#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1afv n ILE 2 N 0.00 0.00 -0.78 4.25 3.06 -0.18 -2.29 119.36 123.41 1afv n ILE 2 Ca 0.00 0.00 -0.09 0.00 -2.50 0.00 0.00 62.75 60.16 1afv n ILE 2 Cb 0.00 0.00 -0.04 0.00 0.54 0.00 0.00 39.64 40.14 1afv n ILE 2 CO 0.00 0.00 0.00 0.52 -2.50 0.00 0.00 176.55 174.57 1afv n VAL 3 N -1.81 2.51 0.00 9.51 0.31 0.18 -4.43 118.33 124.60 1afv n VAL 3 Ca 0.00 -1.19 0.00 0.00 -0.01 0.00 0.00 64.34 63.14 1afv n VAL 3 Cb 0.00 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 31.34 1afv n VAL 3 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1afv n GLN 4 N 1.42 0.00 -0.21 5.55 0.00 -1.25 -3.83 117.38 119.07 1afv n GLN 4 Ca 0.20 0.12 0.09 0.00 -0.00 0.00 0.00 57.00 57.41 1afv n GLN 4 Cb 0.62 -0.93 0.16 0.00 0.00 0.00 0.00 30.24 30.08 1afv n GLN 4 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1afv n ASN 5 N -0.86 2.27 0.00 1.69 3.02 -1.26 -4.71 115.26 115.40 1afv n ASN 5 Ca 0.00 -3.27 0.00 0.00 -0.03 0.00 0.00 54.58 51.28 1afv n ASN 5 Cb 0.00 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 1afv n ASN 5 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1afv n LEU 6 N -1.33 0.63 -1.80 3.41 4.77 -1.26 -4.78 117.00 116.64 1afv n LEU 6 Ca 0.17 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.07 1afv n LEU 6 Cb 0.67 -1.09 -0.07 0.00 -2.33 0.00 0.00 43.42 40.59 1afv n LEU 6 CO 0.01 -0.32 1.31 0.00 -1.33 0.00 0.00 177.39 177.06 1afv n GLN 7 N -2.00 1.56 -3.69 3.23 -0.00 -1.26 -4.60 117.38 110.61 1afv n GLN 7 Ca 0.00 -0.66 -0.10 0.00 -0.00 0.00 0.00 57.00 56.24 1afv n GLN 7 Cb 0.00 -1.53 -0.11 0.00 -0.00 0.00 0.00 30.24 28.60 1afv n GLN 7 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1afv s GLY 8 N 1.79 -0.31 0.00 2.61 0.00 -1.26 -5.11 107.32 105.04 1afv s GLY 8 Ca 0.34 1.49 0.00 0.00 0.00 0.00 0.00 44.72 46.55 1afv s GLY 8 CO -0.01 1.72 0.00 -1.06 0.00 0.00 0.00 173.10 173.75 1afv n GLN 9 N 4.37 0.00 0.00 2.90 3.00 -1.26 -4.74 117.38 121.65 1afv n GLN 9 Ca -0.22 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.77 1afv n GLN 9 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.79 1afv n GLN 9 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1afv n MET 10 N 0.00 0.00 -1.69 -1.09 2.81 -1.26 -4.69 117.12 111.20 1afv n MET 10 Ca 0.00 0.07 -0.39 0.00 -1.81 0.00 0.00 57.70 55.57 1afv n MET 10 Cb 0.00 -1.51 0.04 0.00 -0.71 0.00 0.00 33.22 31.04 1afv n MET 10 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1afv n VAL 11 N -1.01 3.51 -3.52 2.03 0.31 -1.26 -5.03 118.33 113.36 1afv n VAL 11 Ca 0.00 -0.50 -0.11 0.00 -0.01 0.00 0.00 64.34 63.72 1afv n VAL 11 Cb 0.01 -1.47 -0.03 0.00 -0.91 0.00 0.00 33.84 31.44 1afv n VAL 11 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1afv s HIS 12 N -1.33 -0.41 0.00 3.52 -3.43 -1.26 -4.72 115.29 107.66 1afv s HIS 12 Ca 0.70 0.47 -0.10 0.00 -0.80 0.00 0.00 55.06 55.33 1afv s HIS 12 Cb -0.44 0.50 0.01 0.00 -1.43 0.00 0.00 32.58 31.21 1afv s HIS 12 CO 0.50 -0.52 0.21 -0.65 -2.00 0.00 0.00 174.74 172.28 1afv s GLN 13 N -2.32 0.58 0.33 -0.38 -0.21 -0.97 -4.92 119.66 111.77 1afv s GLN 13 Ca 0.00 -0.37 -0.26 0.00 0.02 0.00 0.00 55.36 54.75 1afv s GLN 13 Cb -0.01 0.25 -0.10 0.00 1.00 0.00 0.00 33.01 34.15 1afv s GLN 13 CO -0.04 -0.15 0.97 0.00 -2.12 0.00 0.00 175.29 173.95 1afv s ALA 14 N -1.57 3.20 -0.17 6.09 0.00 -1.26 0.21 121.76 128.26 1afv s ALA 14 Ca -0.13 0.57 -0.34 0.00 0.00 0.00 0.00 51.96 52.06 1afv s ALA 14 Cb -0.06 -3.20 -0.11 0.00 0.00 0.00 0.00 23.12 19.74 1afv s ALA 14 CO 0.02 0.10 1.96 1.51 0.00 0.00 0.00 175.76 179.35 1afv n ILE 15 N 0.52 0.46 -1.65 0.00 3.06 -1.26 -4.62 119.36 115.87 1afv n ILE 15 Ca 0.02 -0.16 -0.48 0.00 -2.50 0.00 0.00 62.75 59.63 1afv n ILE 15 Cb 0.50 -1.83 -0.05 0.00 0.54 0.00 0.00 39.64 38.80 1afv n ILE 15 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 1afv n SER 16 N 7.58 2.73 0.01 9.51 2.88 -1.26 -4.74 113.62 130.32 1afv n SER 16 Ca 0.27 1.08 0.22 0.00 -1.33 0.00 0.00 58.87 59.11 1afv n SER 16 Cb 0.28 -1.35 0.73 0.00 -0.75 0.00 0.00 64.21 63.11 1afv n SER 16 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1afv h PRO 17 N 5.90 0.00 0.14 -1.46 0.11 -1.98 0.27 132.00 134.97 1afv h PRO 17 Ca -0.46 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.66 1afv h PRO 17 Cb 1.28 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.36 1afv h PRO 17 CO 0.87 0.00 -0.22 0.00 -0.21 0.00 0.00 178.00 178.43 1afv h ARG 18 N 0.00 -0.41 -0.37 1.05 2.47 -1.99 0.43 114.38 115.57 1afv h ARG 18 Ca 0.26 0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.97 1afv h ARG 18 Cb 1.19 0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 29.59 1afv h ARG 18 CO -0.00 -0.28 0.10 1.15 0.56 0.00 0.00 179.97 181.51 1afv h THR 19 N -0.43 1.22 0.29 2.04 2.02 -0.87 -0.98 112.91 116.20 1afv h THR 19 Ca 0.02 -0.72 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 1afv h THR 19 Cb 0.44 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1afv h THR 19 CO -0.11 0.25 -0.14 0.25 0.37 0.00 0.00 175.52 176.14 1afv h LEU 20 N 0.45 -0.33 -1.53 2.58 6.46 -0.91 -1.75 115.31 120.27 1afv h LEU 20 Ca 0.12 -0.06 0.10 0.00 -0.12 0.00 0.00 57.88 57.92 1afv h LEU 20 Cb 0.27 0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.25 1afv h LEU 20 CO -0.00 -0.15 0.46 0.78 -0.62 0.00 0.00 178.44 178.90 1afv h ASN 21 N -0.50 0.47 -0.66 1.25 2.35 -0.10 0.20 115.58 118.59 1afv h ASN 21 Ca -0.04 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1afv h ASN 21 Cb 0.37 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 1afv h ASN 21 CO 0.07 0.28 0.36 0.00 -1.65 0.00 0.00 177.43 176.48 1afv h ALA 22 N 1.66 0.84 -0.32 -0.83 0.00 -0.58 -2.06 119.26 117.97 1afv h ALA 22 Ca 0.32 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1afv h ALA 22 Cb 0.55 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1afv h ALA 22 CO -0.10 0.36 0.12 2.35 0.00 0.00 0.00 179.25 181.98 1afv h TRP 23 N 0.90 0.22 0.27 0.00 -0.00 -0.10 0.12 115.95 117.36 1afv h TRP 23 Ca 0.23 0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 59.13 1afv h TRP 23 Cb 0.04 -0.05 -0.02 0.00 -0.00 0.00 0.00 29.16 29.13 1afv h TRP 23 CO -0.01 0.11 -0.36 0.28 -0.00 0.00 0.00 178.44 178.46 1afv h VAL 24 N 0.27 0.00 -0.91 2.65 2.07 -1.11 -2.02 116.25 117.20 1afv h VAL 24 Ca 0.14 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.85 1afv h VAL 24 Cb 0.10 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.76 1afv h VAL 24 CO -0.13 0.00 0.48 0.50 0.02 0.00 0.00 177.57 178.44 1afv h LYS 25 N -0.64 0.58 0.20 1.57 3.11 -1.20 0.14 116.57 120.33 1afv h LYS 25 Ca -0.03 -0.03 0.01 0.00 -2.81 0.00 0.00 60.65 57.79 1afv h LYS 25 Cb 0.58 -0.13 -0.04 0.00 -1.00 0.00 0.00 32.23 31.64 1afv h LYS 25 CO -0.09 0.38 -0.38 0.28 -2.81 0.00 0.00 179.45 176.83 1afv h VAL 26 N 0.59 0.22 0.00 2.00 2.07 -0.32 0.45 116.25 121.26 1afv h VAL 26 Ca 0.53 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 68.00 1afv h VAL 26 Cb 0.87 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1afv h VAL 26 CO -0.42 0.00 -0.22 0.58 0.02 0.00 0.00 177.57 177.53 1afv h VAL 27 N -0.66 0.59 -0.32 2.57 2.07 -0.81 0.85 116.25 120.52 1afv h VAL 27 Ca 0.01 -1.05 -0.17 0.00 0.82 0.00 0.00 66.70 66.31 1afv h VAL 27 Cb 0.66 1.70 -0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1afv h VAL 27 CO -0.17 0.21 -0.48 -0.08 0.02 0.00 0.00 177.57 177.07 1afv h GLU 28 N 0.00 0.87 0.00 1.57 4.81 0.36 0.33 114.58 122.53 1afv h GLU 28 Ca -0.00 -0.51 -0.30 0.00 -0.13 0.00 0.00 59.36 58.41 1afv h GLU 28 Cb 0.68 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.05 1afv h GLU 28 CO 0.03 1.15 -1.79 0.39 -0.73 0.00 0.00 179.01 178.06 1afv n GLU 29 N -4.02 0.64 0.00 1.92 -0.58 0.15 -4.50 120.64 114.25 1afv n GLU 29 Ca -0.03 0.26 0.04 0.00 -0.42 0.00 0.00 57.16 57.01 1afv n GLU 29 Cb 0.59 -1.76 -0.03 0.00 -0.57 0.00 0.00 31.44 29.66 1afv n GLU 29 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1afv n LYS 30 N -3.03 3.97 0.00 3.49 4.01 0.27 -5.09 118.16 121.78 1afv n LYS 30 Ca -0.19 -0.12 0.00 0.00 -0.51 0.00 0.00 58.31 57.49 1afv n LYS 30 Cb 1.06 -0.90 0.00 0.00 -0.51 0.00 0.00 35.03 34.69 1afv n LYS 30 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1afv n ALA 31 N -0.98 0.00 -0.18 7.82 0.00 0.12 -2.70 120.51 124.59 1afv n ALA 31 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.35 1afv n ALA 31 Cb 0.13 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.64 1afv n ALA 31 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1afv n PHE 32 N 0.00 1.31 -1.05 0.00 3.72 -1.26 -4.60 117.46 115.58 1afv n PHE 32 Ca 0.00 -1.27 -0.31 0.00 -0.05 0.00 0.00 57.45 55.82 1afv n PHE 32 Cb 0.00 -0.64 0.12 0.00 -0.94 0.00 0.00 39.48 38.03 1afv n PHE 32 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1afv s SER 33 N 0.13 3.82 0.65 4.37 1.04 -1.10 -4.67 113.70 117.95 1afv s SER 33 Ca 0.25 1.91 0.20 0.00 0.48 0.00 0.00 55.95 58.80 1afv s SER 33 Cb 0.20 -2.51 1.07 0.00 0.10 0.00 0.00 66.02 64.88 1afv s SER 33 CO 0.03 -2.48 1.59 1.55 0.98 0.00 0.00 173.24 174.91 1afv h PRO 34 N -1.44 0.00 -0.00 4.02 0.13 -1.92 0.74 132.00 133.53 1afv h PRO 34 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1afv h PRO 34 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1afv h PRO 34 CO 0.48 0.00 -0.01 -0.85 -0.23 0.00 0.00 178.00 177.39 1afv n GLU 35 N -2.90 0.70 0.15 0.86 0.28 -1.26 -3.48 120.64 114.99 1afv n GLU 35 Ca 0.02 -0.04 -0.00 0.00 -0.16 0.00 0.00 57.16 56.98 1afv n GLU 35 Cb 0.69 -1.50 0.21 0.00 1.43 0.00 0.00 31.44 32.27 1afv n GLU 35 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 177.13 176.73 1afv h VAL 36 N 0.09 1.38 0.23 3.84 3.04 -1.09 -3.15 116.25 120.59 1afv h VAL 36 Ca 0.00 -1.94 -0.01 0.00 -1.01 0.00 0.00 66.70 63.74 1afv h VAL 36 Cb 0.18 2.05 0.00 0.00 -2.01 0.00 0.00 31.29 31.51 1afv h VAL 36 CO 0.00 0.55 -0.11 0.40 -1.01 0.00 0.00 177.57 177.40 1afv h ILE 37 N 0.00 0.80 -0.17 3.17 2.04 -1.78 -2.39 117.51 119.18 1afv h ILE 37 Ca -0.01 -0.80 0.04 0.00 1.00 0.00 0.00 64.86 65.10 1afv h ILE 37 Cb 1.01 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 38.27 1afv h ILE 37 CO 0.07 0.16 -0.10 -0.65 0.00 0.00 0.00 178.15 177.64 1afv h PRO 38 N -0.75 -0.08 -0.18 2.37 0.11 -1.77 -1.68 132.00 130.02 1afv h PRO 38 Ca -0.03 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 1afv h PRO 38 Cb 0.50 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 1afv h PRO 38 CO 0.05 -0.05 0.04 0.52 -0.21 0.00 0.00 178.00 178.35 1afv h MET 39 N -0.08 0.25 0.72 1.05 2.86 -1.64 -1.67 114.93 116.41 1afv h MET 39 Ca 0.10 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 1afv h MET 39 Cb 0.23 -0.05 0.01 0.00 0.06 0.00 0.00 31.60 31.85 1afv h MET 39 CO -0.23 0.24 -0.35 0.35 1.06 0.00 0.00 176.91 177.99 1afv h PHE 40 N 0.25 -0.90 -0.91 -0.22 3.57 -0.78 -1.59 116.94 116.37 1afv h PHE 40 Ca 0.06 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.66 1afv h PHE 40 Cb 0.11 0.30 -0.07 0.00 2.79 0.00 0.00 35.95 39.08 1afv h PHE 40 CO 0.00 -0.55 0.59 0.77 -2.23 0.00 0.00 178.31 176.89 1afv h SER 41 N -1.02 0.78 -0.50 0.41 0.02 -0.95 -1.11 113.55 111.18 1afv h SER 41 Ca -0.10 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 1afv h SER 41 Cb 0.76 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.15 1afv h SER 41 CO 0.16 0.43 0.16 0.00 -1.14 0.00 0.00 176.83 176.45 1afv h ALA 42 N 1.57 0.65 -0.26 3.77 0.00 -1.15 -1.86 119.26 121.99 1afv h ALA 42 Ca 0.44 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1afv h ALA 42 Cb 0.52 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1afv h ALA 42 CO -0.20 0.30 0.08 1.28 0.00 0.00 0.00 179.25 180.70 1afv n LEU 43 N -4.51 3.25 -0.77 0.00 4.77 -0.48 -3.53 117.00 115.73 1afv n LEU 43 Ca 0.02 -1.67 0.04 0.00 -0.03 0.00 0.00 56.01 54.37 1afv n LEU 43 Cb 0.19 -0.59 0.07 0.00 -2.33 0.00 0.00 43.42 40.76 1afv n LEU 43 CO 0.39 0.49 0.27 -0.24 -1.33 0.00 0.00 177.39 176.96 1afv n SER 44 N 0.12 1.05 -4.47 -1.43 2.88 -0.70 -4.92 113.62 106.16 1afv n SER 44 Ca 0.14 -2.54 -0.20 0.00 -1.33 0.00 0.00 58.87 54.94 1afv n SER 44 Cb 0.70 -0.33 -0.20 0.00 -0.75 0.00 0.00 64.21 63.63 1afv n SER 44 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1afv n GLU 45 N -0.30 0.04 -4.23 -1.46 1.02 -1.22 -2.56 120.64 111.93 1afv n GLU 45 Ca 0.08 -0.08 -0.35 0.00 -0.02 0.00 0.00 57.16 56.80 1afv n GLU 45 Cb 0.83 -1.22 -0.06 0.00 -0.02 0.00 0.00 31.44 30.97 1afv n GLU 45 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1afv n GLY 46 N 5.53 -0.32 3.96 0.62 0.00 -1.25 -4.23 105.19 109.50 1afv n GLY 46 Ca 0.61 0.22 -0.26 0.00 0.00 0.00 0.00 46.02 46.59 1afv n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1afv s ALA 47 N -4.13 3.08 0.33 4.61 0.00 -1.06 0.47 121.76 125.06 1afv s ALA 47 Ca 0.13 -1.39 -0.14 0.00 0.00 0.00 0.00 51.96 50.56 1afv s ALA 47 Cb -0.07 -2.39 -0.08 0.00 0.00 0.00 0.00 23.12 20.57 1afv s ALA 47 CO 0.99 -1.77 0.73 0.95 0.00 0.00 0.00 175.76 176.65 1afv s THR 48 N -3.42 4.71 0.37 0.00 -4.23 -1.26 -4.44 115.64 107.37 1afv s THR 48 Ca 0.68 0.86 0.17 0.00 -1.18 0.00 0.00 61.69 62.22 1afv s THR 48 Cb -0.06 -3.63 0.37 0.00 1.34 0.00 0.00 72.50 70.52 1afv s THR 48 CO 0.47 -0.23 1.69 -0.65 -0.54 0.00 0.00 174.62 175.37 1afv h PRO 49 N 2.13 0.33 0.14 3.99 0.11 -1.87 0.07 132.00 136.90 1afv h PRO 49 Ca -0.48 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1afv h PRO 49 Cb 1.18 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1afv h PRO 49 CO 0.65 0.22 -0.07 0.37 -0.21 0.00 0.00 178.00 178.97 1afv h GLN 50 N 0.34 -0.18 -0.97 1.05 4.15 -1.92 0.35 115.11 117.93 1afv h GLN 50 Ca 0.70 0.01 0.18 0.00 0.77 0.00 0.00 58.65 60.31 1afv h GLN 50 Cb 1.72 0.04 -0.10 0.00 0.21 0.00 0.00 27.48 29.35 1afv h GLN 50 CO -0.47 0.02 0.57 -0.44 -1.93 0.00 0.00 178.83 176.58 1afv h ASP 51 N -0.36 0.74 -0.19 -0.69 3.32 -1.39 0.30 116.42 118.14 1afv h ASP 51 Ca -0.02 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 1afv h ASP 51 Cb 0.29 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1afv h ASP 51 CO 0.03 0.27 0.00 -0.07 -1.72 0.00 0.00 179.24 177.76 1afv h LEU 52 N 0.75 0.33 -1.45 1.55 4.07 -1.04 -1.81 115.31 117.70 1afv h LEU 52 Ca 0.55 -0.30 0.04 0.00 0.08 0.00 0.00 57.88 58.25 1afv h LEU 52 Cb 0.83 -0.09 -0.03 0.00 1.08 0.00 0.00 40.66 42.45 1afv h LEU 52 CO -0.38 0.55 0.40 0.78 -1.08 0.00 0.00 178.44 178.72 1afv h ASN 53 N 0.10 0.61 0.27 -0.43 2.35 0.14 -1.59 115.58 117.02 1afv h ASN 53 Ca 0.05 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1afv h ASN 53 Cb 0.38 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1afv h ASN 53 CO 0.01 0.42 -0.13 0.74 -1.65 0.00 0.00 177.43 176.82 1afv h THR 54 N 0.71 0.77 0.11 2.81 2.02 -0.28 -0.79 112.91 118.25 1afv h THR 54 Ca 0.25 -0.23 0.02 0.00 0.77 0.00 0.00 66.41 67.22 1afv h THR 54 Cb 0.10 0.90 -0.05 0.00 -1.74 0.00 0.00 68.15 67.36 1afv h THR 54 CO -0.07 0.05 -0.48 0.24 0.37 0.00 0.00 175.52 175.63 1afv h MET 55 N -0.47 -0.68 -0.53 6.66 2.86 -0.50 0.45 114.93 122.70 1afv h MET 55 Ca -0.04 0.05 0.10 0.00 -2.06 0.00 0.00 59.70 57.75 1afv h MET 55 Cb 0.36 0.15 -0.08 0.00 0.06 0.00 0.00 31.60 32.09 1afv h MET 55 CO 0.06 -0.45 0.08 -0.07 1.06 0.00 0.00 176.91 177.59 1afv h LEU 56 N -0.70 -0.05 -1.11 1.22 3.38 -1.33 -0.39 115.31 116.32 1afv h LEU 56 Ca 0.01 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1afv h LEU 56 Cb 0.73 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 1afv h LEU 56 CO -0.28 -0.01 0.42 -1.13 0.09 0.00 0.00 178.44 177.54 1afv h ASN 57 N 0.21 0.93 -0.05 -0.43 -0.00 -0.58 -1.69 115.58 113.96 1afv h ASN 57 Ca 0.27 -0.07 0.02 0.00 -0.00 0.00 0.00 56.30 56.53 1afv h ASN 57 Cb 0.39 -0.23 -0.02 0.00 -0.00 0.00 0.00 38.32 38.45 1afv h ASN 57 CO -0.38 0.74 -0.08 0.74 -0.00 0.00 0.00 177.43 178.45 1afv h THR 58 N 1.05 0.78 -0.84 -3.57 2.02 0.16 -2.99 112.91 109.52 1afv h THR 58 Ca 0.27 0.00 -0.56 0.00 0.77 0.00 0.00 66.41 66.89 1afv h THR 58 Cb 0.01 0.78 -0.31 0.00 -1.74 0.00 0.00 68.15 66.89 1afv h THR 58 CO -0.05 0.00 0.25 0.55 0.37 0.00 0.00 175.52 176.65 1afv n VAL 59 N -5.21 3.14 -1.10 3.16 3.14 -0.93 -4.75 118.33 115.79 1afv n VAL 59 Ca -0.05 -3.17 -0.16 0.00 -2.96 0.00 0.00 64.34 58.00 1afv n VAL 59 Cb 0.13 -0.97 -0.15 0.00 -1.06 0.00 0.00 33.84 31.79 1afv n VAL 59 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1afv n GLY 60 N -0.91 3.28 0.32 7.55 0.00 -0.65 -4.75 105.19 110.03 1afv n GLY 60 Ca 0.53 -1.33 0.18 0.00 0.00 0.00 0.00 46.02 45.40 1afv n GLY 60 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1afv h GLY 61 N 4.94 1.55 -6.92 -0.02 0.00 -1.88 -3.41 103.07 97.33 1afv h GLY 61 Ca 0.26 -0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.28 1afv h GLY 61 CO 0.41 -0.52 -0.66 -2.38 0.00 0.00 0.00 176.54 173.39 1afv s HIS 62 N -5.86 -0.11 0.65 5.60 -3.43 -1.26 -5.02 115.29 105.87 1afv s HIS 62 Ca -0.12 0.48 0.13 0.00 -0.80 0.00 0.00 55.06 54.76 1afv s HIS 62 Cb 0.29 -0.30 0.65 0.00 -1.43 0.00 0.00 32.58 31.79 1afv s HIS 62 CO 0.78 -0.23 1.34 -0.56 -2.00 0.00 0.00 174.74 174.07 1afv h GLN 63 N 8.20 0.00 0.00 -0.38 -0.00 -1.97 -2.39 115.11 118.57 1afv h GLN 63 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.47 1afv h GLN 63 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.60 1afv h GLN 63 CO 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 178.83 179.02 1afv n ALA 64 N -1.75 -0.36 -0.16 0.06 0.00 -1.26 -1.81 120.51 115.23 1afv n ALA 64 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.37 1afv n ALA 64 Cb 0.88 0.10 -0.00 0.00 0.00 0.00 0.00 19.45 20.44 1afv n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1afv h ALA 65 N -1.80 0.65 -0.43 0.00 0.00 -1.88 -2.69 119.26 113.10 1afv h ALA 65 Ca 0.00 -0.31 0.13 0.00 0.00 0.00 0.00 54.91 54.73 1afv h ALA 65 Cb 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1afv h ALA 65 CO 0.00 0.50 0.46 0.52 0.00 0.00 0.00 179.25 180.73 1afv h MET 66 N 0.73 0.00 -0.05 0.00 2.07 -1.57 0.26 114.93 116.38 1afv h MET 66 Ca 0.13 0.00 -0.05 0.00 -2.07 0.00 0.00 59.70 57.71 1afv h MET 66 Cb 0.59 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.32 1afv h MET 66 CO 0.04 0.00 -0.17 0.37 1.07 0.00 0.00 176.91 178.22 1afv h GLN 67 N 0.00 0.20 -0.99 1.72 5.75 -1.00 0.04 115.11 120.83 1afv h GLN 67 Ca 0.21 -0.15 0.04 0.00 -0.15 0.00 0.00 58.65 58.60 1afv h GLN 67 Cb 1.12 0.03 -0.06 0.00 1.07 0.00 0.00 27.48 29.64 1afv h GLN 67 CO -0.00 0.78 0.64 0.52 -2.65 0.00 0.00 178.83 178.12 1afv h MET 68 N -0.35 1.20 -0.27 1.69 2.86 -0.56 0.20 114.93 119.70 1afv h MET 68 Ca -0.01 -0.07 -0.16 0.00 -2.06 0.00 0.00 59.70 57.40 1afv h MET 68 Cb 0.80 -0.27 -0.00 0.00 0.06 0.00 0.00 31.60 32.19 1afv h MET 68 CO 0.04 0.79 -0.46 1.25 1.06 0.00 0.00 176.91 179.59 1afv h LEU 69 N 1.24 0.87 0.16 1.22 6.46 -1.16 -2.85 115.31 121.25 1afv h LEU 69 Ca 0.40 -0.53 -0.01 0.00 -0.12 0.00 0.00 57.88 57.62 1afv h LEU 69 Cb 0.02 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 39.71 1afv h LEU 69 CO -0.13 1.23 -0.08 0.50 -0.62 0.00 0.00 178.44 179.34 1afv h LYS 70 N 0.54 -0.21 -0.80 1.25 3.64 -0.30 -1.77 116.57 118.92 1afv h LYS 70 Ca 0.02 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.55 1afv h LYS 70 Cb 1.06 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.84 1afv h LYS 70 CO 0.10 0.00 0.39 1.05 -2.27 0.00 0.00 179.45 178.73 1afv h GLU 71 N -0.39 0.57 -0.44 1.90 4.11 -0.69 -1.55 114.58 118.09 1afv h GLU 71 Ca -0.02 -0.03 -0.06 0.00 0.07 0.00 0.00 59.36 59.31 1afv h GLU 71 Cb 0.31 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1afv h GLU 71 CO 0.04 0.38 0.02 1.15 0.07 0.00 0.00 179.01 180.66 1afv h THR 72 N 0.58 1.26 -0.22 -1.06 2.02 -1.35 -1.28 112.91 112.86 1afv h THR 72 Ca 0.43 -1.00 0.03 0.00 0.77 0.00 0.00 66.41 66.64 1afv h THR 72 Cb 0.58 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 68.01 1afv h THR 72 CO -0.35 0.34 0.05 0.40 0.37 0.00 0.00 175.52 176.33 1afv h ILE 73 N 0.60 0.91 -0.41 3.11 1.08 -0.42 -0.45 117.51 121.94 1afv h ILE 73 Ca 0.13 -0.05 0.02 0.00 -0.39 0.00 0.00 64.86 64.57 1afv h ILE 73 Cb 0.46 0.75 -0.03 0.00 -3.07 0.00 0.00 36.82 34.93 1afv h ILE 73 CO 0.02 0.03 0.22 0.78 -0.69 0.00 0.00 178.15 178.51 1afv h ASN 74 N 0.14 0.34 -0.62 1.72 4.21 -1.12 0.16 115.58 120.42 1afv h ASN 74 Ca 0.10 0.01 -0.04 0.00 1.21 0.00 0.00 56.30 57.58 1afv h ASN 74 Cb 0.09 -0.06 -0.03 0.00 -1.12 0.00 0.00 38.32 37.21 1afv h ASN 74 CO -0.13 0.25 0.22 -0.33 -1.29 0.00 0.00 177.43 176.15 1afv h GLU 75 N 0.45 0.94 -0.46 0.81 5.08 -0.90 -0.25 114.58 120.25 1afv h GLU 75 Ca 0.17 -0.19 -0.13 0.00 -1.00 0.00 0.00 59.36 58.21 1afv h GLU 75 Cb 0.05 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1afv h GLU 75 CO -0.10 0.81 -0.23 0.93 -1.00 0.00 0.00 179.01 179.42 1afv h GLU 76 N 0.87 0.97 -0.76 2.33 4.39 -0.73 -0.75 114.58 120.90 1afv h GLU 76 Ca 0.20 -0.42 -0.04 0.00 0.34 0.00 0.00 59.36 59.44 1afv h GLU 76 Cb 0.25 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 1afv h GLU 76 CO -0.01 1.09 0.31 0.00 -1.16 0.00 0.00 179.01 179.24 1afv h ALA 77 N 0.89 0.98 -0.37 3.43 0.00 -0.49 -1.08 119.26 122.62 1afv h ALA 77 Ca 0.10 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 1afv h ALA 77 Cb 0.81 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1afv h ALA 77 CO 0.07 0.60 -0.37 0.00 0.00 0.00 0.00 179.25 179.55 1afv h ALA 78 N 1.16 0.64 -0.18 0.00 0.00 -0.86 -2.77 119.26 117.25 1afv h ALA 78 Ca 0.25 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1afv h ALA 78 Cb 0.20 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1afv h ALA 78 CO -0.02 0.67 0.11 1.49 0.00 0.00 0.00 179.25 181.50 1afv h GLU 79 N 0.72 0.21 -0.87 0.00 4.57 -0.79 -0.74 114.58 117.69 1afv h GLU 79 Ca 0.06 -0.01 0.19 0.00 -1.18 0.00 0.00 59.36 58.42 1afv h GLU 79 Cb 0.95 -0.05 -0.11 0.00 -0.16 0.00 0.00 28.75 29.38 1afv h GLU 79 CO 0.09 0.14 0.41 2.35 -1.18 0.00 0.00 179.01 180.82 1afv h TRP 80 N 0.22 0.70 -0.52 0.92 2.91 -1.09 0.17 115.95 119.26 1afv h TRP 80 Ca 0.07 0.04 -0.10 0.00 1.13 0.00 0.00 58.89 60.03 1afv h TRP 80 Cb -0.01 -0.17 -0.02 0.00 -0.51 0.00 0.00 29.16 28.44 1afv h TRP 80 CO -0.07 0.06 -0.06 -0.44 -1.03 0.00 0.00 178.44 176.90 1afv h ASP 81 N 0.50 0.91 -0.03 2.65 3.32 -1.00 -2.70 116.42 120.06 1afv h ASP 81 Ca 0.51 -0.26 0.04 0.00 0.02 0.00 0.00 57.03 57.33 1afv h ASP 81 Cb 0.87 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 40.12 1afv h ASP 81 CO -0.45 1.00 -0.35 -0.09 -1.72 0.00 0.00 179.24 177.63 1afv h ARG 82 N 0.84 -0.47 -0.51 3.56 2.43 0.74 -0.75 114.38 120.23 1afv h ARG 82 Ca 0.15 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1afv h ARG 82 Cb 0.57 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1afv h ARG 82 CO 0.03 -0.31 0.00 1.47 -1.51 0.00 0.00 179.97 179.65 1afv n LEU 83 N -5.42 1.35 -3.28 3.80 -0.00 -1.05 -4.00 117.00 108.40 1afv n LEU 83 Ca -0.05 -0.68 -0.25 0.00 -0.00 0.00 0.00 56.01 55.03 1afv n LEU 83 Cb 0.34 -0.31 -0.07 0.00 -0.00 0.00 0.00 43.42 43.38 1afv n LEU 83 CO 0.17 0.26 -0.15 1.41 -0.00 0.00 0.00 177.39 179.09 1afv n HIS 84 N 0.03 1.27 0.00 1.47 8.25 -0.29 -4.97 115.22 120.98 1afv n HIS 84 Ca 0.05 -3.80 0.00 0.00 -0.26 0.00 0.00 57.72 53.71 1afv n HIS 84 Cb 0.28 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 30.95 1afv n HIS 84 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1afv n PRO 85 N 1.16 0.00 -2.11 -0.41 -0.04 -1.24 -4.69 135.00 127.66 1afv n PRO 85 Ca 0.25 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.56 1afv n PRO 85 Cb 0.48 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.42 1afv n PRO 85 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1afv n VAL 86 N -0.91 -0.48 -0.40 0.52 3.14 -1.26 -3.99 118.33 114.95 1afv n VAL 86 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1afv n VAL 86 Cb 0.00 -1.89 0.00 0.00 -1.06 0.00 0.00 33.84 30.89 1afv n VAL 86 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94 1afv n HIS 87 N -3.06 0.00 -0.95 1.45 -0.00 -1.26 0.76 115.22 112.16 1afv n HIS 87 Ca -0.17 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.01 1afv n HIS 87 Cb 0.59 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.46 1afv n HIS 87 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1afv n ALA 88 N 0.00 0.00 0.00 1.57 0.00 -1.26 -4.91 120.51 115.91 1afv n ALA 88 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1afv n ALA 88 Cb 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.11 1afv n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1afv n GLY 89 N -2.95 -2.79 2.64 0.00 0.00 0.23 -4.70 105.19 97.62 1afv n GLY 89 Ca 0.00 -1.26 -0.41 0.00 0.00 0.00 0.00 46.02 44.34 1afv n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1afv n PRO 90 N -1.30 3.28 -1.66 1.61 -0.04 -1.26 -4.96 135.00 130.67 1afv n PRO 90 Ca 0.00 -2.71 -0.49 0.00 -0.04 0.00 0.00 63.50 60.26 1afv n PRO 90 Cb 0.00 -3.08 -0.05 0.00 -0.04 0.00 0.00 33.50 30.33 1afv n PRO 90 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1afv n ILE 91 N 4.26 0.19 -1.25 0.52 -5.35 -1.26 -4.58 119.36 111.89 1afv n ILE 91 Ca 0.57 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 63.01 1afv n ILE 91 Cb 0.34 -1.48 0.00 0.00 -1.74 0.00 0.00 39.64 36.76 1afv n ILE 91 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1afv n ALA 92 N 4.33 -2.72 -1.96 -1.28 0.00 -1.26 -4.95 120.51 112.67 1afv n ALA 92 Ca 0.20 0.14 -0.42 0.00 0.00 0.00 0.00 53.44 53.35 1afv n ALA 92 Cb 0.26 -0.54 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 1afv n ALA 92 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1afv s PRO 93 N -1.84 4.18 0.00 0.00 0.04 -1.26 -4.04 135.00 132.08 1afv s PRO 93 Ca 0.00 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1afv s PRO 93 Cb 0.00 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.55 1afv s PRO 93 CO 0.00 -0.85 0.00 0.41 0.04 0.00 0.00 177.00 176.60 1afv n GLY 94 N 4.18 0.26 3.79 0.56 0.00 -1.26 -5.15 105.19 107.58 1afv n GLY 94 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1afv n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1afv s GLN 95 N 0.00 4.47 0.56 1.61 -2.07 -1.26 -4.95 119.66 118.02 1afv s GLN 95 Ca 0.00 1.12 0.31 0.00 -1.82 0.00 0.00 55.36 54.96 1afv s GLN 95 Cb 0.00 -2.97 1.46 0.00 -1.09 0.00 0.00 33.01 30.41 1afv s GLN 95 CO 0.00 0.41 1.85 1.98 -1.32 0.00 0.00 175.29 178.21 1afv h MET 96 N 3.60 0.00 -2.90 9.60 1.85 -2.01 -3.47 114.93 121.60 1afv h MET 96 Ca -0.47 0.00 0.11 0.00 -0.61 0.00 0.00 59.70 58.73 1afv h MET 96 Cb 1.20 0.00 -0.06 0.00 0.43 0.00 0.00 31.60 33.17 1afv h MET 96 CO 0.65 0.00 -0.87 2.89 -0.40 0.00 0.00 176.91 179.19 1afv n ARG 97 N -3.97 -3.03 -2.51 0.39 1.85 -1.26 -4.86 116.66 103.27 1afv n ARG 97 Ca 0.15 2.40 -0.41 0.00 -1.00 0.00 0.00 57.85 58.99 1afv n ARG 97 Cb 0.90 -3.15 -0.04 0.00 -1.05 0.00 0.00 32.46 29.13 1afv n ARG 97 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1afv s GLU 98 N -4.71 4.53 0.19 2.89 2.56 -1.26 -4.97 118.70 117.93 1afv s GLU 98 Ca 0.00 1.70 -0.32 0.00 0.00 0.00 0.00 54.97 56.35 1afv s GLU 98 Cb 0.00 -3.33 -0.11 0.00 2.00 0.00 0.00 34.13 32.69 1afv s GLU 98 CO 0.00 -0.06 1.65 -1.25 -0.56 0.00 0.00 175.26 175.04 1afv s PRO 99 N 0.32 4.17 0.31 4.30 0.04 -1.26 -5.01 135.00 137.87 1afv s PRO 99 Ca 0.53 2.49 0.03 0.00 0.04 0.00 0.00 61.00 64.09 1afv s PRO 99 Cb -0.28 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.11 1afv s PRO 99 CO 0.32 -0.69 0.48 0.50 0.04 0.00 0.00 177.00 177.65 1afv s ARG 100 N 1.20 3.38 0.22 4.56 3.52 -1.26 -4.88 118.95 125.69 1afv s ARG 100 Ca 0.73 -0.61 -0.09 0.00 -0.13 0.00 0.00 55.73 55.63 1afv s ARG 100 Cb -0.47 -2.76 0.35 0.00 -1.56 0.00 0.00 34.95 30.51 1afv s ARG 100 CO 0.32 0.21 1.67 0.78 -0.81 0.00 0.00 175.30 177.46 1afv h GLY 101 N 0.90 0.76 2.00 8.12 0.00 -1.93 0.52 103.07 113.44 1afv h GLY 101 Ca -0.50 0.05 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 1afv h GLY 101 CO 0.60 -0.20 -0.15 1.48 0.00 0.00 0.00 176.54 178.26 1afv h SER 102 N 0.16 0.00 0.01 0.19 4.64 -1.95 -0.34 113.55 116.25 1afv h SER 102 Ca 0.35 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1afv h SER 102 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1afv h SER 102 CO -0.53 0.15 -0.00 0.44 -0.87 0.00 0.00 176.83 176.02 1afv h ASP 103 N 0.00 -0.01 -0.47 4.97 5.19 -0.42 -0.83 116.42 124.85 1afv h ASP 103 Ca -0.00 -0.77 -0.00 0.00 -0.62 0.00 0.00 57.03 55.64 1afv h ASP 103 Cb 0.44 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.93 1afv h ASP 103 CO 0.02 0.78 0.30 0.40 -3.12 0.00 0.00 179.24 177.62 1afv h ILE 104 N -0.82 1.13 0.00 0.35 2.04 -0.29 0.26 117.51 120.19 1afv h ILE 104 Ca -0.00 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1afv h ILE 104 Cb 0.78 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1afv h ILE 104 CO 0.00 0.14 0.00 0.00 0.00 0.00 0.00 178.15 178.29 1afv h ALA 105 N 1.67 1.00 0.00 1.87 0.00 -1.09 -3.43 119.26 119.27 1afv h ALA 105 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1afv h ALA 105 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1afv h ALA 105 CO -0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.63 1afv n GLY 106 N 0.35 3.34 0.31 0.00 0.00 0.08 -4.88 105.19 104.39 1afv n GLY 106 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 1afv n GLY 106 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1afv h THR 107 N 0.00 1.20 -0.05 2.61 1.35 -1.41 -3.21 112.91 113.39 1afv h THR 107 Ca 0.00 -0.61 -0.04 0.00 -0.55 0.00 0.00 66.41 65.21 1afv h THR 107 Cb 0.00 0.52 -0.03 0.00 -1.73 0.00 0.00 68.15 66.91 1afv h THR 107 CO 0.00 0.24 -0.53 0.35 -0.25 0.00 0.00 175.52 175.34 1afv n THR 108 N -4.34 2.20 -4.28 6.82 -2.24 -0.66 -4.99 114.28 106.79 1afv n THR 108 Ca 0.05 -3.28 -0.18 0.00 -2.27 0.00 0.00 64.05 58.37 1afv n THR 108 Cb 0.15 -0.28 -0.15 0.00 -2.10 0.00 0.00 70.33 67.96 1afv n THR 108 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1afv s SER 109 N -3.25 0.89 0.39 3.42 1.04 -1.22 -4.64 113.70 110.34 1afv s SER 109 Ca 0.39 -0.14 -0.09 0.00 0.48 0.00 0.00 55.95 56.59 1afv s SER 109 Cb 0.37 -0.15 -0.06 0.00 0.10 0.00 0.00 66.02 66.29 1afv s SER 109 CO -0.06 0.08 0.73 0.42 0.98 0.00 0.00 173.24 175.38 1afv s THR 110 N -0.04 4.83 0.28 2.02 -4.23 -1.26 -4.88 115.64 112.36 1afv s THR 110 Ca 0.01 0.50 0.02 0.00 -1.18 0.00 0.00 61.69 61.04 1afv s THR 110 Cb -0.04 -3.74 0.27 0.00 1.34 0.00 0.00 72.50 70.33 1afv s THR 110 CO -0.00 -0.50 1.72 0.25 -0.54 0.00 0.00 174.62 175.55 1afv h LEU 111 N 1.29 0.37 -0.56 4.79 7.12 -2.00 0.20 115.31 126.52 1afv h LEU 111 Ca -0.47 0.13 -0.01 0.00 0.13 0.00 0.00 57.88 57.66 1afv h LEU 111 Cb 1.19 0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 41.39 1afv h LEU 111 CO 0.64 0.06 0.29 1.56 -0.13 0.00 0.00 178.44 180.87 1afv h GLN 112 N 0.46 0.79 -0.12 1.25 1.08 -2.00 -2.40 115.11 114.17 1afv h GLN 112 Ca 0.52 -0.10 0.03 0.00 -1.45 0.00 0.00 58.65 57.65 1afv h GLN 112 Cb 0.91 -0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 28.15 1afv h GLN 112 CO -0.48 0.62 -0.10 0.93 -0.95 0.00 0.00 178.83 178.86 1afv h GLU 113 N 0.75 -0.10 -1.01 1.46 5.08 -1.02 0.16 114.58 119.90 1afv h GLU 113 Ca 0.19 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.69 1afv h GLU 113 Cb 0.07 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.26 1afv h GLU 113 CO -0.03 -0.07 0.63 1.96 -1.00 0.00 0.00 179.01 180.50 1afv h GLN 114 N -0.11 0.94 -0.13 2.33 4.20 -1.03 0.51 115.11 121.82 1afv h GLN 114 Ca 0.08 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1afv h GLN 114 Cb 0.22 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1afv h GLN 114 CO -0.19 0.62 0.05 0.82 -0.67 0.00 0.00 178.83 179.47 1afv h ILE 115 N 0.97 1.14 -0.69 2.54 1.08 -0.79 -1.84 117.51 119.91 1afv h ILE 115 Ca 0.51 -0.42 0.13 0.00 -0.39 0.00 0.00 64.86 64.69 1afv h ILE 115 Cb 0.55 1.19 -0.09 0.00 -3.07 0.00 0.00 36.82 35.39 1afv h ILE 115 CO -0.28 0.13 0.23 1.23 -0.69 0.00 0.00 178.15 178.76 1afv h GLY 116 N 0.06 0.99 1.31 5.37 0.00 0.10 0.64 103.07 111.54 1afv h GLY 116 Ca 0.04 -0.09 -0.10 0.00 0.00 0.00 0.00 47.33 47.18 1afv h GLY 116 CO -0.00 -0.11 -0.14 1.49 0.00 0.00 0.00 176.54 177.78 1afv h TRP 117 N 0.36 0.90 0.00 5.60 6.55 -1.07 -2.46 115.95 125.83 1afv h TRP 117 Ca 0.37 -0.18 0.00 0.00 0.95 0.00 0.00 58.89 60.04 1afv h TRP 117 Cb 0.56 -0.23 0.00 0.00 -0.86 0.00 0.00 29.16 28.64 1afv h TRP 117 CO -0.20 0.90 0.00 -1.33 -1.05 0.00 0.00 178.44 176.75 1afv n MET 118 N -4.15 0.85 -3.05 0.49 2.81 0.06 -1.69 117.12 112.44 1afv n MET 118 Ca 0.01 0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 55.72 1afv n MET 118 Cb 0.39 -1.40 -0.02 0.00 -0.71 0.00 0.00 33.22 31.48 1afv n MET 118 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1afv n THR 119 N -0.90 -0.36 -3.72 2.03 -2.24 -0.30 -4.91 114.28 103.88 1afv n THR 119 Ca 0.16 -3.37 -0.10 0.00 -2.27 0.00 0.00 64.05 58.48 1afv n THR 119 Cb 0.07 -0.49 -0.05 0.00 -2.10 0.00 0.00 70.33 67.76 1afv n THR 119 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1afv s HIS 120 N -0.93 -0.06 -0.58 4.78 5.04 -1.20 -4.82 115.29 117.50 1afv s HIS 120 Ca 0.34 -0.28 -0.24 0.00 -1.54 0.00 0.00 55.06 53.34 1afv s HIS 120 Cb 0.24 0.18 0.05 0.00 0.04 0.00 0.00 32.58 33.09 1afv s HIS 120 CO -0.13 -0.70 0.96 0.54 -2.34 0.00 0.00 174.74 173.07 1afv s ASN 121 N -2.84 6.29 -0.07 9.88 4.22 -1.26 0.04 114.94 131.19 1afv s ASN 121 Ca 0.06 -0.51 -0.22 0.00 -2.14 0.00 0.00 52.86 50.04 1afv s ASN 121 Cb 0.02 -2.44 -0.04 0.00 1.28 0.00 0.00 41.25 40.08 1afv s ASN 121 CO -0.09 -1.30 0.63 -2.84 -2.04 0.00 0.00 177.10 171.45 1afv s PRO 122 N 4.05 4.40 -0.12 3.55 0.02 -1.26 -5.04 135.00 140.60 1afv s PRO 122 Ca 0.28 0.74 -0.31 0.00 0.02 0.00 0.00 61.00 61.74 1afv s PRO 122 Cb -0.13 -3.43 -0.09 0.00 0.02 0.00 0.00 34.50 30.87 1afv s PRO 122 CO 0.17 0.13 2.07 -0.35 -0.33 0.00 0.00 177.00 178.68 1afv n PRO 123 N 3.62 2.21 -2.86 5.54 -0.04 0.11 -4.94 135.00 138.64 1afv n PRO 123 Ca -0.03 0.74 -0.43 0.00 -0.04 0.00 0.00 63.50 63.73 1afv n PRO 123 Cb 0.51 -2.95 -0.04 0.00 -0.04 0.00 0.00 33.50 30.98 1afv n PRO 123 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1afv s ILE 124 N 6.04 4.43 -0.58 0.52 -1.09 -0.68 -4.94 121.20 124.89 1afv s ILE 124 Ca 0.96 0.23 -0.05 0.00 -2.23 0.00 0.00 60.65 59.56 1afv s ILE 124 Cb -0.50 -4.52 -0.10 0.00 -1.58 0.00 0.00 42.46 35.76 1afv s ILE 124 CO 0.43 -1.08 2.29 -0.81 -1.23 0.00 0.00 174.94 174.54 1afv n PRO 125 N 7.34 1.84 -0.32 2.79 -0.04 -1.26 -3.75 135.00 141.60 1afv n PRO 125 Ca 0.01 -1.16 0.17 0.00 -0.04 0.00 0.00 63.50 62.48 1afv n PRO 125 Cb 0.47 -2.21 0.34 0.00 -0.04 0.00 0.00 33.50 32.06 1afv n PRO 125 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1afv h VAL 126 N 2.97 0.12 -0.37 0.52 -1.51 -1.90 0.30 116.25 116.38 1afv h VAL 126 Ca 0.36 -0.03 -0.11 0.00 -1.23 0.00 0.00 66.70 65.70 1afv h VAL 126 Cb 0.49 0.04 -0.01 0.00 -2.13 0.00 0.00 31.29 29.67 1afv h VAL 126 CO 1.01 0.01 -0.19 1.23 -1.23 0.00 0.00 177.57 178.40 1afv h GLY 127 N 0.08 0.85 0.95 5.19 0.00 -1.84 -0.95 103.07 107.35 1afv h GLY 127 Ca 0.62 -0.78 -0.05 0.00 0.00 0.00 0.00 47.33 47.13 1afv h GLY 127 CO -0.80 0.71 0.09 -2.09 0.00 0.00 0.00 176.54 174.44 1afv h GLU 128 N 0.58 0.71 0.08 4.80 4.57 -0.77 0.28 114.58 124.82 1afv h GLU 128 Ca 0.08 -0.18 -0.00 0.00 -1.18 0.00 0.00 59.36 58.08 1afv h GLU 128 Cb 0.75 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 1afv h GLU 128 CO 0.06 0.72 -0.04 0.82 -1.18 0.00 0.00 179.01 179.39 1afv h ILE 129 N 0.57 0.99 -0.65 2.32 2.04 -0.75 -1.84 117.51 120.20 1afv h ILE 129 Ca 0.13 -0.21 0.02 0.00 1.00 0.00 0.00 64.86 65.80 1afv h ILE 129 Cb 0.35 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 1afv h ILE 129 CO 0.00 0.05 0.43 0.22 0.00 0.00 0.00 178.15 178.86 1afv h TYR 130 N -0.20 0.79 0.00 1.37 3.20 -1.03 0.44 116.97 121.54 1afv h TYR 130 Ca -0.01 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 1afv h TYR 130 Cb 0.17 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.17 1afv h TYR 130 CO -0.04 0.48 -0.13 -0.22 -1.64 0.00 0.00 178.16 176.61 1afv h LYS 131 N 0.84 0.00 0.01 1.82 3.64 0.05 -1.77 116.57 121.16 1afv h LYS 131 Ca 0.25 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.60 1afv h LYS 131 Cb -0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1afv h LYS 131 CO -0.06 0.13 -0.12 0.00 -2.27 0.00 0.00 179.45 177.13 1afv h ARG 132 N 0.00 0.07 -0.50 1.90 3.08 -0.10 -3.08 114.38 115.74 1afv h ARG 132 Ca -0.00 -0.08 0.07 0.00 0.07 0.00 0.00 59.98 60.03 1afv h ARG 132 Cb 0.37 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.39 1afv h ARG 132 CO 0.02 0.90 0.19 -1.49 -1.07 0.00 0.00 179.97 178.51 1afv h TRP 133 N -0.73 0.34 -0.19 3.04 6.55 -1.04 -1.58 115.95 122.34 1afv h TRP 133 Ca -0.02 0.02 0.03 0.00 0.95 0.00 0.00 58.89 59.88 1afv h TRP 133 Cb 0.94 -0.08 -0.03 0.00 -0.86 0.00 0.00 29.16 29.14 1afv h TRP 133 CO 0.21 0.12 0.01 0.82 -1.05 0.00 0.00 178.44 178.55 1afv h ILE 134 N 0.37 0.89 -0.98 1.49 2.04 -1.46 -1.55 117.51 118.31 1afv h ILE 134 Ca 0.24 -0.03 0.09 0.00 1.00 0.00 0.00 64.86 66.16 1afv h ILE 134 Cb 0.25 0.80 -0.07 0.00 -0.74 0.00 0.00 36.82 37.05 1afv h ILE 134 CO -0.24 0.01 0.63 0.40 0.00 0.00 0.00 178.15 178.96 1afv h ILE 135 N 0.08 1.02 -0.28 -0.67 2.04 -1.32 0.39 117.51 118.76 1afv h ILE 135 Ca 0.09 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 1afv h ILE 135 Cb 0.10 -0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.02 1afv h ILE 135 CO -0.14 0.20 0.08 -0.07 0.00 0.00 0.00 178.15 178.22 1afv h LEU 136 N 1.07 0.36 -0.16 1.44 4.07 -0.53 0.57 115.31 122.14 1afv h LEU 136 Ca 0.45 -0.04 -0.11 0.00 0.08 0.00 0.00 57.88 58.25 1afv h LEU 136 Cb 0.30 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 41.95 1afv h LEU 136 CO -0.20 0.37 -0.34 1.23 -1.08 0.00 0.00 178.44 178.42 1afv h GLY 137 N 0.61 0.57 0.90 0.83 0.00 0.60 -2.86 103.07 103.71 1afv h GLY 137 Ca 0.10 -0.68 -0.00 0.00 0.00 0.00 0.00 47.33 46.75 1afv h GLY 137 CO -0.01 0.61 0.04 1.41 0.00 0.00 0.00 176.54 178.59 1afv h LEU 138 N 0.15 0.10 -1.07 3.11 3.38 -0.07 -2.41 115.31 118.50 1afv h LEU 138 Ca 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1afv h LEU 138 Cb 0.94 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1afv h LEU 138 CO 0.08 0.19 0.00 -0.55 0.09 0.00 0.00 178.44 178.24 1afv h ASN 139 N -0.00 0.00 0.71 -0.43 -0.00 -0.99 -0.55 115.58 114.31 1afv h ASN 139 Ca 0.03 0.00 -0.26 0.00 -0.00 0.00 0.00 56.30 56.06 1afv h ASN 139 Cb 0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.43 1afv h ASN 139 CO -0.00 0.00 -1.22 0.11 -0.00 0.00 0.00 177.43 176.31 1afv h LYS 140 N 0.00 0.19 0.48 4.14 1.79 -1.24 -2.69 116.57 119.23 1afv h LYS 140 Ca 0.00 -0.32 -0.02 0.00 -2.18 0.00 0.00 60.65 58.13 1afv h LYS 140 Cb 0.35 0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1afv h LYS 140 CO 0.00 1.13 -0.23 0.82 -1.08 0.00 0.00 179.45 180.08 1afv h ILE 141 N 0.05 0.00 -0.91 1.86 2.04 -0.81 -2.43 117.51 117.32 1afv h ILE 141 Ca -0.12 -0.22 0.19 0.00 1.00 0.00 0.00 64.86 65.71 1afv h ILE 141 Cb 1.92 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 37.83 1afv h ILE 141 CO 0.18 0.00 -0.18 0.58 0.00 0.00 0.00 178.15 178.72 1afv h VAL 142 N -0.87 0.09 0.47 1.67 2.07 -1.21 0.10 116.25 118.56 1afv h VAL 142 Ca -0.07 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1afv h VAL 142 Cb 0.50 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1afv h VAL 142 CO 0.11 0.00 -0.36 -0.09 0.02 0.00 0.00 177.57 177.25 1afv h ARG 143 N 0.01 -0.76 -1.54 1.57 2.43 -1.48 -2.79 114.38 111.81 1afv h ARG 143 Ca 0.46 0.05 -0.22 0.00 -0.81 0.00 0.00 59.98 59.46 1afv h ARG 143 Cb 0.74 0.17 -0.10 0.00 -0.42 0.00 0.00 29.97 30.37 1afv h ARG 143 CO -0.92 -0.51 0.29 -1.33 -1.51 0.00 0.00 179.97 175.99 1afv n MET 144 N -4.58 1.55 0.00 0.20 2.81 -0.38 -4.54 117.12 112.18 1afv n MET 144 Ca -0.10 -1.10 0.00 0.00 -1.81 0.00 0.00 57.70 54.69 1afv n MET 144 Cb 0.34 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 31.42 1afv n MET 144 CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46 1afv n TYR 145 N 0.54 0.00 0.07 2.03 9.36 -0.12 -4.96 117.16 124.09 1afv n TYR 145 Ca 0.21 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.43 1afv n TYR 145 Cb 0.62 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.33 1afv n TYR 145 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1afv n SER 146 N 0.00 -1.34 -2.82 2.98 2.88 -1.17 -3.67 113.62 110.48 1afv n SER 146 Ca 0.00 0.35 -0.10 0.00 -1.33 0.00 0.00 58.87 57.79 1afv n SER 146 Cb 0.00 1.50 0.06 0.00 -0.75 0.00 0.00 64.21 65.02 1afv n SER 146 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1afv n PRO 147 N -2.69 -0.04 0.00 -1.46 -0.04 -1.26 -4.87 135.00 124.64 1afv n PRO 147 Ca 0.00 -0.88 0.00 0.00 -0.04 0.00 0.00 63.50 62.58 1afv n PRO 147 Cb 0.00 -0.37 0.00 0.00 -0.04 0.00 0.00 33.50 33.09 1afv n PRO 147 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1afv n THR 148 N -2.28 0.00 -2.67 0.52 -2.24 -1.26 -5.14 114.28 101.22 1afv n THR 148 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1afv n THR 148 Cb 0.21 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 67.61 1afv n THR 148 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1afv n SER 149 N -1.21 0.00 -3.90 3.42 7.64 -1.26 -5.05 113.62 113.27 1afv n SER 149 Ca 0.00 -0.49 -0.41 0.00 1.01 0.00 0.00 58.87 58.97 1afv n SER 149 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1afv n SER 149 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1afv n ILE 150 N 0.00 2.81 1.07 0.44 -5.35 -1.26 -5.28 119.36 111.79 1afv n ILE 150 Ca 0.00 -2.58 0.12 0.00 -0.27 0.00 0.00 62.75 60.03 1afv n ILE 150 Cb 0.00 -2.43 0.16 0.00 -1.74 0.00 0.00 39.64 35.63 1afv n ILE 150 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97