ARG 104 Cb 0.09 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 2kmf h ARG 104 CO -0.03 0.87 -0.14 0.77 -1.07 0.00 0.00 179.97 180.36 2kmf h SER 105 N 0.80 0.00 -0.60 7.04 0.02 -0.38 -2.59 113.55 117.84 2kmf h SER 105 Ca 0.15 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 2kmf h SER 105 Cb 0.49 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.00 2kmf h SER 105 CO 0.02 0.14 0.26 0.40 -1.14 0.00 0.00 176.83 176.52 2kmf h ILE 106 N 0.00 1.22 -0.51 3.27 1.08 -1.00 0.20 117.51 121.77 2kmf h ILE 106 Ca -0.00 -0.66 0.10 0.00 -0.39 0.00 0.00 64.86 63.91 2kmf h ILE 106 Cb 0.29 0.54 -0.08 0.00 -3.07 0.00 0.00 36.82 34.50 2kmf h ILE 106 CO 0.02 0.26 0.01 -0.08 -0.69 0.00 0.00 178.15 177.67 2kmf h GLU 107 N 0.83 0.13 0.00 2.37 4.22 -1.50 0.71 114.58 121.34 2kmf h GLU 107 Ca 0.20 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.62 2kmf h GLU 107 Cb 0.16 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 2kmf h GLU 107 CO -0.02 0.08 -0.05 0.07 -2.18 0.00 0.00 179.01 176.91 2kmf h ARG 108 N 0.13 0.00 -5.46 1.92 0.11 -1.60 -3.48 114.38 106.00 2kmf h ARG 108 Ca 0.26 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 60.10 2kmf h ARG 108 Cb 0.38 0.00 0.18 0.00 1.11 0.00 0.00 29.97 31.64 2kmf h ARG 108 CO -0.41 0.05 -0.79 0.41 0.10 0.00 0.00 179.97 179.33 2kmf n GLY 109 N 1.06 -1.17 0.00 0.08 0.00 0.70 -5.13 105.19 100.73 2kmf n GLY 109 Ca 0.04 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.63 2kmf n GLY 109 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65