#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2afp n ARG 2 N 0.00 2.25 -3.43 3.69 1.74 -1.26 -4.97 116.66 114.68 2afp n ARG 2 Ca 0.00 -3.40 -0.42 0.00 -0.77 0.00 0.00 57.85 53.26 2afp n ARG 2 Cb 0.00 -1.95 -0.10 0.00 -1.02 0.00 0.00 32.46 29.40 2afp n ARG 2 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2afp s ALA 3 N -3.38 3.48 0.00 7.54 0.00 -1.26 -4.88 121.76 123.26 2afp s ALA 3 Ca 0.48 -1.44 0.00 0.00 0.00 0.00 0.00 51.96 50.99 2afp s ALA 3 Cb 0.42 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.68 2afp s ALA 3 CO 0.00 -1.26 0.00 0.41 0.00 0.00 0.00 175.76 174.91 2afp n GLY 4 N 5.08 -0.17 3.74 0.00 0.00 -1.26 -5.15 105.19 107.42 2afp n GLY 4 Ca -0.10 0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.98 2afp n GLY 4 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2afp s PRO 5 N 0.00 4.63 -0.18 1.61 0.04 -1.26 -5.05 135.00 134.78 2afp s PRO 5 Ca 0.00 1.29 -0.09 0.00 0.04 0.00 0.00 61.00 62.24 2afp s PRO 5 Cb 0.00 -3.35 -0.05 0.00 0.04 0.00 0.00 34.50 31.14 2afp s PRO 5 CO 0.00 0.30 0.11 -0.80 0.04 0.00 0.00 177.00 176.65 2afp s ASN 6 N -0.24 6.05 -0.39 6.66 -0.87 -1.26 -5.02 114.94 119.87 2afp s ASN 6 Ca 0.42 0.22 0.10 0.00 -1.57 0.00 0.00 52.86 52.03 2afp s ASN 6 Cb -0.23 -2.04 0.30 0.00 -0.02 0.00 0.00 41.25 39.27 2afp s ASN 6 CO 0.27 0.21 0.63 0.00 -2.57 0.00 0.00 177.10 175.64 2afp s PRO 8 N -1.83 3.95 -1.62 0.00 0.04 -1.26 -4.20 135.00 130.08 2afp s PRO 8 Ca 0.38 -2.01 -0.03 0.00 0.04 0.00 0.00 61.00 59.38 2afp s PRO 8 Cb 0.26 -5.39 0.00 0.00 0.04 0.00 0.00 34.50 29.41 2afp s PRO 8 CO -0.09 -2.13 0.34 0.00 0.04 0.00 0.00 177.00 175.15 2afp n ALA 9 N 7.80 -0.80 0.06 8.56 0.00 -1.26 -4.88 120.51 129.99 2afp n ALA 9 Ca 0.43 0.23 -0.08 0.00 0.00 0.00 0.00 53.44 54.03 2afp n ALA 9 Cb 0.46 -3.11 -0.12 0.00 0.00 0.00 0.00 19.45 16.67 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 -0.77 0.02 0.00 0.00 0.00 -1.94 -3.39 103.07 96.98 2afp h GLY 10 Ca -0.51 -0.06 -0.18 0.00 0.00 0.00 0.00 47.33 46.59 2afp h GLY 10 CO 0.57 0.05 -1.49 0.79 0.00 0.00 0.00 176.54 176.46 2afp n TRP 11 N -3.34 0.19 -4.37 5.60 7.02 -1.26 -5.06 117.44 116.23 2afp n TRP 11 Ca -0.02 0.08 -0.21 0.00 -1.02 0.00 0.00 57.50 56.34 2afp n TRP 11 Cb 0.96 -0.75 -0.09 0.00 -2.42 0.00 0.00 31.31 29.01 2afp n TRP 11 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 2afp s GLN 12 N -2.65 1.71 0.00 -0.99 -0.21 -0.79 -4.57 119.66 112.16 2afp s GLN 12 Ca -0.31 -2.00 0.30 0.00 0.02 0.00 0.00 55.36 53.38 2afp s GLN 12 Cb 0.08 -0.12 1.50 0.00 1.00 0.00 0.00 33.01 35.46 2afp s GLN 12 CO 0.44 -0.50 2.04 -0.35 -2.12 0.00 0.00 175.29 174.79 2afp n PRO 13 N -0.67 0.48 -1.81 2.91 -0.04 -1.26 -4.24 135.00 130.37 2afp n PRO 13 Ca 0.01 -0.03 -0.38 0.00 -0.04 0.00 0.00 63.50 63.06 2afp n PRO 13 Cb 0.64 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.65 2afp n PRO 13 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2afp s LEU 14 N -2.54 3.79 -0.72 1.53 1.43 -1.26 -4.95 118.68 115.96 2afp s LEU 14 Ca 0.29 2.70 0.03 0.00 -1.03 0.00 0.00 54.13 56.12 2afp s LEU 14 Cb 0.20 -4.36 0.33 0.00 0.03 0.00 0.00 46.19 42.39 2afp s LEU 14 CO 0.46 -1.63 1.20 0.61 0.23 0.00 0.00 176.35 177.22 2afp n GLY 15 N 0.73 5.73 0.58 -3.19 0.00 -1.26 -4.52 105.19 103.26 2afp n GLY 15 Ca 0.11 -2.73 0.00 0.00 0.00 0.00 0.00 46.02 43.41 2afp n GLY 15 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2afp n ASP 16 N -0.12 0.00 -0.15 1.61 2.03 -1.26 -5.15 116.55 113.51 2afp n ASP 16 Ca 0.35 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.66 2afp n ASP 16 Cb 0.35 0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 2afp n ASP 16 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2afp n ARG 17 N -1.79 0.14 -3.99 -0.67 1.74 -1.26 -4.91 116.66 105.91 2afp n ARG 17 Ca 0.00 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.92 2afp n ARG 17 Cb 0.00 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.28 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 0.64 0.08 0.41 0.00 2.07 -1.26 0.14 121.20 123.28 2afp s ILE 19 Ca -0.06 -0.90 0.05 0.00 -1.41 0.00 0.00 60.65 58.32 2afp s ILE 19 Cb -0.10 -1.37 -0.02 0.00 0.13 0.00 0.00 42.46 41.10 2afp s ILE 19 CO -0.01 -0.39 0.16 -0.31 -1.91 0.00 0.00 174.94 172.49 2afp s TYR 20 N -3.85 1.78 0.01 3.50 2.02 0.22 -1.88 117.35 119.14 2afp s TYR 20 Ca 0.06 -1.39 -0.28 0.00 -0.37 0.00 0.00 57.07 55.10 2afp s TYR 20 Cb 0.03 -1.09 0.10 0.00 -0.40 0.00 0.00 41.96 40.60 2afp s TYR 20 CO -0.09 -0.42 0.85 -0.47 -1.57 0.00 0.00 175.55 173.85 2afp s TYR 21 N -3.21 -0.39 0.16 2.71 5.04 -1.26 -3.94 117.35 116.47 2afp s TYR 21 Ca 0.25 0.29 -0.01 0.00 -2.44 0.00 0.00 57.07 55.16 2afp s TYR 21 Cb 0.02 0.53 -0.04 0.00 0.35 0.00 0.00 41.96 42.82 2afp s TYR 21 CO 0.17 -0.58 0.08 -1.21 -1.34 0.00 0.00 175.55 172.67 2afp s GLU 22 N -3.01 1.06 -0.00 4.97 0.41 -1.14 -5.02 118.70 115.96 2afp s GLU 22 Ca 0.03 -1.53 0.26 0.00 -0.41 0.00 0.00 54.97 53.32 2afp s GLU 22 Cb -0.01 0.21 0.43 0.00 -1.78 0.00 0.00 34.13 32.98 2afp s GLU 22 CO -0.08 -0.31 1.17 0.25 -0.49 0.00 0.00 175.26 175.80 2afp n THR 23 N -0.18 0.02 -4.31 3.63 -2.24 -1.26 -4.49 114.28 105.45 2afp n THR 23 Ca -0.02 -1.03 -0.20 0.00 -2.27 0.00 0.00 64.05 60.53 2afp n THR 23 Cb 0.65 1.00 -0.13 0.00 -2.10 0.00 0.00 70.33 69.75 2afp n THR 23 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2afp s THR 24 N -0.07 1.18 -0.84 4.28 -1.32 -1.26 -4.99 115.64 112.63 2afp s THR 24 Ca 0.34 -1.15 -0.26 0.00 -1.21 0.00 0.00 61.69 59.41 2afp s THR 24 Cb 0.39 -1.09 -0.12 0.00 -1.51 0.00 0.00 72.50 70.17 2afp s THR 24 CO -0.17 -0.06 2.28 0.00 -2.21 0.00 0.00 174.62 174.46 2afp s ALA 25 N -1.00 0.92 -0.31 11.08 0.00 -1.26 -2.97 121.76 128.22 2afp s ALA 25 Ca 0.01 -1.02 -0.02 0.00 0.00 0.00 0.00 51.96 50.93 2afp s ALA 25 Cb -0.09 -4.58 0.10 0.00 0.00 0.00 0.00 23.12 18.55 2afp s ALA 25 CO 0.02 -5.70 0.11 0.00 0.00 0.00 0.00 175.76 170.19 2afp s MET 26 N 8.39 0.56 1.12 0.00 0.00 -1.26 -4.66 119.30 123.46 2afp s MET 26 Ca 0.86 -0.93 -0.18 0.00 0.00 0.00 0.00 55.69 55.44 2afp s MET 26 Cb -0.11 -1.73 0.26 0.00 0.00 0.00 0.00 34.83 33.25 2afp s MET 26 CO 0.06 -1.00 1.18 0.99 0.00 0.00 0.00 175.02 176.25 2afp s THR 27 N 1.74 1.73 0.09 3.16 2.01 -1.26 -4.07 115.64 119.03 2afp s THR 27 Ca 0.10 0.00 -0.11 0.00 0.31 0.00 0.00 61.69 61.99 2afp s THR 27 Cb -0.17 -2.66 0.04 0.00 0.01 0.00 0.00 72.50 69.72 2afp s THR 27 CO -0.28 0.00 0.69 1.87 -0.69 0.00 0.00 174.62 176.21 2afp n TRP 28 N -4.44 -0.09 -0.13 4.92 -0.00 -1.26 0.11 117.44 116.56 2afp n TRP 28 Ca 0.14 0.56 -0.04 0.00 -0.00 0.00 0.00 57.50 58.15 2afp n TRP 28 Cb 0.59 -0.60 0.04 0.00 -0.00 0.00 0.00 31.31 31.34 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 0.43 0.47 -0.10 5.87 0.00 -1.90 0.98 119.26 125.00 2afp h ALA 29 Ca 0.12 0.08 -0.22 0.00 0.00 0.00 0.00 54.91 54.89 2afp h ALA 29 Cb 0.23 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.13 2afp h ALA 29 CO -0.43 -0.31 -0.83 -0.07 0.00 0.00 0.00 179.25 177.61 2afp h LEU 30 N 0.23 0.81 0.39 0.00 3.38 0.51 -2.95 115.31 117.69 2afp h LEU 30 Ca 0.21 -0.56 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 2afp h LEU 30 Cb 0.25 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2afp h LEU 30 CO -0.26 1.35 -0.19 0.00 0.09 0.00 0.00 178.44 179.43 2afp h ALA 31 N 0.63 -0.76 -1.01 1.53 0.00 0.11 -2.95 119.26 116.80 2afp h ALA 31 Ca -0.06 -0.12 0.27 0.00 0.00 0.00 0.00 54.91 55.00 2afp h ALA 31 Cb 1.45 0.21 -0.13 0.00 0.00 0.00 0.00 17.79 19.31 2afp h ALA 31 CO 0.16 -0.73 0.59 1.49 0.00 0.00 0.00 179.25 180.77 2afp h GLU 32 N -0.77 0.47 0.57 0.00 4.81 0.85 0.84 114.58 121.36 2afp h GLU 32 Ca -0.05 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 2afp h GLU 32 Cb 0.41 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.68 2afp h GLU 32 CO 0.09 0.31 -0.28 1.15 -0.73 0.00 0.00 179.01 179.55 2afp h THR 33 N 0.49 0.00 -0.71 0.32 2.02 -1.57 0.84 112.91 114.31 2afp h THR 33 Ca 0.68 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.83 2afp h THR 33 Cb 1.40 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 2afp h THR 33 CO -0.51 0.00 0.34 -1.13 0.37 0.00 0.00 175.52 174.59 2afp h ASN 34 N -0.77 0.90 0.73 4.18 -0.73 -1.22 0.10 115.58 118.77 2afp h ASN 34 Ca -0.08 -0.09 -0.04 0.00 1.87 0.00 0.00 56.30 57.96 2afp h ASN 34 Cb 0.59 -0.23 0.01 0.00 0.27 0.00 0.00 38.32 38.96 2afp h ASN 34 CO 0.12 0.76 -0.35 0.00 -0.37 0.00 0.00 177.43 177.59 2afp h MET 36 N -1.19 0.42 -0.10 0.00 1.85 0.75 0.15 114.93 116.80 2afp h MET 36 Ca -0.10 -0.03 0.03 0.00 -0.61 0.00 0.00 59.70 58.99 2afp h MET 36 Cb 0.75 -0.09 -0.00 0.00 0.43 0.00 0.00 31.60 32.68 2afp h MET 36 CO 0.16 0.28 0.13 -0.22 -0.40 0.00 0.00 176.91 176.86 2afp h LYS 37 N 0.43 0.00 0.03 0.39 1.63 -0.85 -1.22 116.57 116.99 2afp h LYS 37 Ca 0.17 0.00 -0.32 0.00 -0.85 0.00 0.00 60.65 59.66 2afp h LYS 37 Cb 0.07 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.65 2afp h LYS 37 CO -0.11 0.00 -1.83 -0.11 -3.45 0.00 0.00 179.45 173.94 2afp n LEU 38 N -3.70 1.34 0.00 5.20 7.94 -0.42 -5.06 117.00 122.30 2afp n LEU 38 Ca -0.00 0.33 0.00 0.00 -1.11 0.00 0.00 56.01 55.23 2afp n LEU 38 Cb 0.23 -0.18 0.00 0.00 0.53 0.00 0.00 43.42 44.00 2afp n LEU 38 CO 0.26 0.53 0.00 0.61 -1.11 0.00 0.00 177.39 177.68 2afp n GLY 39 N 1.70 2.40 0.00 -3.96 0.00 0.39 -5.10 105.19 100.61 2afp n GLY 39 Ca -0.22 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 0.98 0.46 3.42 -0.02 0.00 -1.26 -4.90 105.19 103.87 2afp n GLY 40 Ca 0.00 -0.93 0.04 0.00 0.00 0.00 0.00 46.02 45.13 2afp n GLY 40 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2afp n HIS 41 N 0.00 -0.06 -0.34 1.61 1.44 -1.25 -4.79 115.22 111.82 2afp n HIS 41 Ca 0.00 -0.45 -0.30 0.00 -2.01 0.00 0.00 57.72 54.96 2afp n HIS 41 Cb 0.00 0.19 0.29 0.00 0.12 0.00 0.00 29.99 30.59 2afp n HIS 41 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2afp s LEU 42 N 0.00 -0.90 -0.91 2.39 1.02 -1.26 -3.11 118.68 115.91 2afp s LEU 42 Ca 0.27 1.00 -0.26 0.00 0.02 0.00 0.00 54.13 55.17 2afp s LEU 42 Cb -0.00 -2.49 -0.15 0.00 0.02 0.00 0.00 46.19 43.57 2afp s LEU 42 CO -0.02 -5.27 2.23 0.00 0.02 0.00 0.00 176.35 173.31 2afp s ALA 43 N -2.25 0.84 -1.04 4.21 0.00 0.75 -3.95 121.76 120.32 2afp s ALA 43 Ca 0.68 -1.18 -0.10 0.00 0.00 0.00 0.00 51.96 51.36 2afp s ALA 43 Cb -0.16 -4.62 0.26 0.00 0.00 0.00 0.00 23.12 18.61 2afp s ALA 43 CO 0.60 -6.00 1.03 0.45 0.00 0.00 0.00 175.76 171.83 2afp s SER 44 N 9.53 7.19 0.18 0.00 0.15 -1.26 -4.95 113.70 124.53 2afp s SER 44 Ca 0.85 -3.38 0.04 0.00 0.70 0.00 0.00 55.95 54.15 2afp s SER 44 Cb -0.09 -2.21 -0.05 0.00 -1.71 0.00 0.00 66.02 61.96 2afp s SER 44 CO 0.10 -0.35 -0.06 -0.63 1.20 0.00 0.00 173.24 173.49 2afp s ILE 45 N -0.93 1.09 -0.01 6.45 1.09 -1.26 -5.02 121.20 122.62 2afp s ILE 45 Ca 0.28 -2.05 0.01 0.00 -1.10 0.00 0.00 60.65 57.79 2afp s ILE 45 Cb -0.10 -2.06 -0.02 0.00 -1.06 0.00 0.00 42.46 39.23 2afp s ILE 45 CO -0.08 -0.57 0.00 1.57 -0.10 0.00 0.00 174.94 175.76 2afp n HIS 46 N -0.29 0.00 -1.69 3.97 -0.00 -1.26 -4.68 115.22 111.27 2afp n HIS 46 Ca -0.08 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.68 2afp n HIS 46 Cb 0.62 -0.07 -0.03 0.00 -0.12 0.00 0.00 29.99 30.39 2afp n HIS 46 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 2afp s SER 47 N -3.40 6.46 0.51 0.26 0.01 -1.26 -4.85 113.70 111.42 2afp s SER 47 Ca -0.01 2.66 0.18 0.00 1.31 0.00 0.00 55.95 60.09 2afp s SER 47 Cb 0.00 -2.53 1.28 0.00 0.21 0.00 0.00 66.02 64.98 2afp s SER 47 CO 0.05 -1.04 2.11 0.06 0.41 0.00 0.00 173.24 174.83 2afp h GLN 48 N 10.37 0.00 -0.29 12.44 3.07 -2.01 -1.14 115.11 137.55 2afp h GLN 48 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.25 2afp h GLN 48 Cb 1.23 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.78 2afp h GLN 48 CO 0.94 0.06 0.19 1.49 0.09 0.00 0.00 178.83 181.60 2afp h GLU 49 N 0.00 0.39 -0.13 0.06 4.22 -2.00 0.20 114.58 117.31 2afp h GLU 49 Ca -0.00 -0.02 -0.07 0.00 0.08 0.00 0.00 59.36 59.34 2afp h GLU 49 Cb 0.11 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2afp h GLU 49 CO 0.01 0.26 -0.24 0.93 -2.18 0.00 0.00 179.01 177.79 2afp h GLU 50 N 0.40 0.24 -0.62 1.92 4.39 -1.58 -1.58 114.58 117.75 2afp h GLU 50 Ca 0.11 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 2afp h GLU 50 Cb -0.04 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 2afp h GLU 50 CO -0.02 0.47 0.24 1.25 -1.16 0.00 0.00 179.01 179.79 2afp h HIS 51 N 0.22 0.95 -0.94 4.33 2.76 -0.63 -1.74 115.15 120.11 2afp h HIS 51 Ca 0.04 -0.08 0.10 0.00 -2.20 0.00 0.00 60.37 58.23 2afp h HIS 51 Cb 0.55 -0.28 -0.07 0.00 1.55 0.00 0.00 27.41 29.16 2afp h HIS 51 CO 0.01 0.76 0.60 0.77 -1.30 0.00 0.00 177.93 178.77 2afp h SER 52 N 0.87 0.86 -0.16 3.26 0.02 -0.56 0.10 113.55 117.94 2afp h SER 52 Ca 0.20 0.03 0.05 0.00 -0.84 0.00 0.00 61.79 61.23 2afp h SER 52 Cb 0.22 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 2afp h SER 52 CO -0.01 0.50 0.27 0.15 -1.14 0.00 0.00 176.83 176.59 2afp h PHE 53 N 0.95 0.00 0.06 3.45 3.57 -0.69 0.93 116.94 125.21 2afp h PHE 53 Ca 0.44 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.93 2afp h PHE 53 Cb 0.40 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.14 2afp h PHE 53 CO -0.00 0.00 -0.03 0.82 -2.23 0.00 0.00 178.31 176.87 2afp h ILE 54 N 0.00 0.29 0.08 1.41 2.04 -0.78 -3.28 117.51 117.26 2afp h ILE 54 Ca 0.08 -1.14 -0.11 0.00 1.00 0.00 0.00 64.86 64.69 2afp h ILE 54 Cb 0.61 0.53 0.01 0.00 -0.74 0.00 0.00 36.82 37.23 2afp h ILE 54 CO -0.00 0.09 -0.48 1.56 0.00 0.00 0.00 178.15 179.32 2afp h GLN 55 N -1.01 0.19 -0.48 2.37 7.50 -1.43 -2.02 115.11 120.23 2afp h GLN 55 Ca -0.01 -0.31 0.14 0.00 0.50 0.00 0.00 58.65 58.97 2afp h GLN 55 Cb 0.21 0.11 -0.02 0.00 0.05 0.00 0.00 27.48 27.84 2afp h GLN 55 CO 0.01 1.13 0.50 1.15 -1.50 0.00 0.00 178.83 180.12 2afp h THR 56 N -0.59 0.37 0.00 -0.54 2.02 0.67 -3.25 112.91 111.58 2afp h THR 56 Ca -0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.10 2afp h THR 56 Cb 1.36 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 2afp h THR 56 CO 0.09 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.16 2afp n LEU 57 N -3.74 0.43 0.00 2.58 7.99 -1.24 -5.03 117.00 117.99 2afp n LEU 57 Ca 0.09 0.02 0.00 0.00 -0.01 0.00 0.00 56.01 56.11 2afp n LEU 57 Cb 0.69 -0.10 0.00 0.00 -0.11 0.00 0.00 43.42 43.90 2afp n LEU 57 CO 0.28 -0.10 0.00 -0.46 -1.51 0.00 0.00 177.39 175.60 2afp n ASN 58 N -1.54 0.00 -3.74 -1.43 2.04 -0.78 -5.09 115.26 104.73 2afp n ASN 58 Ca 0.00 0.00 -0.10 0.00 -0.44 0.00 0.00 54.58 54.04 2afp n ASN 58 Cb 0.00 0.00 -0.05 0.00 -2.53 0.00 0.00 39.78 37.20 2afp n ASN 58 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2afp s ALA 59 N 0.00 -0.71 0.00 -2.53 0.00 -1.12 -4.96 121.76 112.44 2afp s ALA 59 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.66 2afp s ALA 59 Cb 0.00 0.76 0.00 0.00 0.00 0.00 0.00 23.12 23.88 2afp s ALA 59 CO 0.00 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 175.49 2afp n GLY 60 N -0.25 0.95 3.12 0.00 0.00 -1.26 -4.91 105.19 102.84 2afp n GLY 60 Ca -0.12 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 2afp n GLY 60 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2afp n VAL 61 N 0.00 0.00 -3.51 1.61 3.14 -0.96 -4.67 118.33 113.94 2afp n VAL 61 Ca 0.00 -1.19 -0.27 0.00 -2.96 0.00 0.00 64.34 59.92 2afp n VAL 61 Cb 0.00 -1.08 -0.10 0.00 -1.06 0.00 0.00 33.84 31.60 2afp n VAL 61 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 2afp n VAL 62 N -2.71 0.41 -1.72 1.55 0.31 -1.23 -4.57 118.33 110.37 2afp n VAL 62 Ca 0.13 -4.31 -0.41 0.00 -0.01 0.00 0.00 64.34 59.74 2afp n VAL 62 Cb 0.47 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.45 2afp n VAL 62 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 2afp n TRP 63 N 1.92 2.40 0.00 3.52 5.03 -1.26 -3.80 117.44 125.24 2afp n TRP 63 Ca 0.25 0.50 0.00 0.00 3.03 0.00 0.00 57.50 61.29 2afp n TRP 63 Cb 0.44 -2.43 0.00 0.00 -1.03 0.00 0.00 31.31 28.29 2afp n TRP 63 CO 0.00 0.00 0.00 1.51 -0.03 0.00 0.00 177.69 179.17 2afp n ILE 64 N 0.11 0.00 -1.61 -0.99 0.13 -1.25 -4.28 119.36 111.46 2afp n ILE 64 Ca 0.05 0.00 -0.41 0.00 -1.10 0.00 0.00 62.75 61.29 2afp n ILE 64 Cb 0.38 -0.03 0.01 0.00 -0.84 0.00 0.00 39.64 39.17 2afp n ILE 64 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2afp n GLY 65 N -1.06 -0.18 0.00 4.50 0.00 -0.20 -1.56 105.19 106.70 2afp n GLY 65 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 1.17 -2.57 3.41 -0.02 0.00 -0.85 -4.56 105.19 101.77 2afp n GLY 66 Ca 0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 46.02 45.80 2afp n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2afp s SER 67 N -1.82 -1.02 -0.24 1.61 0.15 -1.26 -4.62 113.70 106.50 2afp s SER 67 Ca 0.00 1.22 -0.13 0.00 0.70 0.00 0.00 55.95 57.75 2afp s SER 67 Cb 0.00 2.08 0.08 0.00 -1.71 0.00 0.00 66.02 66.46 2afp s SER 67 CO 0.00 -0.24 0.58 0.00 1.20 0.00 0.00 173.24 174.78 2afp s ALA 68 N 2.83 -1.58 -0.13 5.45 0.00 -0.98 -4.78 121.76 122.57 2afp s ALA 68 Ca 0.03 2.07 0.05 0.00 0.00 0.00 0.00 51.96 54.12 2afp s ALA 68 Cb -0.13 -1.30 0.16 0.00 0.00 0.00 0.00 23.12 21.85 2afp s ALA 68 CO -0.19 -0.42 1.07 0.00 0.00 0.00 0.00 175.76 176.23 2afp n LEU 70 N -0.61 0.98 0.00 0.00 7.99 -1.26 -4.89 117.00 119.21 2afp n LEU 70 Ca -0.19 0.00 -0.22 0.00 -0.01 0.00 0.00 56.01 55.59 2afp n LEU 70 Cb 0.71 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.96 2afp n LEU 70 CO -0.12 0.07 -0.14 0.00 -1.51 0.00 0.00 177.39 175.69 2afp n GLN 71 N -2.37 0.63 -3.89 3.23 6.02 -1.26 -5.12 117.38 114.61 2afp n GLN 71 Ca 0.00 -3.04 -0.35 0.00 -0.01 0.00 0.00 57.00 53.60 2afp n GLN 71 Cb 0.28 1.64 -0.14 0.00 1.02 0.00 0.00 30.24 33.04 2afp n GLN 71 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2afp s ALA 72 N -2.97 2.82 -0.05 -1.58 0.00 -1.26 -4.65 121.76 114.07 2afp s ALA 72 Ca 0.18 -1.42 -0.00 0.00 0.00 0.00 0.00 51.96 50.71 2afp s ALA 72 Cb 0.01 -1.83 -0.00 0.00 0.00 0.00 0.00 23.12 21.30 2afp s ALA 72 CO 0.13 -0.80 0.05 0.41 0.00 0.00 0.00 175.76 175.54 2afp n GLY 73 N 4.74 0.64 2.53 0.00 0.00 -1.26 -5.04 105.19 106.80 2afp n GLY 73 Ca -0.16 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.40 0.17 -3.00 4.61 0.00 -1.26 -5.13 120.51 114.50 2afp n ALA 74 Ca -0.01 -2.19 0.00 0.00 0.00 0.00 0.00 53.44 51.24 2afp n ALA 74 Cb 0.51 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 1.04 -0.17 -3.98 0.00 4.27 -1.26 -4.93 117.44 112.41 2afp n TRP 75 Ca 0.14 0.00 -0.11 0.00 -3.89 0.00 0.00 57.50 53.64 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 -2.60 -1.67 -2.24 -1.26 -5.07 114.28 101.43 2afp n THR 76 Ca 0.00 -1.31 0.00 0.00 -2.27 0.00 0.00 64.05 60.47 2afp n THR 76 Cb 0.00 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 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 -0.39 -3.18 0.13 4.78 -0.00 -1.26 -2.01 117.44 115.50 2afp n TRP 77 Ca 0.02 0.00 0.19 0.00 -0.00 0.00 0.00 57.50 57.71 2afp n TRP 77 Cb 0.39 0.00 0.75 0.00 -0.00 0.00 0.00 31.31 32.45 2afp n TRP 77 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 177.69 178.46 2afp h SER 78 N 0.00 0.00 0.00 5.87 0.02 -1.56 -3.08 113.55 114.80 2afp h SER 78 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2afp h SER 78 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2afp h SER 78 CO 0.00 0.00 -0.39 -0.67 -1.14 0.00 0.00 176.83 174.63 2afp n ASP 79 N -3.57 1.93 0.00 3.07 2.03 -1.26 -4.67 116.55 114.08 2afp n ASP 79 Ca 0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.37 2afp n ASP 79 Cb 0.59 0.33 0.00 0.00 -0.72 0.00 0.00 41.12 41.32 2afp n ASP 79 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2afp n GLY 80 N 1.10 2.26 0.13 0.27 0.00 -1.16 -4.78 105.19 103.00 2afp n GLY 80 Ca 0.00 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.22 2afp n GLY 80 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2afp h THR 81 N 0.00 0.83 -3.16 2.61 2.02 -1.99 -3.38 112.91 109.84 2afp h THR 81 Ca 0.00 -0.05 -0.56 0.00 0.77 0.00 0.00 66.41 66.56 2afp h THR 81 Cb 0.00 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 2afp h THR 81 CO 0.00 0.01 0.67 -2.16 0.37 0.00 0.00 175.52 174.41 2afp s PRO 82 N -6.05 4.35 -0.46 6.66 0.04 -1.26 -4.97 135.00 133.31 2afp s PRO 82 Ca -0.14 1.43 0.06 0.00 0.04 0.00 0.00 61.00 62.39 2afp s PRO 82 Cb 0.05 -3.59 0.20 0.00 0.04 0.00 0.00 34.50 31.20 2afp s PRO 82 CO 0.65 -0.45 0.59 -1.33 0.04 0.00 0.00 177.00 176.50 2afp n MET 83 N 5.52 0.47 0.00 4.56 2.81 -1.26 -4.58 117.12 124.64 2afp n MET 83 Ca 0.10 -2.52 0.00 0.00 -1.81 0.00 0.00 57.70 53.48 2afp n MET 83 Cb 0.47 -1.51 0.00 0.00 -0.71 0.00 0.00 33.22 31.47 2afp n MET 83 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 2afp n ASN 84 N 2.56 0.00 -0.57 7.83 0.23 -1.26 -5.12 115.26 118.92 2afp n ASN 84 Ca 0.21 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.26 2afp n ASN 84 Cb 0.54 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.24 2afp n ASN 84 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 2afp n PHE 85 N -0.40 -1.53 -2.75 -2.53 3.01 -1.26 -4.55 117.46 107.46 2afp n PHE 85 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 2afp n PHE 85 Cb 0.00 0.19 -0.03 0.00 -0.01 0.00 0.00 39.48 39.63 2afp n PHE 85 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2afp s ARG 86 N 0.00 4.42 -0.85 -1.08 1.81 -1.26 -4.98 118.95 117.02 2afp s ARG 86 Ca 0.00 1.30 0.01 0.00 -1.72 0.00 0.00 55.73 55.32 2afp s ARG 86 Cb 0.00 -3.53 0.29 0.00 -0.45 0.00 0.00 34.95 31.26 2afp s ARG 86 CO 0.00 -0.25 1.16 -1.13 -0.68 0.00 0.00 175.30 174.40 2afp n SER 87 N 4.78 5.23 -0.23 0.23 3.41 -1.26 -4.84 113.62 120.93 2afp n SER 87 Ca 0.07 -3.47 -0.06 0.00 -0.26 0.00 0.00 58.87 55.15 2afp n SER 87 Cb 0.49 -0.95 0.04 0.00 -0.26 0.00 0.00 64.21 63.53 2afp n SER 87 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 2afp h TRP 88 N 4.62 0.87 -3.65 7.33 4.06 -1.93 -3.46 115.95 123.78 2afp h TRP 88 Ca 0.22 -0.01 -0.06 0.00 2.06 0.00 0.00 58.89 61.10 2afp h TRP 88 Cb 0.60 -0.28 -0.09 0.00 -1.00 0.00 0.00 29.16 28.39 2afp h TRP 88 CO 0.90 0.60 -0.12 0.00 -3.56 0.00 0.00 178.44 176.26 2afp n SER 90 N -0.38 -0.44 -4.09 0.00 7.64 -1.26 -4.66 113.62 110.43 2afp n SER 90 Ca -0.02 -1.17 -0.36 0.00 1.01 0.00 0.00 58.87 58.33 2afp n SER 90 Cb 0.62 0.19 -0.08 0.00 -1.01 0.00 0.00 64.21 63.93 2afp n SER 90 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2afp s THR 91 N 0.03 4.06 -0.40 0.44 2.01 -1.26 -4.94 115.64 115.58 2afp s THR 91 Ca 0.02 -3.58 0.05 0.00 0.31 0.00 0.00 61.69 58.49 2afp s THR 91 Cb 0.10 -3.57 0.17 0.00 0.01 0.00 0.00 72.50 69.21 2afp s THR 91 CO -0.03 -1.01 0.51 -0.54 -0.69 0.00 0.00 174.62 172.85 2afp s LYS 92 N -0.92 0.77 0.24 4.92 1.02 -1.26 -5.00 119.74 119.51 2afp s LYS 92 Ca 0.24 -0.74 0.15 0.00 0.02 0.00 0.00 55.97 55.64 2afp s LYS 92 Cb -0.11 -0.39 0.02 0.00 -0.52 0.00 0.00 37.83 36.83 2afp s LYS 92 CO -0.10 -1.22 1.34 -1.00 -0.92 0.00 0.00 175.35 173.45 2afp h PRO 93 N 6.72 0.00 -2.03 -1.68 0.13 -2.08 -3.34 132.00 129.73 2afp h PRO 93 Ca 0.07 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.62 2afp h PRO 93 Cb 1.10 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.03 2afp h PRO 93 CO 0.15 0.48 0.64 -3.47 -0.23 0.00 0.00 178.00 175.57 2afp n ASP 94 N -3.17 6.80 -3.26 1.44 2.03 -1.26 -4.67 116.55 114.46 2afp n ASP 94 Ca 0.00 -3.36 -0.08 0.00 0.52 0.00 0.00 54.79 51.87 2afp n ASP 94 Cb 0.76 -1.20 -0.04 0.00 -0.72 0.00 0.00 41.12 39.92 2afp n ASP 94 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2afp s ASP 95 N -0.02 -0.23 0.04 1.67 1.01 -1.25 -4.98 116.67 112.91 2afp s ASP 95 Ca 0.57 -1.26 0.00 0.00 0.71 0.00 0.00 52.55 52.57 2afp s ASP 95 Cb 0.39 1.26 0.00 0.00 1.01 0.00 0.00 42.92 45.58 2afp s ASP 95 CO -0.26 -0.20 0.00 0.52 0.21 0.00 0.00 175.17 175.43 2afp n VAL 96 N 4.21 0.36 0.13 -1.27 0.31 -1.26 -4.76 118.33 116.05 2afp n VAL 96 Ca 0.12 0.12 -0.00 0.00 -0.01 0.00 0.00 64.34 64.57 2afp n VAL 96 Cb 0.51 -1.09 0.07 0.00 -0.91 0.00 0.00 33.84 32.43 2afp n VAL 96 CO 0.00 0.00 0.00 0.17 -1.32 0.00 0.00 176.83 175.68 2afp h LEU 97 N 0.00 0.00 -1.93 7.52 -0.00 -1.91 -3.10 115.31 115.89 2afp h LEU 97 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2afp h LEU 97 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2afp h LEU 97 CO 0.00 0.64 0.00 0.00 -0.00 0.00 0.00 178.44 179.08 2afp h ALA 98 N 1.36 1.00 -3.75 0.17 0.00 -1.93 -3.42 119.26 112.70 2afp h ALA 98 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.62 2afp h ALA 98 Cb 1.35 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.85 2afp h ALA 98 CO 0.08 0.00 -0.74 0.00 0.00 0.00 0.00 179.25 178.60 2afp s ALA 99 N -3.77 0.20 -0.00 0.00 0.00 -1.17 -4.42 121.76 112.59 2afp s ALA 99 Ca -0.02 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 51.91 2afp s ALA 99 Cb 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 2afp s ALA 99 CO 0.37 0.02 0.01 0.00 0.00 0.00 0.00 175.76 176.17 2afp s MET 102 N 1.79 3.95 0.29 0.00 1.00 -1.26 -2.75 119.30 122.31 2afp s MET 102 Ca 0.03 0.80 0.05 0.00 0.00 0.00 0.00 55.69 56.58 2afp s MET 102 Cb -0.13 -3.77 -0.02 0.00 0.00 0.00 0.00 34.83 30.92 2afp s MET 102 CO -0.05 -0.92 0.18 0.00 0.00 0.00 0.00 175.02 174.23 2afp n GLN 103 N 6.81 0.44 -3.84 2.03 10.64 -1.13 -1.04 117.38 131.29 2afp n GLN 103 Ca 0.09 -2.69 -0.33 0.00 -1.83 0.00 0.00 57.00 52.25 2afp n GLN 103 Cb 0.48 1.93 -0.12 0.00 -0.86 0.00 0.00 30.24 31.66 2afp n GLN 103 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.06 176.64 2afp s MET 104 N -3.14 2.32 0.33 2.61 -2.45 -1.25 -2.38 119.30 115.34 2afp s MET 104 Ca 0.26 -2.68 0.27 0.00 -1.25 0.00 0.00 55.69 52.29 2afp s MET 104 Cb 0.01 -3.52 1.08 0.00 1.25 0.00 0.00 34.83 33.65 2afp s MET 104 CO 0.18 -1.16 1.07 2.41 1.05 0.00 0.00 175.02 178.58 2afp n THR 105 N 3.13 -0.11 -2.38 10.11 -1.04 -1.26 -3.49 114.28 119.23 2afp n THR 105 Ca 0.08 1.17 -0.04 0.00 -2.04 0.00 0.00 64.05 63.22 2afp n THR 105 Cb 0.35 -1.92 0.01 0.00 -1.82 0.00 0.00 70.33 66.94 2afp n THR 105 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2afp n ALA 106 N -2.58 -0.16 0.36 2.41 0.00 -1.26 -4.35 120.51 114.92 2afp n ALA 106 Ca 0.29 0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.89 2afp n ALA 106 Cb 1.18 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 19.56 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 -2.06 3.07 0.00 0.00 0.00 -1.26 -4.96 120.51 115.30 2afp n ALA 107 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2afp n ALA 107 Cb 0.52 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 -1.99 0.00 -0.00 0.00 0.00 -1.26 -4.50 120.51 112.76 2afp n ALA 108 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2afp n ALA 108 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 2afp n ALA 108 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2afp n ASP 109 N 0.68 1.26 0.06 0.00 2.03 -1.26 -4.60 116.55 114.73 2afp n ASP 109 Ca 0.00 -1.27 -0.09 0.00 0.52 0.00 0.00 54.79 53.95 2afp n ASP 109 Cb 0.00 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.43 2afp n ASP 109 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2afp h GLN 110 N 0.00 0.36 -0.01 -0.67 1.08 -1.95 -3.50 115.11 110.42 2afp h GLN 110 Ca 0.00 -0.30 0.00 0.00 -1.45 0.00 0.00 58.65 56.90 2afp h GLN 110 Cb 0.13 0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.63 2afp h GLN 110 CO 0.00 0.95 -0.00 0.00 -0.95 0.00 0.00 178.83 178.83 2afp s TRP 112 N -1.71 3.02 0.00 0.00 -0.00 -1.26 -4.00 118.94 115.00 2afp s TRP 112 Ca 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 56.10 55.87 2afp s TRP 112 Cb 0.00 -1.76 0.00 0.00 -0.00 0.00 0.00 33.47 31.71 2afp s TRP 112 CO 0.00 0.22 0.00 -3.47 -0.00 0.00 0.00 176.95 173.70 2afp n ASP 113 N -1.40 -0.54 -1.46 5.86 -0.08 -1.00 -4.50 116.55 113.42 2afp n ASP 113 Ca -0.03 0.00 0.18 0.00 -1.51 0.00 0.00 54.79 53.43 2afp n ASP 113 Cb 0.59 0.80 -0.09 0.00 2.34 0.00 0.00 41.12 44.76 2afp n ASP 113 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2afp n ASP 114 N -0.93 -8.24 0.00 1.67 8.00 -1.26 -4.58 116.55 111.21 2afp n ASP 114 Ca 0.00 1.34 0.00 0.00 0.71 0.00 0.00 54.79 56.84 2afp n ASP 114 Cb 0.00 -4.94 0.00 0.00 -0.02 0.00 0.00 41.12 36.16 2afp n ASP 114 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2afp n LEU 115 N -4.37 0.00 -4.64 0.64 7.99 -1.11 -2.86 117.00 112.65 2afp n LEU 115 Ca -0.08 0.00 -0.43 0.00 -0.01 0.00 0.00 56.01 55.50 2afp n LEU 115 Cb 0.69 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.98 2afp n LEU 115 CO 0.04 0.00 0.86 -2.16 -1.51 0.00 0.00 177.39 174.62 2afp s PRO 116 N -3.96 4.14 0.24 3.23 0.04 -1.26 -2.04 135.00 135.38 2afp s PRO 116 Ca 0.00 1.10 -0.14 0.00 0.04 0.00 0.00 61.00 62.01 2afp s PRO 116 Cb 0.00 -3.69 0.30 0.00 0.04 0.00 0.00 34.50 31.15 2afp s PRO 116 CO 0.00 -0.73 1.57 0.00 0.04 0.00 0.00 177.00 177.88 2afp s PRO 118 N -6.13 3.77 0.00 0.00 0.04 -1.26 -4.38 135.00 127.04 2afp s PRO 118 Ca -0.14 -1.78 0.00 0.00 0.04 0.00 0.00 61.00 59.11 2afp s PRO 118 Cb 0.22 -5.48 0.00 0.00 0.04 0.00 0.00 34.50 29.28 2afp s PRO 118 CO 0.74 -2.45 0.58 0.00 0.04 0.00 0.00 177.00 175.92 2afp n ALA 119 N 9.15 1.38 -1.64 8.56 0.00 -1.23 -5.10 120.51 131.63 2afp n ALA 119 Ca 0.46 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2afp n ALA 119 Cb 0.47 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.77 2afp n ALA 119 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2afp n SER 120 N 0.00 -3.72 -3.30 0.00 7.64 -1.26 -4.93 113.62 108.04 2afp n SER 120 Ca 0.00 0.41 -0.20 0.00 1.01 0.00 0.00 58.87 60.08 2afp n SER 120 Cb 0.56 -0.78 -0.08 0.00 -1.01 0.00 0.00 64.21 62.90 2afp n SER 120 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2afp s HIS 121 N -0.14 0.12 0.00 1.43 3.76 -1.26 -4.57 115.29 114.63 2afp s HIS 121 Ca 0.00 -1.40 0.00 0.00 -0.15 0.00 0.00 55.06 53.51 2afp s HIS 121 Cb 0.00 -0.55 0.00 0.00 1.11 0.00 0.00 32.58 33.14 2afp s HIS 121 CO 0.00 -0.95 0.00 1.63 -0.85 0.00 0.00 174.74 174.57 2afp n LYS 122 N 3.58 0.00 -3.63 1.40 4.01 -1.16 -2.27 118.16 120.09 2afp n LYS 122 Ca 0.18 0.00 -0.15 0.00 -0.51 0.00 0.00 58.31 57.84 2afp n LYS 122 Cb 0.46 0.00 -0.07 0.00 -0.51 0.00 0.00 35.03 34.91 2afp n LYS 122 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 2afp s SER 123 N -4.00 -0.63 -0.23 4.39 0.01 -1.26 -4.01 113.70 107.97 2afp s SER 123 Ca 0.00 1.04 -0.01 0.00 1.31 0.00 0.00 55.95 58.30 2afp s SER 123 Cb 0.00 1.03 0.07 0.00 0.21 0.00 0.00 66.02 67.32 2afp s SER 123 CO 0.00 -0.34 0.01 -0.69 0.41 0.00 0.00 173.24 172.63 2afp s VAL 124 N -0.19 1.07 -0.01 3.43 1.01 -1.26 -2.90 120.40 121.54 2afp s VAL 124 Ca -0.04 -1.04 0.08 0.00 0.00 0.00 0.00 61.98 60.98 2afp s VAL 124 Cb -0.03 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 2afp s VAL 124 CO 0.04 -0.25 -0.26 0.00 0.00 0.00 0.00 175.10 174.63 2afp s ALA 126 N -0.63 1.74 0.04 0.00 0.00 1.42 -0.61 121.76 123.71 2afp s ALA 126 Ca 0.10 -1.76 -0.06 0.00 0.00 0.00 0.00 51.96 50.24 2afp s ALA 126 Cb -0.10 0.59 -0.01 0.00 0.00 0.00 0.00 23.12 23.60 2afp s ALA 126 CO -0.01 -0.29 0.12 -1.64 0.00 0.00 0.00 175.76 173.94 2afp s MET 127 N -3.90 0.61 0.12 0.00 -1.94 0.38 -3.93 119.30 110.64 2afp s MET 127 Ca 0.29 -0.72 -0.11 0.00 -1.71 0.00 0.00 55.69 53.44 2afp s MET 127 Cb 0.06 0.24 0.01 0.00 2.01 0.00 0.00 34.83 37.15 2afp s MET 127 CO 0.09 -0.16 0.29 -0.08 -0.01 0.00 0.00 175.02 175.15 2afp s THR 128 N -2.58 0.10 0.00 2.05 -1.32 -1.26 -2.75 115.64 109.88 2afp s THR 128 Ca -0.05 -1.03 0.00 0.00 -1.21 0.00 0.00 61.69 59.40 2afp s THR 128 Cb -0.01 -1.41 0.00 0.00 -1.51 0.00 0.00 72.50 69.57 2afp s THR 128 CO -0.04 -0.45 0.00 2.22 -2.21 0.00 0.00 174.62 174.13