#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1afl s GLU 2 N 0.00 4.44 0.70 -1.58 2.12 -1.26 -5.04 118.70 118.08 1afl s GLU 2 Ca 0.00 1.14 -0.11 0.00 0.36 0.00 0.00 54.97 56.36 1afl s GLU 2 Cb 0.00 -3.49 0.01 0.00 0.26 0.00 0.00 34.13 30.91 1afl s GLU 2 CO 0.00 -0.12 1.07 0.95 -0.54 0.00 0.00 175.26 176.62 1afl s THR 3 N 1.36 3.81 0.23 -1.70 -4.23 -1.26 -4.84 115.64 109.01 1afl s THR 3 Ca 0.43 0.63 -0.07 0.00 -1.18 0.00 0.00 61.69 61.50 1afl s THR 3 Cb -0.18 -3.28 0.18 0.00 1.34 0.00 0.00 72.50 70.56 1afl s THR 3 CO 0.20 -0.73 1.83 0.00 -0.54 0.00 0.00 174.62 175.37 1afl h ALA 4 N -0.65 1.05 -0.71 3.99 0.00 -1.96 0.21 119.26 121.19 1afl h ALA 4 Ca -0.44 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 1afl h ALA 4 Cb 1.22 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1afl h ALA 4 CO 0.55 0.15 0.23 0.00 0.00 0.00 0.00 179.25 180.18 1afl h ALA 5 N 1.39 0.93 -0.43 0.00 0.00 -1.90 -1.97 119.26 117.27 1afl h ALA 5 Ca 0.34 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 1afl h ALA 5 Cb 0.20 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1afl h ALA 5 CO -0.19 0.61 -0.21 0.00 0.00 0.00 0.00 179.25 179.46 1afl h ALA 6 N 1.11 0.82 -0.81 0.00 0.00 -1.70 -2.35 119.26 116.33 1afl h ALA 6 Ca 0.23 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1afl h ALA 6 Cb 0.30 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1afl h ALA 6 CO -0.01 0.65 0.33 -0.22 0.00 0.00 0.00 179.25 180.00 1afl h LYS 7 N 0.75 1.20 -0.72 0.00 3.64 -0.76 -0.99 116.57 119.69 1afl h LYS 7 Ca 0.10 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 1afl h LYS 7 Cb 0.74 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 1afl h LYS 7 CO 0.06 0.96 0.36 0.35 -2.27 0.00 0.00 179.45 178.91 1afl h PHE 8 N 1.17 1.02 -0.61 1.91 3.57 -1.12 -0.20 116.94 122.67 1afl h PHE 8 Ca 0.27 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.67 1afl h PHE 8 Cb 0.20 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 1afl h PHE 8 CO 0.02 0.74 0.15 0.93 -2.23 0.00 0.00 178.31 177.92 1afl h GLU 9 N 1.00 0.98 -0.27 1.11 5.08 -0.94 -0.16 114.58 121.39 1afl h GLU 9 Ca 0.25 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1afl h GLU 9 Cb 0.09 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1afl h GLU 9 CO -0.03 0.90 -0.07 -0.09 -1.00 0.00 0.00 179.01 178.72 1afl h ARG 10 N 0.90 0.52 0.00 2.33 2.43 -0.91 -1.73 114.38 117.92 1afl h ARG 10 Ca 0.19 -0.20 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 1afl h ARG 10 Cb 0.35 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1afl h ARG 10 CO 0.00 0.73 -0.51 1.96 -1.51 0.00 0.00 179.97 180.65 1afl h GLN 11 N 0.27 0.00 0.00 0.20 4.20 -1.00 -3.42 115.11 115.36 1afl h GLN 11 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1afl h GLN 11 Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1afl h GLN 11 CO 0.03 0.51 -0.45 0.72 -0.67 0.00 0.00 178.83 178.97 1afl n HIS 12 N -3.25 0.00 -3.48 2.96 8.25 -0.08 -4.71 115.22 114.91 1afl n HIS 12 Ca 0.02 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.11 1afl n HIS 12 Cb 0.72 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.76 1afl n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1afl s MET 13 N -1.17 4.20 -0.44 -0.41 -1.94 -0.65 0.17 119.30 119.06 1afl s MET 13 Ca 0.00 0.10 0.05 0.00 -1.71 0.00 0.00 55.69 54.13 1afl s MET 13 Cb 0.00 -3.49 0.17 0.00 2.01 0.00 0.00 34.83 33.53 1afl s MET 13 CO 0.00 0.10 0.44 0.34 -0.01 0.00 0.00 175.02 175.88 1afl s ASP 14 N 0.79 0.68 0.31 3.03 2.15 -0.73 -4.84 116.67 118.07 1afl s ASP 14 Ca 0.17 -2.73 0.26 0.00 0.43 0.00 0.00 52.55 50.67 1afl s ASP 14 Cb -0.14 0.16 0.78 0.00 -0.30 0.00 0.00 42.92 43.42 1afl s ASP 14 CO 0.06 -0.14 1.74 0.28 -0.17 0.00 0.00 175.17 176.94 1afl h SER 15 N 5.48 0.00 0.34 -0.34 0.02 -1.75 -3.28 113.55 114.02 1afl h SER 15 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1afl h SER 15 Cb 0.96 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1afl h SER 15 CO 0.28 0.00 0.00 -1.20 -1.14 0.00 0.00 176.83 174.77 1afl n SER 16 N -2.56 0.14 -3.86 3.07 7.64 -1.26 -4.61 113.62 112.18 1afl n SER 16 Ca 0.04 0.55 -0.17 0.00 1.01 0.00 0.00 58.87 60.30 1afl n SER 16 Cb 0.41 -0.57 -0.16 0.00 -1.01 0.00 0.00 64.21 62.88 1afl n SER 16 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1afl s THR 17 N -3.09 0.28 0.36 0.44 2.01 -1.24 -5.04 115.64 109.36 1afl s THR 17 Ca 0.04 -0.02 0.15 0.00 0.31 0.00 0.00 61.69 62.17 1afl s THR 17 Cb 0.06 -0.33 0.12 0.00 0.01 0.00 0.00 72.50 72.37 1afl s THR 17 CO 0.20 0.15 1.85 -1.28 -0.69 0.00 0.00 174.62 174.85 1afl h SER 18 N 6.96 0.00 -1.73 3.53 0.87 -1.87 -3.43 113.55 117.88 1afl h SER 18 Ca -0.39 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.14 1afl h SER 18 Cb 1.15 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.11 1afl h SER 18 CO 0.48 0.33 0.01 0.00 -0.53 0.00 0.00 176.83 177.13 1afl n ALA 19 N -2.43 -0.22 -2.33 6.23 0.00 -1.26 -4.86 120.51 115.64 1afl n ALA 19 Ca -0.02 -0.30 -0.37 0.00 0.00 0.00 0.00 53.44 52.75 1afl n ALA 19 Cb 0.39 0.24 -0.03 0.00 0.00 0.00 0.00 19.45 20.04 1afl n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1afl s ALA 20 N -1.51 2.38 0.16 0.00 0.00 -1.26 -4.86 121.76 116.66 1afl s ALA 20 Ca 0.05 -1.51 -0.26 0.00 0.00 0.00 0.00 51.96 50.25 1afl s ALA 20 Cb -0.01 -4.41 0.02 0.00 0.00 0.00 0.00 23.12 18.72 1afl s ALA 20 CO 0.03 -3.85 1.58 0.66 0.00 0.00 0.00 175.76 174.18 1afl h SER 21 N 11.29 -1.32 -5.61 0.00 4.64 -1.97 -3.46 113.55 117.12 1afl h SER 21 Ca -0.05 0.21 -0.27 0.00 -0.47 0.00 0.00 61.79 61.20 1afl h SER 21 Cb 1.05 0.59 -0.13 0.00 -0.31 0.00 0.00 62.40 63.60 1afl h SER 21 CO 1.29 -0.35 -0.47 -0.94 -0.87 0.00 0.00 176.83 175.49 1afl s SER 22 N -5.06 0.56 0.60 4.97 1.04 -1.26 -5.02 113.70 109.53 1afl s SER 22 Ca -0.15 -1.42 0.37 0.00 0.48 0.00 0.00 55.95 55.23 1afl s SER 22 Cb 0.12 0.48 1.88 0.00 0.10 0.00 0.00 66.02 68.61 1afl s SER 22 CO 0.66 -0.99 2.19 0.77 0.98 0.00 0.00 173.24 176.85 1afl h SER 23 N 2.40 0.00 -0.05 7.02 4.64 -1.93 -1.46 113.55 124.17 1afl h SER 23 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1afl h SER 23 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1afl h SER 23 CO 0.45 0.02 0.00 -3.20 -0.87 0.00 0.00 176.83 173.23 1afl n ASN 24 N -3.21 2.57 -0.01 4.97 5.15 -1.26 -4.42 115.26 119.05 1afl n ASN 24 Ca -0.02 -1.85 -0.10 0.00 -0.60 0.00 0.00 54.58 52.01 1afl n ASN 24 Cb 0.18 -0.02 -0.03 0.00 -0.53 0.00 0.00 39.78 39.38 1afl n ASN 24 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1afl h TYR 25 N 3.97 -0.73 -0.84 1.20 5.03 -1.66 -2.57 116.97 121.37 1afl h TYR 25 Ca 0.00 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.33 1afl h TYR 25 Cb 0.85 0.35 -0.04 0.00 1.55 0.00 0.00 36.73 39.43 1afl h TYR 25 CO 0.02 -0.35 0.47 0.00 -1.32 0.00 0.00 178.16 176.98 1afl h ASN 27 N 1.16 0.97 -0.05 0.00 2.35 -1.78 0.63 115.58 118.86 1afl h ASN 27 Ca 0.30 -0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.82 1afl h ASN 27 Cb -0.00 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.12 1afl h ASN 27 CO -0.05 0.87 -0.20 1.56 -1.65 0.00 0.00 177.43 177.96 1afl h GLN 28 N 1.01 0.22 -0.35 0.81 4.20 -1.20 -3.21 115.11 116.59 1afl h GLN 28 Ca 0.24 -0.18 -0.06 0.00 0.06 0.00 0.00 58.65 58.71 1afl h GLN 28 Cb 0.20 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1afl h GLN 28 CO -0.02 0.82 0.00 0.52 -0.67 0.00 0.00 178.83 179.48 1afl h MET 29 N -0.32 0.62 -0.46 1.46 2.86 -0.86 -0.69 114.93 117.54 1afl h MET 29 Ca -0.01 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.41 1afl h MET 29 Cb 0.85 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.43 1afl h MET 29 CO 0.04 0.73 0.21 0.52 1.06 0.00 0.00 176.91 179.47 1afl h MET 30 N 0.43 0.65 0.13 1.72 2.86 -1.02 -1.81 114.93 117.89 1afl h MET 30 Ca 0.10 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1afl h MET 30 Cb 0.45 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1afl h MET 30 CO 0.02 0.52 -0.06 -0.22 1.06 0.00 0.00 176.91 178.23 1afl h LYS 31 N 0.65 -0.16 0.00 1.72 1.63 -1.52 -1.15 116.57 117.74 1afl h LYS 31 Ca 0.16 0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.93 1afl h LYS 31 Cb 0.09 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.75 1afl h LYS 31 CO -0.02 0.29 -0.19 0.66 -3.45 0.00 0.00 179.45 176.74 1afl h SER 32 N -0.73 0.00 -0.23 4.20 4.64 -0.96 -2.20 113.55 118.27 1afl h SER 32 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1afl h SER 32 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1afl h SER 32 CO 0.03 0.19 0.00 0.54 -0.87 0.00 0.00 176.83 176.72 1afl n ARG 33 N -3.88 1.71 -2.20 4.77 5.12 -0.70 -4.92 116.66 116.56 1afl n ARG 33 Ca -0.02 -1.09 -0.14 0.00 -1.93 0.00 0.00 57.85 54.68 1afl n ARG 33 Cb 0.28 -1.33 -0.01 0.00 -1.16 0.00 0.00 32.46 30.24 1afl n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1afl n ASN 34 N 0.33 -4.25 -0.31 0.55 3.02 -0.83 -4.82 115.26 108.96 1afl n ASN 34 Ca 0.14 0.01 0.14 0.00 -0.03 0.00 0.00 54.58 54.84 1afl n ASN 34 Cb 0.30 -3.40 0.56 0.00 -0.61 0.00 0.00 39.78 36.63 1afl n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1afl n LEU 35 N -1.94 1.03 -0.02 3.41 4.77 -0.44 -3.62 117.00 120.20 1afl n LEU 35 Ca -0.16 -0.30 0.01 0.00 -0.03 0.00 0.00 56.01 55.53 1afl n LEU 35 Cb 0.61 -0.06 0.02 0.00 -2.33 0.00 0.00 43.42 41.66 1afl n LEU 35 CO 0.19 0.18 0.48 0.35 -1.33 0.00 0.00 177.39 177.26 1afl n THR 36 N -0.34 0.99 -0.17 -5.08 -2.24 -1.23 -2.95 114.28 103.26 1afl n THR 36 Ca 0.17 -1.04 -0.11 0.00 -2.27 0.00 0.00 64.05 60.80 1afl n THR 36 Cb 0.31 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 1afl n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1afl h LYS 37 N 0.00 0.98 0.00 -0.78 3.64 -1.90 -3.27 116.57 115.24 1afl h LYS 37 Ca 0.00 -0.39 -0.11 0.00 -1.27 0.00 0.00 60.65 58.89 1afl h LYS 37 Cb 0.64 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 1afl h LYS 37 CO 0.00 1.06 -1.73 -0.25 -2.27 0.00 0.00 179.45 176.27 1afl n ASP 38 N -4.17 0.38 0.00 4.20 8.00 -1.26 -5.04 116.55 118.67 1afl n ASP 38 Ca 0.00 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.66 1afl n ASP 38 Cb 0.42 1.06 0.00 0.00 -0.02 0.00 0.00 41.12 42.58 1afl n ASP 38 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1afl n ARG 39 N -2.58 -2.64 -2.98 -1.24 1.85 -1.23 -5.11 116.66 102.72 1afl n ARG 39 Ca -0.10 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.33 1afl n ARG 39 Cb 0.74 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 32.09 1afl n ARG 39 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1afl s LYS 41 N 2.96 3.96 0.26 0.00 2.20 -1.15 -4.90 119.74 123.07 1afl s LYS 41 Ca 0.30 1.94 -0.02 0.00 -0.36 0.00 0.00 55.97 57.84 1afl s LYS 41 Cb -0.14 -4.02 0.48 0.00 -1.51 0.00 0.00 37.83 32.64 1afl s LYS 41 CO 0.15 -1.10 1.81 -1.00 -0.36 0.00 0.00 175.35 174.84 1afl h PRO 42 N 10.30 0.80 -3.60 4.03 0.13 -1.94 -3.44 132.00 138.27 1afl h PRO 42 Ca -0.37 -0.05 -0.15 0.00 -0.87 0.00 0.00 66.00 64.57 1afl h PRO 42 Cb 1.17 -0.18 -0.21 0.00 0.13 0.00 0.00 31.00 31.91 1afl h PRO 42 CO 0.98 0.53 -0.53 0.14 -0.23 0.00 0.00 178.00 178.88 1afl s VAL 43 N -5.99 0.09 -0.12 1.56 -7.23 -1.26 -0.62 120.40 106.82 1afl s VAL 43 Ca -0.12 -0.72 -0.30 0.00 -1.81 0.00 0.00 61.98 59.03 1afl s VAL 43 Cb 0.21 -0.40 0.08 0.00 0.56 0.00 0.00 36.38 36.84 1afl s VAL 43 CO 0.79 -0.40 0.76 0.21 -0.31 0.00 0.00 175.10 176.15 1afl s ASN 44 N -1.38 -0.61 -0.03 4.85 2.47 -0.89 -5.00 114.94 114.36 1afl s ASN 44 Ca -0.15 0.79 0.07 0.00 0.42 0.00 0.00 52.86 53.99 1afl s ASN 44 Cb -0.08 0.67 -0.01 0.00 -1.45 0.00 0.00 41.25 40.37 1afl s ASN 44 CO 0.01 -0.48 -0.24 -0.89 -3.72 0.00 0.00 177.10 171.78 1afl s THR 45 N -0.85 1.93 -0.05 -5.21 2.01 -1.26 -0.65 115.64 111.57 1afl s THR 45 Ca -0.07 -1.03 0.03 0.00 0.31 0.00 0.00 61.69 60.94 1afl s THR 45 Cb -0.01 -1.62 -0.03 0.00 0.01 0.00 0.00 72.50 70.86 1afl s THR 45 CO 0.06 0.54 -0.14 -0.36 -0.69 0.00 0.00 174.62 174.04 1afl s PHE 46 N -0.39 2.72 -0.20 4.92 0.08 -0.17 -4.41 117.98 120.54 1afl s PHE 46 Ca 0.04 -0.15 -0.05 0.00 0.12 0.00 0.00 56.93 56.89 1afl s PHE 46 Cb -0.11 -1.64 -0.02 0.00 -0.57 0.00 0.00 43.02 40.68 1afl s PHE 46 CO 0.01 0.20 0.00 0.08 -0.10 0.00 0.00 175.22 175.40 1afl s VAL 47 N -0.73 3.96 -1.06 -0.44 1.01 0.13 -0.66 120.40 122.61 1afl s VAL 47 Ca 0.11 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 1afl s VAL 47 Cb -0.11 -2.79 0.31 0.00 0.00 0.00 0.00 36.38 33.80 1afl s VAL 47 CO 0.01 0.43 1.61 1.41 0.00 0.00 0.00 175.10 178.55 1afl n HIS 48 N 4.24 2.41 -4.13 5.22 -0.00 0.10 -1.77 115.22 121.31 1afl n HIS 48 Ca -0.17 -2.56 -0.11 0.00 -0.00 0.00 0.00 57.72 54.88 1afl n HIS 48 Cb 0.52 -1.23 -0.09 0.00 -0.00 0.00 0.00 29.99 29.19 1afl n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1afl s GLU 49 N -3.36 1.18 0.73 -0.41 0.41 -1.26 -4.57 118.70 111.42 1afl s GLU 49 Ca 0.34 -1.47 -0.13 0.00 -0.41 0.00 0.00 54.97 53.30 1afl s GLU 49 Cb 0.10 0.31 0.04 0.00 -1.78 0.00 0.00 34.13 32.80 1afl s GLU 49 CO 0.02 -0.40 1.11 -1.54 -0.49 0.00 0.00 175.26 173.96 1afl s SER 50 N -3.09 4.62 0.29 -0.19 1.04 -1.26 -4.31 113.70 110.80 1afl s SER 50 Ca 0.30 1.97 -0.03 0.00 0.48 0.00 0.00 55.95 58.67 1afl s SER 50 Cb 0.05 -2.54 0.40 0.00 0.10 0.00 0.00 66.02 64.03 1afl s SER 50 CO 0.08 -1.96 1.93 0.25 0.98 0.00 0.00 173.24 174.52 1afl h LEU 51 N -0.62 0.95 -0.87 2.42 5.85 -1.99 -1.93 115.31 119.12 1afl h LEU 51 Ca -0.45 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.18 1afl h LEU 51 Cb 1.25 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 1afl h LEU 51 CO 0.52 0.73 0.40 0.00 -0.34 0.00 0.00 178.44 179.75 1afl h ALA 52 N 1.43 1.11 -0.55 1.25 0.00 -1.99 -0.71 119.26 119.81 1afl h ALA 52 Ca 0.29 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1afl h ALA 52 Cb -0.05 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 1afl h ALA 52 CO -0.05 0.67 -0.09 -0.44 0.00 0.00 0.00 179.25 179.33 1afl h ASP 53 N 1.21 1.03 0.09 0.00 5.19 -1.73 -2.28 116.42 119.92 1afl h ASP 53 Ca 0.29 -0.33 -0.19 0.00 -0.62 0.00 0.00 57.03 56.18 1afl h ASP 53 Cb 0.12 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 39.35 1afl h ASP 53 CO -0.04 1.13 -0.69 0.58 -3.12 0.00 0.00 179.24 177.10 1afl h VAL 54 N 0.92 1.34 -0.15 -1.35 2.07 -1.17 -3.11 116.25 114.79 1afl h VAL 54 Ca 0.15 -2.00 -0.07 0.00 0.82 0.00 0.00 66.70 65.60 1afl h VAL 54 Cb 0.66 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 1afl h VAL 54 CO 0.05 0.62 -0.20 1.56 0.02 0.00 0.00 177.57 179.61 1afl h GLN 55 N 0.39 0.25 0.00 1.57 4.20 -1.04 -2.31 115.11 118.17 1afl h GLN 55 Ca -0.02 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 1afl h GLN 55 Cb 1.27 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 29.02 1afl h GLN 55 CO 0.13 0.45 -0.04 0.00 -0.67 0.00 0.00 178.83 178.70 1afl h ALA 56 N 1.56 1.11 0.00 3.87 0.00 -1.34 -2.33 119.26 122.13 1afl h ALA 56 Ca 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1afl h ALA 56 Cb 0.50 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1afl h ALA 56 CO 0.03 0.05 -0.05 0.28 0.00 0.00 0.00 179.25 179.56 1afl h VAL 57 N 0.00 0.71 0.00 0.00 2.07 -1.46 -1.69 116.25 115.88 1afl h VAL 57 Ca -0.00 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1afl h VAL 57 Cb 0.25 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1afl h VAL 57 CO 0.00 0.05 0.00 0.00 0.02 0.00 0.00 177.57 177.65 1afl n SER 59 N -2.01 3.14 0.00 0.00 3.41 -0.63 -5.00 113.62 112.53 1afl n SER 59 Ca -0.00 -2.85 0.00 0.00 -0.26 0.00 0.00 58.87 55.76 1afl n SER 59 Cb 0.07 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 1afl n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1afl n GLN 60 N -0.69 1.86 -2.35 4.33 6.02 0.00 -5.00 117.38 121.55 1afl n GLN 60 Ca 0.17 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.73 1afl n GLN 60 Cb 0.71 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.95 1afl n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1afl s LYS 61 N 4.34 3.54 0.03 -1.09 2.20 -0.92 -4.85 119.74 122.99 1afl s LYS 61 Ca 0.00 0.88 -0.30 0.00 -0.36 0.00 0.00 55.97 56.19 1afl s LYS 61 Cb 0.00 -4.04 -0.06 0.00 -1.51 0.00 0.00 37.83 32.23 1afl s LYS 61 CO 0.00 -1.62 1.31 1.21 -0.36 0.00 0.00 175.35 175.89 1afl s ASN 62 N 4.02 6.94 0.12 1.43 3.04 -1.26 -0.06 114.94 129.18 1afl s ASN 62 Ca 0.60 2.08 0.00 0.00 0.04 0.00 0.00 52.86 55.58 1afl s ASN 62 Cb -0.13 -2.57 -0.04 0.00 -1.54 0.00 0.00 41.25 36.97 1afl s ASN 62 CO 0.32 -0.62 0.01 0.68 -3.04 0.00 0.00 177.10 174.45 1afl s VAL 63 N 1.76 0.35 0.27 -5.21 -7.23 -0.11 -4.92 120.40 105.31 1afl s VAL 63 Ca 0.61 -1.91 -0.29 0.00 -1.81 0.00 0.00 61.98 58.58 1afl s VAL 63 Cb -0.31 -1.91 -0.09 0.00 0.56 0.00 0.00 36.38 34.63 1afl s VAL 63 CO 0.27 -0.63 1.14 0.00 -0.31 0.00 0.00 175.10 175.56 1afl s ALA 64 N -3.86 3.42 0.63 1.32 0.00 -1.26 -3.36 121.76 118.64 1afl s ALA 64 Ca 0.19 0.94 -0.12 0.00 0.00 0.00 0.00 51.96 52.97 1afl s ALA 64 Cb 0.07 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 1afl s ALA 64 CO -0.01 -0.24 1.04 0.00 0.00 0.00 0.00 175.76 176.54 1afl h LYS 66 N -0.25 0.25 -0.02 0.00 1.57 -1.92 -0.27 116.57 115.93 1afl h LYS 66 Ca -0.44 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1afl h LYS 66 Cb 1.20 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1afl h LYS 66 CO 0.60 0.17 0.00 0.27 -0.57 0.00 0.00 179.45 179.92 1afl n ASN 67 N -4.47 0.47 0.00 0.86 6.94 -1.26 -4.91 115.26 112.90 1afl n ASN 67 Ca 0.06 -1.27 0.00 0.00 -0.02 0.00 0.00 54.58 53.35 1afl n ASN 67 Cb 0.32 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.73 1afl n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1afl n GLY 68 N 1.00 2.66 3.75 4.83 0.00 -0.11 -5.06 105.19 112.26 1afl n GLY 68 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 1afl n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1afl s GLN 69 N -0.86 2.01 0.00 1.61 -0.21 -1.26 -4.70 119.66 116.25 1afl s GLN 69 Ca 0.00 1.22 0.18 0.00 0.02 0.00 0.00 55.36 56.77 1afl s GLN 69 Cb 0.00 -1.87 0.37 0.00 1.00 0.00 0.00 33.01 32.52 1afl s GLN 69 CO 0.00 -1.83 1.29 0.25 -2.12 0.00 0.00 175.29 172.88 1afl n THR 70 N -3.66 0.64 0.04 -0.19 -2.24 -1.26 -0.24 114.28 107.38 1afl n THR 70 Ca 0.09 -0.82 -0.10 0.00 -2.27 0.00 0.00 64.05 60.96 1afl n THR 70 Cb 0.53 0.82 0.06 0.00 -2.10 0.00 0.00 70.33 69.64 1afl n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1afl n ASN 71 N 1.11 3.64 -4.79 3.42 6.94 -1.26 -4.67 115.26 119.66 1afl n ASN 71 Ca 0.16 -2.65 -0.31 0.00 -0.02 0.00 0.00 54.58 51.76 1afl n ASN 71 Cb 0.51 -0.68 -0.06 0.00 -2.36 0.00 0.00 39.78 37.18 1afl n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1afl s TYR 73 N -1.35 0.14 -0.11 0.00 1.51 0.19 -0.94 117.35 116.79 1afl s TYR 73 Ca 0.28 -0.04 -0.03 0.00 -1.01 0.00 0.00 57.07 56.27 1afl s TYR 73 Cb -0.12 -0.09 -0.03 0.00 -0.11 0.00 0.00 41.96 41.61 1afl s TYR 73 CO 0.20 -0.01 -0.01 -1.14 -1.11 0.00 0.00 175.55 173.48 1afl s GLN 74 N -0.09 3.25 0.32 -0.62 0.74 0.92 -1.46 119.66 122.72 1afl s GLN 74 Ca -0.00 -0.45 -0.28 0.00 0.05 0.00 0.00 55.36 54.67 1afl s GLN 74 Cb -0.01 -2.84 -0.10 0.00 1.10 0.00 0.00 33.01 31.16 1afl s GLN 74 CO -0.00 0.52 1.19 -1.54 -0.55 0.00 0.00 175.29 174.91 1afl s SER 75 N -0.38 6.95 0.22 6.67 1.04 -0.37 -2.17 113.70 125.66 1afl s SER 75 Ca 0.07 2.44 -0.01 0.00 0.48 0.00 0.00 55.95 58.93 1afl s SER 75 Cb -0.12 -2.63 0.21 0.00 0.10 0.00 0.00 66.02 63.57 1afl s SER 75 CO 0.02 -0.38 1.58 1.88 0.98 0.00 0.00 173.24 177.32 1afl h TYR 76 N 3.44 0.66 -2.29 5.02 0.05 -1.96 -3.43 116.97 118.45 1afl h TYR 76 Ca -0.48 -0.20 -0.52 0.00 0.05 0.00 0.00 58.73 57.59 1afl h TYR 76 Cb 1.22 -0.14 -0.05 0.00 1.01 0.00 0.00 36.73 38.77 1afl h TYR 76 CO 0.57 0.89 -0.53 -1.54 -1.05 0.00 0.00 178.16 176.49 1afl s SER 77 N -6.86 5.54 0.49 3.88 1.04 -1.26 -5.06 113.70 111.47 1afl s SER 77 Ca -0.07 -0.22 -0.20 0.00 0.48 0.00 0.00 55.95 55.94 1afl s SER 77 Cb 0.12 -1.42 -0.08 0.00 0.10 0.00 0.00 66.02 64.74 1afl s SER 77 CO 0.82 -0.02 1.04 0.42 0.98 0.00 0.00 173.24 176.49 1afl s THR 78 N -2.06 3.76 0.14 2.02 -4.23 -1.26 -4.55 115.64 109.45 1afl s THR 78 Ca 0.33 1.08 0.07 0.00 -1.18 0.00 0.00 61.69 61.98 1afl s THR 78 Cb -0.08 -3.44 -0.04 0.00 1.34 0.00 0.00 72.50 70.28 1afl s THR 78 CO 0.25 -0.25 -0.15 -0.04 -0.54 0.00 0.00 174.62 173.89 1afl s MET 79 N -3.28 1.10 -0.14 3.99 -1.94 0.11 -4.87 119.30 114.29 1afl s MET 79 Ca 0.67 -1.31 -0.29 0.00 -1.71 0.00 0.00 55.69 53.05 1afl s MET 79 Cb -0.17 -1.01 -0.01 0.00 2.01 0.00 0.00 34.83 35.66 1afl s MET 79 CO 0.21 0.19 1.04 0.45 -0.01 0.00 0.00 175.02 176.91 1afl s SER 80 N -2.59 7.18 0.09 3.03 0.15 -1.26 -1.67 113.70 118.62 1afl s SER 80 Ca 0.12 1.52 0.01 0.00 0.70 0.00 0.00 55.95 58.30 1afl s SER 80 Cb -0.04 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.67 1afl s SER 80 CO 0.04 -0.53 -0.06 0.27 1.20 0.00 0.00 173.24 174.16 1afl s ILE 81 N 2.42 0.59 -0.13 6.45 -4.36 -0.59 -0.72 121.20 124.85 1afl s ILE 81 Ca 0.48 -1.89 -0.00 0.00 -0.26 0.00 0.00 60.65 58.98 1afl s ILE 81 Cb -0.18 -1.62 0.03 0.00 1.25 0.00 0.00 42.46 41.94 1afl s ILE 81 CO 0.15 -0.89 -0.07 -0.89 0.24 0.00 0.00 174.94 173.48 1afl s THR 82 N -3.63 1.10 -0.07 8.37 2.01 0.16 -1.86 115.64 121.72 1afl s THR 82 Ca 0.10 -0.44 -0.16 0.00 0.31 0.00 0.00 61.69 61.51 1afl s THR 82 Cb 0.05 -1.16 -0.05 0.00 0.01 0.00 0.00 72.50 71.35 1afl s THR 82 CO -0.06 0.29 0.42 -1.81 -0.69 0.00 0.00 174.62 172.77 1afl s ASP 83 N 1.66 6.71 -0.22 3.53 1.11 0.59 -1.00 116.67 129.06 1afl s ASP 83 Ca 0.03 0.84 -0.01 0.00 0.18 0.00 0.00 52.55 53.60 1afl s ASP 83 Cb -0.14 -2.26 0.02 0.00 1.07 0.00 0.00 42.92 41.62 1afl s ASP 83 CO -0.08 0.17 -0.10 0.00 1.18 0.00 0.00 175.17 176.33 1afl s ARG 85 N 1.33 3.43 -0.01 0.00 0.52 -0.94 -2.08 118.95 121.20 1afl s ARG 85 Ca 0.02 -0.64 -0.30 0.00 -0.52 0.00 0.00 55.73 54.29 1afl s ARG 85 Cb -0.15 -2.77 -0.06 0.00 0.52 0.00 0.00 34.95 32.49 1afl s ARG 85 CO -0.07 0.12 1.51 -2.00 0.02 0.00 0.00 175.30 174.88 1afl s GLU 86 N 0.62 4.24 0.33 3.54 2.12 0.21 -0.34 118.70 129.42 1afl s GLU 86 Ca -0.06 2.09 -0.26 0.00 0.36 0.00 0.00 54.97 57.10 1afl s GLU 86 Cb -0.15 -3.68 -0.10 0.00 0.26 0.00 0.00 34.13 30.46 1afl s GLU 86 CO 0.03 -0.68 0.97 0.95 -0.54 0.00 0.00 175.26 175.99 1afl s THR 87 N 2.90 4.07 0.31 -1.70 -4.23 0.17 -4.90 115.64 112.25 1afl s THR 87 Ca 0.68 1.71 0.08 0.00 -1.18 0.00 0.00 61.69 62.98 1afl s THR 87 Cb -0.33 -3.95 0.32 0.00 1.34 0.00 0.00 72.50 69.88 1afl s THR 87 CO 0.28 0.14 1.66 1.23 -0.54 0.00 0.00 174.62 177.38 1afl h GLY 88 N 3.10 1.72 1.59 3.99 0.00 -1.94 0.18 103.07 111.72 1afl h GLY 88 Ca -0.47 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.72 1afl h GLY 88 CO 0.65 -0.42 0.00 -1.14 0.00 0.00 0.00 176.54 175.63 1afl n SER 89 N -5.13 0.00 -4.73 0.19 3.41 -1.26 -4.68 113.62 101.42 1afl n SER 89 Ca 0.26 0.21 -0.42 0.00 -0.26 0.00 0.00 58.87 58.67 1afl n SER 89 Cb 0.83 -0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 1afl n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1afl s SER 90 N -2.59 6.87 -0.09 4.04 0.15 0.65 -4.90 113.70 117.82 1afl s SER 90 Ca 0.06 2.35 -0.03 0.00 0.70 0.00 0.00 55.95 59.03 1afl s SER 90 Cb 0.04 -2.60 0.04 0.00 -1.71 0.00 0.00 66.02 61.80 1afl s SER 90 CO 0.10 -0.59 0.08 -0.54 1.20 0.00 0.00 173.24 173.49 1afl s LYS 91 N 0.53 -0.02 0.32 5.44 -0.14 -0.49 -4.88 119.74 120.50 1afl s LYS 91 Ca 0.61 0.24 -0.28 0.00 -1.36 0.00 0.00 55.97 55.17 1afl s LYS 91 Cb -0.36 -0.93 -0.13 0.00 -1.68 0.00 0.00 37.83 34.72 1afl s LYS 91 CO 0.34 -0.45 1.23 0.98 -0.76 0.00 0.00 175.35 176.70 1afl n TYR 92 N 5.30 2.02 1.64 3.18 9.36 -1.26 0.98 117.16 138.38 1afl n TYR 92 Ca -0.04 0.58 0.07 0.00 3.32 0.00 0.00 57.90 61.82 1afl n TYR 92 Cb 0.50 -2.38 0.31 0.00 -0.63 0.00 0.00 39.34 37.14 1afl n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1afl n PRO 93 N 0.73 1.30 -2.97 2.98 -0.04 -1.26 -4.97 135.00 130.77 1afl n PRO 93 Ca 0.07 -0.46 -0.44 0.00 -0.04 0.00 0.00 63.50 62.62 1afl n PRO 93 Cb 0.35 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 1afl n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1afl n ASN 94 N -0.24 5.46 -4.74 3.54 4.13 0.28 -5.01 115.26 118.67 1afl n ASN 94 Ca 0.11 -3.08 -0.41 0.00 1.68 0.00 0.00 54.58 52.88 1afl n ASN 94 Cb 0.15 -1.46 -0.04 0.00 -1.54 0.00 0.00 39.78 36.89 1afl n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1afl s ALA 96 N -0.47 1.26 0.07 0.00 0.00 -1.26 -4.94 121.76 116.42 1afl s ALA 96 Ca 0.48 -0.65 0.03 0.00 0.00 0.00 0.00 51.96 51.82 1afl s ALA 96 Cb -0.30 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 1afl s ALA 96 CO 0.36 0.31 -0.09 0.71 0.00 0.00 0.00 175.76 177.05 1afl s TYR 97 N -0.34 0.85 -0.22 0.00 1.51 -1.26 -0.66 117.35 117.23 1afl s TYR 97 Ca 0.05 -0.62 -0.07 0.00 -1.01 0.00 0.00 57.07 55.42 1afl s TYR 97 Cb -0.06 -0.49 -0.03 0.00 -0.11 0.00 0.00 41.96 41.27 1afl s TYR 97 CO -0.00 -0.07 0.06 0.21 -1.11 0.00 0.00 175.55 174.63 1afl s LYS 98 N -2.36 3.76 -0.11 -0.62 2.20 0.54 -4.66 119.74 118.49 1afl s LYS 98 Ca -0.01 -0.44 -0.21 0.00 -0.36 0.00 0.00 55.97 54.95 1afl s LYS 98 Cb -0.05 -3.25 -0.04 0.00 -1.51 0.00 0.00 37.83 32.98 1afl s LYS 98 CO -0.01 0.00 0.59 0.99 -0.36 0.00 0.00 175.35 176.57 1afl s THR 99 N 1.10 5.10 -0.08 3.43 2.01 -1.26 -2.22 115.64 123.71 1afl s THR 99 Ca 0.04 1.20 -0.02 0.00 0.31 0.00 0.00 61.69 63.22 1afl s THR 99 Cb -0.14 -3.93 0.03 0.00 0.01 0.00 0.00 72.50 68.47 1afl s THR 99 CO 0.03 0.26 0.03 -0.89 -0.69 0.00 0.00 174.62 173.36 1afl s THR 100 N 0.91 0.24 0.10 -0.82 2.01 -0.47 -4.96 115.64 112.64 1afl s THR 100 Ca 0.31 0.11 -0.13 0.00 0.31 0.00 0.00 61.69 62.29 1afl s THR 100 Cb -0.16 -0.49 -0.06 0.00 0.01 0.00 0.00 72.50 71.79 1afl s THR 100 CO 0.14 0.15 0.48 -1.58 -0.69 0.00 0.00 174.62 173.11 1afl s GLN 101 N 2.02 3.90 0.20 4.92 2.00 -1.26 -0.30 119.66 131.14 1afl s GLN 101 Ca 0.04 0.37 -0.23 0.00 -2.00 0.00 0.00 55.36 53.54 1afl s GLN 101 Cb -0.13 -3.00 0.05 0.00 0.80 0.00 0.00 33.01 30.72 1afl s GLN 101 CO -0.05 0.54 0.80 0.00 -0.50 0.00 0.00 175.29 176.08 1afl s ALA 102 N -1.38 -1.47 -0.23 1.58 0.00 -0.78 -4.99 121.76 114.50 1afl s ALA 102 Ca 0.34 0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.37 1afl s ALA 102 Cb -0.15 0.74 0.05 0.00 0.00 0.00 0.00 23.12 23.77 1afl s ALA 102 CO 0.18 -0.98 -0.08 -0.80 0.00 0.00 0.00 175.76 174.09 1afl s ASN 103 N -2.87 3.84 0.23 0.00 0.01 -1.26 -1.54 114.94 113.35 1afl s ASN 103 Ca 0.10 -1.14 -0.05 0.00 -0.71 0.00 0.00 52.86 51.06 1afl s ASN 103 Cb -0.03 -1.27 -0.02 0.00 0.41 0.00 0.00 41.25 40.33 1afl s ASN 103 CO 0.01 -0.20 0.28 -0.54 -1.51 0.00 0.00 177.10 175.14 1afl s LYS 104 N 1.34 1.38 0.19 -0.60 1.02 -0.67 -4.80 119.74 117.60 1afl s LYS 104 Ca -0.05 -1.51 -0.29 0.00 0.02 0.00 0.00 55.97 54.14 1afl s LYS 104 Cb -0.18 0.35 -0.08 0.00 -0.52 0.00 0.00 37.83 37.40 1afl s LYS 104 CO -0.07 -0.51 0.90 -1.01 -0.92 0.00 0.00 175.35 173.75 1afl s HIS 105 N -4.03 3.93 0.13 3.18 3.76 0.99 0.06 115.29 123.31 1afl s HIS 105 Ca 0.33 1.82 0.04 0.00 -0.15 0.00 0.00 55.06 57.09 1afl s HIS 105 Cb 0.04 -2.94 -0.04 0.00 1.11 0.00 0.00 32.58 30.75 1afl s HIS 105 CO 0.12 0.42 0.15 0.96 -0.85 0.00 0.00 174.74 175.53 1afl s ILE 106 N -0.90 4.72 -0.14 0.60 -4.36 -1.26 -0.75 121.20 119.11 1afl s ILE 106 Ca 0.41 -0.85 0.00 0.00 -0.26 0.00 0.00 60.65 59.95 1afl s ILE 106 Cb -0.25 -3.36 0.02 0.00 1.25 0.00 0.00 42.46 40.12 1afl s ILE 106 CO 0.30 -0.01 -0.13 -0.63 0.24 0.00 0.00 174.94 174.71 1afl s ILE 107 N -1.61 1.47 0.13 8.37 1.01 0.75 -1.24 121.20 130.08 1afl s ILE 107 Ca 0.31 -0.57 0.08 0.00 0.00 0.00 0.00 60.65 60.47 1afl s ILE 107 Cb -0.11 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 1afl s ILE 107 CO 0.24 0.44 -0.19 0.68 0.00 0.00 0.00 174.94 176.11 1afl s VAL 108 N 1.49 1.73 -0.09 2.92 -7.23 -0.54 -0.09 120.40 118.58 1afl s VAL 108 Ca 0.04 -1.73 -0.11 0.00 -1.81 0.00 0.00 61.98 58.36 1afl s VAL 108 Cb -0.13 -1.69 -0.05 0.00 0.56 0.00 0.00 36.38 35.08 1afl s VAL 108 CO -0.10 -0.21 0.26 0.00 -0.31 0.00 0.00 175.10 174.75 1afl s ALA 109 N -1.66 3.75 0.17 1.32 0.00 -0.09 -0.64 121.76 124.60 1afl s ALA 109 Ca 0.11 -0.46 0.11 0.00 0.00 0.00 0.00 51.96 51.72 1afl s ALA 109 Cb -0.08 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.79 1afl s ALA 109 CO 0.05 0.44 -0.24 0.00 0.00 0.00 0.00 175.76 176.01 1afl s GLU 111 N -2.46 1.46 0.20 0.00 2.02 -0.79 -4.91 118.70 114.22 1afl s GLU 111 Ca 0.17 -0.77 0.00 0.00 0.02 0.00 0.00 54.97 54.40 1afl s GLU 111 Cb -0.08 0.57 0.00 0.00 0.10 0.00 0.00 34.13 34.71 1afl s GLU 111 CO 0.08 -0.64 0.00 0.41 0.02 0.00 0.00 175.26 175.13 1afl n GLY 112 N -0.39 -2.45 2.72 -1.39 0.00 -1.26 -2.05 105.19 100.37 1afl n GLY 112 Ca -0.11 -1.60 -0.28 0.00 0.00 0.00 0.00 46.02 44.03 1afl n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1afl s ASN 113 N -2.24 3.14 0.70 1.61 3.04 -1.26 -2.51 114.94 117.42 1afl s ASN 113 Ca 0.00 -0.98 -0.16 0.00 0.04 0.00 0.00 52.86 51.76 1afl s ASN 113 Cb 0.00 -0.63 0.02 0.00 -1.54 0.00 0.00 41.25 39.11 1afl s ASN 113 CO 0.00 -0.33 1.24 -2.84 -3.04 0.00 0.00 177.10 172.13 1afl s PRO 114 N 1.83 2.25 -0.62 0.43 0.02 -1.26 -5.08 135.00 132.57 1afl s PRO 114 Ca 0.01 1.89 -0.28 0.00 0.02 0.00 0.00 61.00 62.64 1afl s PRO 114 Cb -0.17 -1.83 0.02 0.00 0.02 0.00 0.00 34.50 32.54 1afl s PRO 114 CO -0.12 -1.78 1.35 -0.47 -0.33 0.00 0.00 177.00 175.65 1afl s TYR 115 N -1.76 2.32 0.24 6.54 5.04 -1.04 -4.87 117.35 123.82 1afl s TYR 115 Ca 0.78 0.33 0.07 0.00 -2.44 0.00 0.00 57.07 55.81 1afl s TYR 115 Cb -0.32 -4.47 -0.05 0.00 0.35 0.00 0.00 41.96 37.46 1afl s TYR 115 CO 0.43 -1.94 -0.09 0.14 -1.34 0.00 0.00 175.55 172.76 1afl s VAL 116 N 5.90 1.60 0.23 3.14 -7.23 -0.87 -4.86 120.40 118.30 1afl s VAL 116 Ca 0.46 -2.15 -0.30 0.00 -1.81 0.00 0.00 61.98 58.18 1afl s VAL 116 Cb -0.09 -2.25 -0.10 0.00 0.56 0.00 0.00 36.38 34.50 1afl s VAL 116 CO 0.22 -0.44 1.41 -2.84 -0.31 0.00 0.00 175.10 173.14 1afl s PRO 117 N -3.71 4.30 0.00 4.82 0.02 -1.26 -1.88 135.00 137.29 1afl s PRO 117 Ca 0.26 2.23 0.00 0.00 0.02 0.00 0.00 61.00 63.51 1afl s PRO 117 Cb 0.02 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.40 1afl s PRO 117 CO 0.09 -0.39 0.12 1.33 -0.33 0.00 0.00 177.00 177.82 1afl n VAL 118 N 2.58 0.00 -3.63 3.83 0.24 -0.25 -4.51 118.33 116.58 1afl n VAL 118 Ca 0.07 -0.29 -0.13 0.00 -2.04 0.00 0.00 64.34 61.95 1afl n VAL 118 Cb 0.41 1.17 -0.07 0.00 -1.47 0.00 0.00 33.84 33.88 1afl n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1afl s HIS 119 N -0.34 -0.74 -0.26 6.34 5.65 -1.19 -4.67 115.29 120.07 1afl s HIS 119 Ca 0.00 1.81 -0.16 0.00 0.25 0.00 0.00 55.06 56.96 1afl s HIS 119 Cb 0.00 0.28 -0.03 0.00 -1.18 0.00 0.00 32.58 31.65 1afl s HIS 119 CO 0.00 -0.36 0.44 0.12 -0.65 0.00 0.00 174.74 174.29 1afl s PHE 120 N 0.34 3.27 -0.22 3.88 2.19 -1.26 -0.91 117.98 125.26 1afl s PHE 120 Ca 0.00 0.53 -0.10 0.00 0.33 0.00 0.00 56.93 57.70 1afl s PHE 120 Cb -0.05 -2.64 -0.18 0.00 -1.31 0.00 0.00 43.02 38.84 1afl s PHE 120 CO 0.00 -0.24 -0.05 -3.47 1.83 0.00 0.00 175.22 173.30 1afl n ASP 121 N 5.36 1.98 -3.65 6.13 2.03 0.87 -4.95 116.55 124.32 1afl n ASP 121 Ca -0.06 0.20 0.01 0.00 0.52 0.00 0.00 54.79 55.45 1afl n ASP 121 Cb 0.50 -0.75 -0.00 0.00 -0.72 0.00 0.00 41.12 40.15 1afl n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1afl s ALA 122 N -2.49 -2.14 0.04 -1.67 0.00 -1.00 -4.95 121.76 109.54 1afl s ALA 122 Ca -0.32 0.47 0.05 0.00 0.00 0.00 0.00 51.96 52.16 1afl s ALA 122 Cb 0.10 0.49 -0.02 0.00 0.00 0.00 0.00 23.12 23.68 1afl s ALA 122 CO 0.60 -1.07 -0.14 -1.54 0.00 0.00 0.00 175.76 173.62 1afl s SER 123 N -3.10 1.62 0.00 0.00 1.04 -1.26 -0.18 113.70 111.82 1afl s SER 123 Ca 0.16 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1afl s SER 123 Cb 0.03 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.04 1afl s SER 123 CO -0.02 0.03 0.00 0.55 0.98 0.00 0.00 173.24 174.78