#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2afp s ARG 2 N 0.00 3.05 -0.29 3.69 3.00 -1.26 -5.12 118.95 122.03 2afp s ARG 2 Ca 0.00 -0.77 -0.16 0.00 0.00 0.00 0.00 55.73 54.80 2afp s ARG 2 Cb 0.00 -2.68 0.13 0.00 0.00 0.00 0.00 34.95 32.40 2afp s ARG 2 CO 0.00 -0.14 0.92 0.00 0.00 0.00 0.00 175.30 176.08 2afp s ALA 3 N -2.38 -2.20 0.40 2.13 0.00 -1.26 -5.17 121.76 113.27 2afp s ALA 3 Ca 0.47 2.24 -0.00 0.00 0.00 0.00 0.00 51.96 54.68 2afp s ALA 3 Cb -0.10 -1.66 -0.02 0.00 0.00 0.00 0.00 23.12 21.34 2afp s ALA 3 CO 0.35 -0.35 0.62 0.20 0.00 0.00 0.00 175.76 176.57 2afp s GLY 4 N 1.39 1.44 -0.13 0.00 0.00 -1.26 -5.05 107.32 103.70 2afp s GLY 4 Ca -0.09 -0.93 -0.15 0.00 0.00 0.00 0.00 44.72 43.55 2afp s GLY 4 CO -0.16 -0.81 0.33 -0.56 0.00 0.00 0.00 173.10 171.89 2afp h PRO 5 N 0.57 0.00 0.00 2.90 0.13 -2.02 -3.43 132.00 130.15 2afp h PRO 5 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2afp h PRO 5 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2afp h PRO 5 CO 0.60 0.51 -0.14 -0.91 -0.23 0.00 0.00 178.00 177.83 2afp h ASN 6 N -1.00 0.00 -4.71 1.44 -0.26 -1.97 -3.49 115.58 105.59 2afp h ASN 6 Ca -0.03 0.00 -0.30 0.00 -0.56 0.00 0.00 56.30 55.41 2afp h ASN 6 Cb 0.59 0.00 -0.21 0.00 -1.06 0.00 0.00 38.32 37.64 2afp h ASN 6 CO -0.02 0.43 -0.74 0.00 -1.06 0.00 0.00 177.43 176.04 2afp h PRO 8 N 4.43 0.00 0.00 0.00 0.13 -1.94 -3.40 132.00 131.21 2afp h PRO 8 Ca -0.37 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.55 2afp h PRO 8 Cb 1.20 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.43 2afp h PRO 8 CO 0.41 0.09 0.09 0.00 -0.23 0.00 0.00 178.00 178.36 2afp n ALA 9 N -2.94 -1.62 0.14 -0.56 0.00 -1.26 -4.83 120.51 109.44 2afp n ALA 9 Ca -0.03 -0.85 -0.14 0.00 0.00 0.00 0.00 53.44 52.42 2afp n ALA 9 Cb 0.10 -0.06 -0.08 0.00 0.00 0.00 0.00 19.45 19.41 2afp n ALA 9 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2afp h GLY 10 N -1.53 -0.29 0.00 0.00 0.00 -2.06 -3.48 103.07 95.71 2afp h GLY 10 Ca -0.22 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2afp h GLY 10 CO 0.14 -0.11 0.00 0.79 0.00 0.00 0.00 176.54 177.37 2afp n TRP 11 N -5.18 -1.76 -3.17 5.60 7.02 -1.26 -4.57 117.44 114.11 2afp n TRP 11 Ca -0.09 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.17 2afp n TRP 11 Cb 0.15 0.27 -0.05 0.00 -2.42 0.00 0.00 31.31 29.26 2afp n TRP 11 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 2afp n GLN 12 N -1.54 1.40 -2.67 -0.99 6.02 -1.05 -5.05 117.38 113.50 2afp n GLN 12 Ca 0.00 -3.69 -0.43 0.00 -0.01 0.00 0.00 57.00 52.88 2afp n GLN 12 Cb 0.00 -1.71 -0.02 0.00 1.02 0.00 0.00 30.24 29.53 2afp n GLN 12 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2afp s PRO 13 N -2.26 3.98 0.02 -1.09 0.04 -1.25 -2.86 135.00 131.58 2afp s PRO 13 Ca 0.40 0.92 -0.17 0.00 0.04 0.00 0.00 61.00 62.19 2afp s PRO 13 Cb 0.27 -3.77 -0.09 0.00 0.04 0.00 0.00 34.50 30.95 2afp s PRO 13 CO -0.09 -0.97 1.16 1.25 0.04 0.00 0.00 177.00 178.39 2afp h LEU 14 N 10.23 -0.52 0.00 -3.56 5.85 -1.88 -3.44 115.31 121.98 2afp h LEU 14 Ca -0.21 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.52 2afp h LEU 14 Cb 1.06 0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.23 2afp h LEU 14 CO 1.03 -0.35 -0.04 0.61 -0.34 0.00 0.00 178.44 179.36 2afp n GLY 15 N -1.02 -0.24 0.04 3.75 0.00 -1.26 -5.02 105.19 101.44 2afp n GLY 15 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2afp n GLY 15 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2afp n ASP 16 N -2.61 0.89 -3.86 1.61 8.00 -1.26 -5.10 116.55 114.22 2afp n ASP 16 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 2afp n ASP 16 Cb 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 2afp n ASP 16 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2afp n ARG 17 N -1.75 0.69 -3.80 -1.24 1.74 -1.26 -4.94 116.66 106.10 2afp n ARG 17 Ca 0.00 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.87 2afp n ARG 17 Cb 0.11 0.00 -0.17 0.00 -1.02 0.00 0.00 32.46 31.38 2afp n ARG 17 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2afp s ILE 19 N 1.77 0.15 0.34 0.00 2.07 -1.14 0.15 121.20 124.55 2afp s ILE 19 Ca 0.01 -1.83 0.03 0.00 -1.41 0.00 0.00 60.65 57.45 2afp s ILE 19 Cb -0.13 -1.80 -0.01 0.00 0.13 0.00 0.00 42.46 40.65 2afp s ILE 19 CO -0.04 -0.68 0.10 -1.22 -1.91 0.00 0.00 174.94 171.20 2afp n TYR 20 N -0.02 0.22 -3.52 3.50 4.01 0.29 -2.54 117.16 119.11 2afp n TYR 20 Ca -0.09 -2.13 -0.16 0.00 -0.16 0.00 0.00 57.90 55.36 2afp n TYR 20 Cb 0.63 -0.04 -0.05 0.00 -0.31 0.00 0.00 39.34 39.56 2afp n TYR 20 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 2afp s TYR 21 N -2.76 -0.58 0.21 -0.72 5.04 -1.26 -4.01 117.35 113.26 2afp s TYR 21 Ca 0.15 0.95 0.04 0.00 -2.44 0.00 0.00 57.07 55.77 2afp s TYR 21 Cb 0.01 0.43 -0.02 0.00 0.35 0.00 0.00 41.96 42.73 2afp s TYR 21 CO 0.10 -0.57 0.15 0.39 -1.34 0.00 0.00 175.55 174.29 2afp n GLU 22 N 0.75 0.34 0.00 4.97 1.02 -1.12 -5.00 120.64 121.60 2afp n GLU 22 Ca -0.17 -2.02 0.00 0.00 -0.02 0.00 0.00 57.16 54.95 2afp n GLU 22 Cb 0.58 1.55 0.00 0.00 -0.02 0.00 0.00 31.44 33.55 2afp n GLU 22 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2afp n THR 23 N -0.42 0.00 -1.63 2.62 -2.24 -1.26 -4.47 114.28 106.89 2afp n THR 23 Ca 0.03 0.00 -0.48 0.00 -2.27 0.00 0.00 64.05 61.33 2afp n THR 23 Cb 0.37 -0.13 -0.04 0.00 -2.10 0.00 0.00 70.33 68.42 2afp n THR 23 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2afp n THR 24 N -1.75 0.32 -1.56 4.28 -1.04 -1.26 -4.37 114.28 108.89 2afp n THR 24 Ca 0.00 -0.08 -0.41 0.00 -2.04 0.00 0.00 64.05 61.52 2afp n THR 24 Cb 0.02 -1.18 -0.04 0.00 -1.82 0.00 0.00 70.33 67.32 2afp n THR 24 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2afp n ALA 25 N 2.53 1.30 -3.98 2.41 0.00 -1.26 -4.34 120.51 117.17 2afp n ALA 25 Ca 0.16 -0.51 -0.30 0.00 0.00 0.00 0.00 53.44 52.80 2afp n ALA 25 Cb 0.25 -2.99 -0.16 0.00 0.00 0.00 0.00 19.45 16.55 2afp n ALA 25 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2afp s MET 26 N 7.19 1.99 -0.01 0.00 1.00 0.19 -4.62 119.30 125.05 2afp s MET 26 Ca 1.02 -0.64 -0.03 0.00 0.00 0.00 0.00 55.69 56.04 2afp s MET 26 Cb -0.34 -2.17 -0.02 0.00 0.00 0.00 0.00 34.83 32.30 2afp s MET 26 CO 0.33 -0.35 0.48 1.15 0.00 0.00 0.00 175.02 176.64 2afp h THR 27 N 6.25 0.00 0.00 2.05 2.02 -1.84 -3.10 112.91 118.30 2afp h THR 27 Ca -0.31 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 66.76 2afp h THR 27 Cb 1.12 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 2afp h THR 27 CO 0.48 0.00 0.00 1.87 0.37 0.00 0.00 175.52 178.24 2afp n TRP 28 N -2.59 -0.73 0.14 3.16 -0.00 -1.26 -4.75 117.44 111.41 2afp n TRP 28 Ca -0.01 0.00 0.05 0.00 -0.00 0.00 0.00 57.50 57.53 2afp n TRP 28 Cb 0.04 0.15 0.49 0.00 -0.00 0.00 0.00 31.31 31.99 2afp n TRP 28 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2afp h ALA 29 N 0.00 1.72 0.00 5.87 0.00 -1.94 -1.45 119.26 123.47 2afp h ALA 29 Ca 0.00 -0.10 -0.30 0.00 0.00 0.00 0.00 54.91 54.51 2afp h ALA 29 Cb 0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 2afp h ALA 29 CO 0.00 0.21 -2.32 1.28 0.00 0.00 0.00 179.25 178.43 2afp n LEU 30 N -4.41 0.00 0.00 0.00 4.77 -1.26 -4.07 117.00 112.04 2afp n LEU 30 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2afp n LEU 30 Cb 0.16 0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 2afp n LEU 30 CO 0.36 0.41 0.23 0.00 -1.33 0.00 0.00 177.39 177.06 2afp n ALA 31 N -2.66 -0.17 -0.20 -1.18 0.00 -1.05 -3.39 120.51 111.85 2afp n ALA 31 Ca -0.28 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.17 2afp n ALA 31 Cb 1.06 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.62 2afp n ALA 31 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2afp h GLU 32 N 0.00 0.32 -0.93 0.00 4.22 -1.55 -1.98 114.58 114.66 2afp h GLU 32 Ca 0.00 -0.02 0.23 0.00 0.08 0.00 0.00 59.36 59.65 2afp h GLU 32 Cb 0.00 -0.07 -0.12 0.00 0.50 0.00 0.00 28.75 29.05 2afp h GLU 32 CO 0.00 0.21 0.46 0.00 -2.18 0.00 0.00 179.01 177.51 2afp h THR 33 N 0.33 0.49 0.48 0.32 1.03 -1.71 0.38 112.91 114.24 2afp h THR 33 Ca 0.32 -0.16 -0.02 0.00 -0.01 0.00 0.00 66.41 66.54 2afp h THR 33 Cb 0.44 -0.01 0.00 0.00 -1.07 0.00 0.00 68.15 67.52 2afp h THR 33 CO -0.36 0.08 -0.23 -1.13 -0.01 0.00 0.00 175.52 173.87 2afp h ASN 34 N 0.46 -0.55 0.35 0.00 -0.73 -1.37 -2.42 115.58 111.32 2afp h ASN 34 Ca 0.59 -0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.72 2afp h ASN 34 Cb 1.13 0.14 0.00 0.00 0.27 0.00 0.00 38.32 39.86 2afp h ASN 34 CO -0.51 -0.30 0.00 0.00 -0.37 0.00 0.00 177.43 176.24 2afp h MET 36 N 0.00 0.63 0.14 0.00 1.85 0.23 -2.12 114.93 115.67 2afp h MET 36 Ca 0.00 -0.04 -0.01 0.00 -0.61 0.00 0.00 59.70 59.05 2afp h MET 36 Cb 0.17 -0.14 0.00 0.00 0.43 0.00 0.00 31.60 32.06 2afp h MET 36 CO 0.00 0.42 -0.07 -0.22 -0.40 0.00 0.00 176.91 176.64 2afp h LYS 37 N 0.65 -0.19 -3.44 0.39 1.63 -1.67 -3.46 116.57 110.48 2afp h LYS 37 Ca 0.55 0.01 -0.28 0.00 -0.85 0.00 0.00 60.65 60.08 2afp h LYS 37 Cb 1.01 0.04 -0.33 0.00 -0.60 0.00 0.00 32.23 32.35 2afp h LYS 37 CO -0.31 0.25 -0.69 -0.48 -3.45 0.00 0.00 179.45 174.77 2afp s LEU 38 N -8.91 0.95 0.00 5.20 0.05 -0.80 -4.87 118.68 110.30 2afp s LEU 38 Ca -0.12 0.12 0.00 0.00 0.05 0.00 0.00 54.13 54.17 2afp s LEU 38 Cb 0.00 0.05 0.00 0.00 -2.05 0.00 0.00 46.19 44.20 2afp s LEU 38 CO 0.46 -0.14 0.00 0.61 -0.55 0.00 0.00 176.35 176.73 2afp n GLY 39 N 4.22 0.04 6.71 -3.48 0.00 -1.20 -4.38 105.19 107.10 2afp n GLY 39 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2afp n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2afp n GLY 40 N 0.00 1.74 3.02 -0.02 0.00 -1.25 -3.45 105.19 105.23 2afp n GLY 40 Ca 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 2afp n GLY 40 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2afp n HIS 41 N 0.00 -1.45 -1.69 1.61 8.25 -1.24 -4.66 115.22 116.04 2afp n HIS 41 Ca 0.00 -1.14 -0.43 0.00 -0.26 0.00 0.00 57.72 55.89 2afp n HIS 41 Cb 0.00 0.56 -0.01 0.00 1.12 0.00 0.00 29.99 31.66 2afp n HIS 41 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2afp n LEU 42 N 0.00 3.42 -4.98 2.41 4.77 -1.26 -2.30 117.00 119.06 2afp n LEU 42 Ca -0.03 1.20 -0.26 0.00 -0.03 0.00 0.00 56.01 56.89 2afp n LEU 42 Cb 0.46 -1.47 0.14 0.00 -2.33 0.00 0.00 43.42 40.22 2afp n LEU 42 CO 0.18 -0.52 0.66 0.00 -1.33 0.00 0.00 177.39 176.38 2afp s ALA 43 N -0.93 3.24 -0.02 -1.18 0.00 0.20 -4.75 121.76 118.32 2afp s ALA 43 Ca 0.57 -1.60 0.01 0.00 0.00 0.00 0.00 51.96 50.94 2afp s ALA 43 Cb -0.58 -2.23 0.03 0.00 0.00 0.00 0.00 23.12 20.33 2afp s ALA 43 CO 0.60 -1.80 1.01 0.43 0.00 0.00 0.00 175.76 176.00 2afp n SER 44 N -3.15 -1.00 -0.28 0.00 7.64 -1.26 -4.46 113.62 111.10 2afp n SER 44 Ca 0.15 -1.96 0.03 0.00 1.01 0.00 0.00 58.87 58.10 2afp n SER 44 Cb 0.60 0.32 -0.01 0.00 -1.01 0.00 0.00 64.21 64.11 2afp n SER 44 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 2afp n ILE 45 N -0.10 0.00 0.00 0.44 -5.35 -1.26 -5.00 119.36 108.09 2afp n ILE 45 Ca -0.27 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 2afp n ILE 45 Cb 0.70 -0.07 0.00 0.00 -1.74 0.00 0.00 39.64 38.53 2afp n ILE 45 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 2afp n HIS 46 N -1.01 -0.50 -0.69 4.28 8.25 -1.26 -5.10 115.22 119.19 2afp n HIS 46 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2afp n HIS 46 Cb 0.09 0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.47 2afp n HIS 46 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2afp n SER 47 N -1.81 -0.55 0.01 0.41 2.88 -1.26 -4.97 113.62 108.32 2afp n SER 47 Ca 0.00 -0.69 -0.09 0.00 -1.33 0.00 0.00 58.87 56.76 2afp n SER 47 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 2afp n SER 47 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 2afp h GLN 48 N 0.00 0.02 -0.33 -1.46 4.15 -2.00 -3.31 115.11 112.19 2afp h GLN 48 Ca 0.00 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 2afp h GLN 48 Cb 0.00 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 2afp h GLN 48 CO 0.00 0.70 0.16 0.93 -1.93 0.00 0.00 178.83 178.69 2afp h GLU 49 N 0.01 0.45 -0.19 1.69 5.08 -2.00 0.13 114.58 119.75 2afp h GLU 49 Ca -0.21 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.05 2afp h GLU 49 Cb 1.94 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 31.09 2afp h GLU 49 CO 0.10 0.35 -0.13 0.93 -1.00 0.00 0.00 179.01 179.27 2afp h GLU 50 N 0.45 0.30 -0.76 2.33 5.08 -1.94 -0.93 114.58 119.12 2afp h GLU 50 Ca 0.12 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2afp h GLU 50 Cb 0.05 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2afp h GLU 50 CO -0.02 0.44 0.36 1.25 -1.00 0.00 0.00 179.01 180.04 2afp h HIS 51 N 0.29 1.10 -0.71 4.33 2.76 -0.85 -0.96 115.15 121.10 2afp h HIS 51 Ca 0.06 -0.06 0.10 0.00 -2.20 0.00 0.00 60.37 58.27 2afp h HIS 51 Cb 0.40 -0.34 -0.05 0.00 1.55 0.00 0.00 27.41 28.98 2afp h HIS 51 CO 0.01 0.81 0.47 1.03 -1.30 0.00 0.00 177.93 178.94 2afp h SER 52 N 1.07 0.51 -0.47 3.26 0.87 -0.59 -1.31 113.55 116.90 2afp h SER 52 Ca 0.26 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.82 2afp h SER 52 Cb 0.13 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 2afp h SER 52 CO -0.03 0.30 0.22 0.15 -0.53 0.00 0.00 176.83 176.94 2afp h PHE 53 N 0.57 0.68 0.00 2.24 3.57 -0.70 0.12 116.94 123.42 2afp h PHE 53 Ca 0.33 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.80 2afp h PHE 53 Cb 0.52 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.05 2afp h PHE 53 CO -0.00 0.55 0.00 0.44 -2.23 0.00 0.00 178.31 177.07 2afp n ILE 54 N -4.63 0.02 -0.01 1.41 -5.35 -0.56 -3.67 119.36 106.58 2afp n ILE 54 Ca 0.01 0.00 0.03 0.00 -0.27 0.00 0.00 62.75 62.53 2afp n ILE 54 Cb 0.12 -0.51 -0.05 0.00 -1.74 0.00 0.00 39.64 37.45 2afp n ILE 54 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 2afp n GLN 55 N -1.32 0.53 0.08 6.28 0.00 -0.81 -3.17 117.38 118.97 2afp n GLN 55 Ca 0.13 -0.06 -0.06 0.00 -0.00 0.00 0.00 57.00 57.01 2afp n GLN 55 Cb 0.25 -1.17 0.09 0.00 0.00 0.00 0.00 30.24 29.42 2afp n GLN 55 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 2afp h THR 56 N 0.00 1.41 0.00 1.69 2.02 -0.85 -3.32 112.91 113.86 2afp h THR 56 Ca -0.02 -2.11 -0.22 0.00 0.77 0.00 0.00 66.41 64.83 2afp h THR 56 Cb 0.44 2.09 -0.04 0.00 -1.74 0.00 0.00 68.15 68.90 2afp h THR 56 CO 0.00 0.62 -1.86 0.18 0.37 0.00 0.00 175.52 174.83 2afp n LEU 57 N -3.83 0.00 0.00 2.58 4.77 -1.24 -5.01 117.00 114.27 2afp n LEU 57 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2afp n LEU 57 Cb 0.66 0.30 0.00 0.00 -2.33 0.00 0.00 43.42 42.05 2afp n LEU 57 CO 0.45 0.30 0.00 0.59 -1.33 0.00 0.00 177.39 177.41 2afp n ASN 58 N -2.46 0.00 -3.37 -1.43 5.03 -1.19 -4.79 115.26 107.06 2afp n ASN 58 Ca -0.20 0.00 -0.11 0.00 0.87 0.00 0.00 54.58 55.14 2afp n ASN 58 Cb 0.90 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.66 2afp n ASN 58 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2afp n ALA 59 N 0.80 -2.62 -0.83 5.41 0.00 -1.26 -4.63 120.51 117.37 2afp n ALA 59 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2afp n ALA 59 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.11 2afp n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2afp n GLY 60 N -1.72 1.14 3.93 0.00 0.00 -1.26 -3.57 105.19 103.71 2afp n GLY 60 Ca -0.13 -0.58 -0.26 0.00 0.00 0.00 0.00 46.02 45.05 2afp n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2afp s VAL 61 N 0.00 3.40 -0.39 1.61 1.01 -1.26 -4.47 120.40 120.29 2afp s VAL 61 Ca 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.86 2afp s VAL 61 Cb 0.00 -3.35 0.12 0.00 0.00 0.00 0.00 36.38 33.14 2afp s VAL 61 CO 0.00 -0.35 0.15 -0.69 0.00 0.00 0.00 175.10 174.22 2afp s VAL 62 N -2.97 1.64 0.79 2.92 1.01 -1.26 -3.79 120.40 118.74 2afp s VAL 62 Ca 0.55 -2.29 -0.15 0.00 0.00 0.00 0.00 61.98 60.09 2afp s VAL 62 Cb -0.10 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.10 2afp s VAL 62 CO 0.44 -0.75 0.76 0.79 0.00 0.00 0.00 175.10 176.34 2afp n TRP 63 N 4.03 -0.11 0.00 5.22 7.02 -1.26 -4.66 117.44 127.68 2afp n TRP 63 Ca 0.04 0.35 0.00 0.00 -1.02 0.00 0.00 57.50 56.87 2afp n TRP 63 Cb 0.38 -1.97 0.00 0.00 -2.42 0.00 0.00 31.31 27.30 2afp n TRP 63 CO 0.00 0.00 0.00 1.51 -2.02 0.00 0.00 177.69 177.18 2afp n ILE 64 N -2.86 0.00 -0.71 -0.99 3.06 -1.26 -4.43 119.36 112.17 2afp n ILE 64 Ca 0.11 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.36 2afp n ILE 64 Cb 0.51 -0.46 0.00 0.00 0.54 0.00 0.00 39.64 40.22 2afp n ILE 64 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2afp n GLY 65 N 2.05 0.17 0.09 4.50 0.00 -1.26 -4.59 105.19 106.15 2afp n GLY 65 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.72 2afp n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2afp n GLY 66 N 0.00 -3.31 3.22 -0.02 0.00 -1.21 -3.85 105.19 100.01 2afp n GLY 66 Ca 0.00 -1.00 -0.10 0.00 0.00 0.00 0.00 46.02 44.92 2afp n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2afp s SER 67 N -1.33 -0.21 -0.29 1.61 1.04 -1.25 -4.01 113.70 109.26 2afp s SER 67 Ca 0.00 0.89 -0.06 0.00 0.48 0.00 0.00 55.95 57.25 2afp s SER 67 Cb 0.00 1.08 0.15 0.00 0.10 0.00 0.00 66.02 67.35 2afp s SER 67 CO 0.00 -0.22 0.61 0.00 0.98 0.00 0.00 173.24 174.61 2afp s ALA 68 N 2.27 -2.04 -0.12 5.32 0.00 -1.09 -4.64 121.76 121.45 2afp s ALA 68 Ca -0.03 2.08 0.17 0.00 0.00 0.00 0.00 51.96 54.18 2afp s ALA 68 Cb -0.11 -1.89 0.42 0.00 0.00 0.00 0.00 23.12 21.54 2afp s ALA 68 CO -0.12 -1.07 1.20 0.00 0.00 0.00 0.00 175.76 175.77 2afp n LEU 70 N -0.44 0.24 -4.07 0.00 0.00 -1.26 -5.01 117.00 106.45 2afp n LEU 70 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 56.01 56.05 2afp n LEU 70 Cb 0.88 0.00 -0.09 0.00 0.00 0.00 0.00 43.42 44.21 2afp n LEU 70 CO -0.04 -0.16 -0.23 -1.10 0.00 0.00 0.00 177.39 175.87 2afp s GLN 71 N -1.93 0.92 -0.50 1.96 -1.52 -1.26 -4.99 119.66 112.34 2afp s GLN 71 Ca 0.00 -1.30 0.03 0.00 -1.95 0.00 0.00 55.36 52.13 2afp s GLN 71 Cb 0.00 0.28 0.62 0.00 -0.22 0.00 0.00 33.01 33.68 2afp s GLN 71 CO 0.00 -0.27 1.94 0.00 -0.25 0.00 0.00 175.29 176.71 2afp n ALA 72 N -0.08 5.76 -2.06 6.09 0.00 -1.26 -4.20 120.51 124.76 2afp n ALA 72 Ca -0.08 -3.01 -0.03 0.00 0.00 0.00 0.00 53.44 50.32 2afp n ALA 72 Cb 0.63 -1.52 -0.00 0.00 0.00 0.00 0.00 19.45 18.55 2afp n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2afp n GLY 73 N -1.08 0.33 2.28 0.00 0.00 -1.26 -5.02 105.19 100.44 2afp n GLY 73 Ca 0.60 -0.03 -0.18 0.00 0.00 0.00 0.00 46.02 46.41 2afp n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2afp n ALA 74 N -0.30 1.60 -3.00 4.61 0.00 -1.26 -5.10 120.51 117.06 2afp n ALA 74 Ca -0.15 -3.06 0.00 0.00 0.00 0.00 0.00 53.44 50.23 2afp n ALA 74 Cb 0.58 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 19.09 2afp n ALA 74 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 2afp n TRP 75 N 0.66 -0.19 -4.01 0.00 4.27 -1.26 -4.86 117.44 112.05 2afp n TRP 75 Ca 0.21 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.70 2afp n TRP 75 Cb 0.63 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.55 2afp n TRP 75 CO 0.00 0.00 0.00 0.25 -2.29 0.00 0.00 177.69 175.65 2afp n THR 76 N 0.00 0.00 -0.29 -1.67 -2.24 -1.26 -5.09 114.28 103.73 2afp n THR 76 Ca 0.00 -1.46 0.00 0.00 -2.27 0.00 0.00 64.05 60.32 2afp n THR 76 Cb 0.00 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 2afp n THR 76 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 2afp n TRP 77 N -0.44 -0.59 -0.15 4.78 -0.00 -1.26 -3.94 117.44 115.83 2afp n TRP 77 Ca 0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 57.46 2afp n TRP 77 Cb 0.44 0.00 0.04 0.00 -0.00 0.00 0.00 31.31 31.79 2afp n TRP 77 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 2afp h SER 78 N 0.00 0.40 -0.04 5.87 4.64 -1.81 -3.21 113.55 119.39 2afp h SER 78 Ca 0.00 0.02 -0.16 0.00 -0.47 0.00 0.00 61.79 61.18 2afp h SER 78 Cb 0.00 -0.06 -0.20 0.00 -0.31 0.00 0.00 62.40 61.83 2afp h SER 78 CO 0.00 0.28 -0.46 -0.67 -0.87 0.00 0.00 176.83 175.11 2afp n ASP 79 N -4.86 -0.63 -0.10 4.97 -0.08 -1.26 -4.58 116.55 110.00 2afp n ASP 79 Ca 0.03 -2.07 0.00 0.00 -1.51 0.00 0.00 54.79 51.24 2afp n ASP 79 Cb 0.10 0.27 0.00 0.00 2.34 0.00 0.00 41.12 43.83 2afp n ASP 79 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2afp n GLY 80 N -0.49 -2.85 3.64 0.27 0.00 -1.26 -5.14 105.19 99.37 2afp n GLY 80 Ca -0.17 -0.97 -0.02 0.00 0.00 0.00 0.00 46.02 44.85 2afp n GLY 80 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2afp s THR 81 N -0.69 0.00 -0.20 2.61 -1.32 -1.26 -4.98 115.64 109.80 2afp s THR 81 Ca 0.00 0.00 -0.00 0.00 -1.21 0.00 0.00 61.69 60.48 2afp s THR 81 Cb 0.00 -1.00 0.14 0.00 -1.51 0.00 0.00 72.50 70.13 2afp s THR 81 CO 0.00 0.00 1.95 -0.81 -2.21 0.00 0.00 174.62 173.55 2afp n PRO 82 N 0.60 1.50 -2.42 7.08 -0.04 -1.26 -4.91 135.00 135.56 2afp n PRO 82 Ca -0.01 -0.98 -0.01 0.00 -0.04 0.00 0.00 63.50 62.45 2afp n PRO 82 Cb 0.59 -1.39 -0.01 0.00 -0.04 0.00 0.00 33.50 32.65 2afp n PRO 82 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2afp n MET 83 N 0.71 -4.83 -4.46 0.54 2.81 -1.26 -5.05 117.12 105.59 2afp n MET 83 Ca 0.19 3.53 -0.24 0.00 -1.81 0.00 0.00 57.70 59.37 2afp n MET 83 Cb 0.57 -4.60 -0.10 0.00 -0.71 0.00 0.00 33.22 28.38 2afp n MET 83 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2afp s ASN 84 N -0.58 3.64 -0.32 7.83 2.20 -1.26 -4.92 114.94 121.52 2afp s ASN 84 Ca -0.07 -0.99 -0.03 0.00 -0.94 0.00 0.00 52.86 50.83 2afp s ASN 84 Cb 0.00 -0.33 0.00 0.00 -2.00 0.00 0.00 41.25 38.93 2afp s ASN 84 CO 0.19 0.04 0.09 0.49 -2.94 0.00 0.00 177.10 174.97 2afp n PHE 85 N -0.57 -3.89 -2.46 1.54 3.01 -1.26 -5.07 117.46 108.76 2afp n PHE 85 Ca -0.06 1.70 0.00 0.00 1.01 0.00 0.00 57.45 60.11 2afp n PHE 85 Cb 0.60 -4.00 0.00 0.00 -0.01 0.00 0.00 39.48 36.07 2afp n PHE 85 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2afp n ARG 86 N 0.56 3.93 0.00 -1.08 1.74 -1.26 -4.84 116.66 115.71 2afp n ARG 86 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 2afp n ARG 86 Cb 0.08 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.52 2afp n ARG 86 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2afp n SER 87 N 0.00 0.00 -3.13 0.55 2.88 -1.26 -5.04 113.62 107.62 2afp n SER 87 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2afp n SER 87 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2afp n SER 87 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 2afp n TRP 88 N -2.00 -1.52 -0.11 0.66 4.27 -1.26 -4.97 117.44 112.50 2afp n TRP 88 Ca 0.00 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.47 2afp n TRP 88 Cb 0.00 0.00 0.13 0.00 -1.36 0.00 0.00 31.31 30.08 2afp n TRP 88 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2afp s SER 90 N -2.44 3.34 0.08 0.00 0.01 -1.26 -4.96 113.70 108.47 2afp s SER 90 Ca 0.30 -1.09 -0.26 0.00 1.31 0.00 0.00 55.95 56.21 2afp s SER 90 Cb -0.05 -0.74 0.08 0.00 0.21 0.00 0.00 66.02 65.51 2afp s SER 90 CO 0.25 -0.33 0.67 -0.89 0.41 0.00 0.00 173.24 173.36 2afp s THR 91 N 1.74 0.00 0.00 1.44 2.01 -1.26 -5.06 115.64 114.50 2afp s THR 91 Ca 0.01 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.01 2afp s THR 91 Cb -0.17 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.34 2afp s THR 91 CO -0.13 0.00 0.00 1.17 -0.69 0.00 0.00 174.62 174.97 2afp n LYS 92 N -0.03 0.00 -1.70 4.92 4.81 -1.26 -4.97 118.16 119.93 2afp n LYS 92 Ca -0.16 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 56.88 2afp n LYS 92 Cb 0.62 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.66 2afp n LYS 92 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2afp n PRO 93 N 0.00 3.96 -1.21 1.64 -0.04 -1.26 -3.91 135.00 134.18 2afp n PRO 93 Ca 0.00 -2.83 -0.04 0.00 -0.04 0.00 0.00 63.50 60.59 2afp n PRO 93 Cb 0.00 -2.79 -0.01 0.00 -0.04 0.00 0.00 33.50 30.65 2afp n PRO 93 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2afp n ASP 94 N 3.13 -0.78 0.00 3.54 8.00 -1.26 -5.05 116.55 124.14 2afp n ASP 94 Ca 0.67 -1.50 0.00 0.00 0.71 0.00 0.00 54.79 54.66 2afp n ASP 94 Cb 0.26 0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 2afp n ASP 94 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2afp n ASP 95 N -0.27 0.00 0.00 -2.24 8.00 -1.25 -4.98 116.55 115.81 2afp n ASP 95 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 2afp n ASP 95 Cb 0.61 0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.86 2afp n ASP 95 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2afp n VAL 96 N -1.51 0.00 0.11 2.53 0.31 -1.26 -2.05 118.33 116.45 2afp n VAL 96 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 2afp n VAL 96 Cb 0.00 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 32.95 2afp n VAL 96 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2afp h LEU 97 N 0.00 0.00 -0.09 7.52 7.12 -1.94 -3.10 115.31 124.82 2afp h LEU 97 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2afp h LEU 97 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 2afp h LEU 97 CO 0.00 0.74 0.00 0.00 -0.13 0.00 0.00 178.44 179.05 2afp n ALA 98 N -2.33 1.54 -3.52 1.25 0.00 -0.87 -4.60 120.51 111.98 2afp n ALA 98 Ca 0.00 -0.02 -0.16 0.00 0.00 0.00 0.00 53.44 53.26 2afp n ALA 98 Cb 0.78 -1.21 -0.16 0.00 0.00 0.00 0.00 19.45 18.86 2afp n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2afp s ALA 99 N -3.04 0.28 0.03 0.00 0.00 -1.17 -3.44 121.76 114.42 2afp s ALA 99 Ca 0.05 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.13 2afp s ALA 99 Cb 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.94 2afp s ALA 99 CO 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 175.76 175.95 2afp n MET 102 N 4.97 2.34 0.00 0.00 1.56 -1.25 -2.49 117.12 122.25 2afp n MET 102 Ca 0.19 0.85 0.00 0.00 -0.27 0.00 0.00 57.70 58.47 2afp n MET 102 Cb 0.47 -2.69 0.00 0.00 2.15 0.00 0.00 33.22 33.16 2afp n MET 102 CO 0.00 0.00 0.00 0.94 -0.73 0.00 0.00 175.97 176.18 2afp n GLN 103 N 5.38 1.16 -0.40 2.12 0.00 -1.18 -4.33 117.38 120.13 2afp n GLN 103 Ca 0.20 0.00 0.04 0.00 -0.00 0.00 0.00 57.00 57.23 2afp n GLN 103 Cb 0.31 0.00 0.06 0.00 0.00 0.00 0.00 30.24 30.61 2afp n GLN 103 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 2afp n MET 104 N 0.00 0.49 -3.55 3.69 2.81 -1.26 -3.48 117.12 115.82 2afp n MET 104 Ca 0.00 -1.66 -0.18 0.00 -1.81 0.00 0.00 57.70 54.05 2afp n MET 104 Cb 0.00 -0.86 -0.04 0.00 -0.71 0.00 0.00 33.22 31.61 2afp n MET 104 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 2afp n THR 105 N -0.51 -0.67 0.00 2.03 5.66 -1.26 -0.45 114.28 119.08 2afp n THR 105 Ca 0.06 -0.28 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 2afp n THR 105 Cb 0.70 -0.64 0.00 0.00 -1.55 0.00 0.00 70.33 68.84 2afp n THR 105 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2afp n ALA 106 N -2.99 0.00 -0.30 1.79 0.00 -1.26 -4.54 120.51 113.21 2afp n ALA 106 Ca -0.16 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.30 2afp n ALA 106 Cb 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.81 2afp n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2afp n ALA 107 N 0.00 -0.41 0.00 0.00 0.00 0.40 -4.80 120.51 115.70 2afp n ALA 107 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2afp n ALA 107 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.31 2afp n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2afp n ALA 108 N -0.57 0.00 -0.38 0.00 0.00 -1.26 -2.57 120.51 115.72 2afp n ALA 108 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2afp n ALA 108 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 2afp n ALA 108 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2afp n ASP 109 N 2.48 1.00 0.00 0.00 9.92 -1.26 -4.70 116.55 123.99 2afp n ASP 109 Ca 0.00 -1.38 0.00 0.00 -0.53 0.00 0.00 54.79 52.88 2afp n ASP 109 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2afp n ASP 109 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2afp n GLN 110 N -0.19 0.27 0.00 -1.24 3.00 -1.06 -5.14 117.38 113.02 2afp n GLN 110 Ca 0.00 -0.46 0.00 0.00 -0.01 0.00 0.00 57.00 56.53 2afp n GLN 110 Cb 0.25 -0.65 0.00 0.00 0.00 0.00 0.00 30.24 29.84 2afp n GLN 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2afp s TRP 112 N 0.00 3.50 0.00 0.00 0.52 -1.26 -3.24 118.94 118.47 2afp s TRP 112 Ca 0.00 0.73 0.00 0.00 0.02 0.00 0.00 56.10 56.85 2afp s TRP 112 Cb 0.00 -2.34 0.00 0.00 -1.15 0.00 0.00 33.47 29.98 2afp s TRP 112 CO 0.00 -0.33 0.00 -3.47 0.02 0.00 0.00 176.95 173.17 2afp n ASP 113 N -2.27 0.00 -4.78 2.95 2.03 -1.23 -4.64 116.55 108.62 2afp n ASP 113 Ca 0.01 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.91 2afp n ASP 113 Cb 0.56 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.95 2afp n ASP 113 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2afp s ASP 114 N 0.00 6.44 0.11 1.67 1.11 -1.26 -3.12 116.67 121.62 2afp s ASP 114 Ca 0.00 2.93 0.09 0.00 0.18 0.00 0.00 52.55 55.74 2afp s ASP 114 Cb 0.00 -2.66 -0.04 0.00 1.07 0.00 0.00 42.92 41.29 2afp s ASP 114 CO 0.00 -0.79 -0.17 -0.76 1.18 0.00 0.00 175.17 174.63 2afp s LEU 115 N -2.06 2.77 0.01 1.23 1.02 -1.04 -4.80 118.68 115.81 2afp s LEU 115 Ca 0.52 -0.53 0.21 0.00 0.02 0.00 0.00 54.13 54.36 2afp s LEU 115 Cb -0.44 -1.60 0.89 0.00 0.02 0.00 0.00 46.19 45.06 2afp s LEU 115 CO 0.59 0.18 1.67 -0.81 0.02 0.00 0.00 176.35 178.00 2afp n PRO 116 N 0.78 0.01 0.00 1.29 -0.04 -1.22 1.00 135.00 136.81 2afp n PRO 116 Ca -0.15 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2afp n PRO 116 Cb 0.53 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 2afp n PRO 116 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2afp n PRO 118 N 0.00 3.08 -2.71 0.00 -0.04 -1.26 -4.47 135.00 129.60 2afp n PRO 118 Ca 0.00 -3.03 -0.07 0.00 -0.04 0.00 0.00 63.50 60.36 2afp n PRO 118 Cb 0.00 -3.39 0.04 0.00 -0.04 0.00 0.00 33.50 30.11 2afp n PRO 118 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2afp n ALA 119 N 7.29 3.14 -1.02 0.55 0.00 -1.26 -5.07 120.51 124.14 2afp n ALA 119 Ca 0.50 -2.97 -0.14 0.00 0.00 0.00 0.00 53.44 50.83 2afp n ALA 119 Cb 0.43 -0.92 -0.14 0.00 0.00 0.00 0.00 19.45 18.81 2afp n ALA 119 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2afp n SER 120 N -0.23 -1.08 -4.38 0.00 3.41 -1.26 -4.70 113.62 105.37 2afp n SER 120 Ca 0.08 -0.45 -0.28 0.00 -0.26 0.00 0.00 58.87 57.95 2afp n SER 120 Cb 0.82 -0.38 -0.05 0.00 -0.26 0.00 0.00 64.21 64.33 2afp n SER 120 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2afp n HIS 121 N 3.80 0.85 -1.35 7.33 8.25 -1.17 -4.07 115.22 128.87 2afp n HIS 121 Ca 0.43 -2.20 -0.38 0.00 -0.26 0.00 0.00 57.72 55.30 2afp n HIS 121 Cb 0.13 -0.31 0.03 0.00 1.12 0.00 0.00 29.99 30.95 2afp n HIS 121 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2afp n LYS 122 N -1.18 0.25 -4.07 -0.41 0.00 -1.23 0.55 118.16 112.07 2afp n LYS 122 Ca -0.17 0.10 -0.30 0.00 0.00 0.00 0.00 58.31 57.94 2afp n LYS 122 Cb 0.57 -1.36 -0.07 0.00 0.00 0.00 0.00 35.03 34.17 2afp n LYS 122 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2afp s SER 123 N -1.10 5.42 -0.11 3.14 0.15 -1.26 -4.46 113.70 115.48 2afp s SER 123 Ca 0.63 -0.05 0.01 0.00 0.70 0.00 0.00 55.95 57.23 2afp s SER 123 Cb -0.46 -1.42 0.02 0.00 -1.71 0.00 0.00 66.02 62.45 2afp s SER 123 CO 0.60 0.17 -0.11 0.54 1.20 0.00 0.00 173.24 175.64 2afp s VAL 124 N -1.39 1.23 -0.04 4.45 0.11 -1.26 -2.79 120.40 120.71 2afp s VAL 124 Ca 0.29 -0.46 0.03 0.00 -2.93 0.00 0.00 61.98 58.90 2afp s VAL 124 Cb -0.12 -1.18 0.01 0.00 -1.53 0.00 0.00 36.38 33.56 2afp s VAL 124 CO 0.21 0.39 -0.11 0.00 -3.33 0.00 0.00 175.10 172.27 2afp s ALA 126 N 0.32 1.46 0.06 0.00 0.00 -0.56 0.11 121.76 123.14 2afp s ALA 126 Ca -0.06 -1.52 -0.11 0.00 0.00 0.00 0.00 51.96 50.26 2afp s ALA 126 Cb -0.11 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.14 2afp s ALA 126 CO 0.02 -0.13 0.25 -1.64 0.00 0.00 0.00 175.76 174.25 2afp s MET 127 N -3.77 0.81 0.29 0.00 -1.94 0.41 -3.61 119.30 111.48 2afp s MET 127 Ca 0.18 -0.67 -0.07 0.00 -1.71 0.00 0.00 55.69 53.42 2afp s MET 127 Cb 0.03 0.34 -0.00 0.00 2.01 0.00 0.00 34.83 37.21 2afp s MET 127 CO 0.01 -0.26 0.45 -0.08 -0.01 0.00 0.00 175.02 175.14 2afp s THR 128 N -2.99 0.00 -0.01 2.05 -1.32 -1.26 -2.59 115.64 109.52 2afp s THR 128 Ca -0.02 -1.54 0.00 0.00 -1.21 0.00 0.00 61.69 58.92 2afp s THR 128 Cb 0.01 -2.46 0.00 0.00 -1.51 0.00 0.00 72.50 68.54 2afp s THR 128 CO -0.06 0.00 0.50 2.22 -2.21 0.00 0.00 174.62 175.07