#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i6v n ALA 2 N 0.00 0.00 -3.67 3.04 0.00 -1.26 -5.19 120.51 113.44 1i6v n ALA 2 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1i6v n ALA 2 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1i6v n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1i6v n GLU 3 N 0.00 1.38 -0.23 0.00 -0.58 -1.26 -4.96 120.64 114.99 1i6v n GLU 3 Ca 0.00 -0.76 -0.03 0.00 -0.42 0.00 0.00 57.16 55.96 1i6v n GLU 3 Cb 0.00 0.10 -0.04 0.00 -0.57 0.00 0.00 31.44 30.93 1i6v n GLU 3 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1i6v n PRO 4 N -0.71 0.45 -0.71 3.49 -0.02 -1.26 -4.20 135.00 132.04 1i6v n PRO 4 Ca -0.01 -0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.26 1i6v n PRO 4 Cb 0.14 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1i6v n PRO 4 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i6v n GLY 5 N 2.76 0.50 0.29 -1.23 0.00 -1.26 -4.90 105.19 101.34 1i6v n GLY 5 Ca 0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 1i6v n GLY 5 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1i6v h ILE 6 N 0.00 0.27 -1.00 -0.61 1.08 -1.98 0.32 117.51 115.59 1i6v h ILE 6 Ca 0.00 0.00 0.24 0.00 -0.39 0.00 0.00 64.86 64.71 1i6v h ILE 6 Cb 0.35 0.27 -0.12 0.00 -3.07 0.00 0.00 36.82 34.26 1i6v h ILE 6 CO 0.00 0.00 0.60 0.44 -0.69 0.00 0.00 178.15 178.50 1i6v h ASP 7 N -0.07 0.69 -0.63 1.72 3.32 -1.95 0.23 116.42 119.74 1i6v h ASP 7 Ca 0.29 0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.47 1i6v h ASP 7 Cb 0.51 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 1i6v h ASP 7 CO -0.68 0.13 0.38 0.11 -1.72 0.00 0.00 179.24 177.47 1i6v h LYS 8 N 0.61 0.84 0.11 3.56 1.57 -0.75 -2.73 116.57 119.79 1i6v h LYS 8 Ca 0.63 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 59.34 1i6v h LYS 8 Cb 1.17 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1i6v h LYS 8 CO -0.46 0.60 -0.05 -0.07 -0.57 0.00 0.00 179.45 178.89 1i6v h LEU 9 N 0.85 -0.13 0.00 2.94 3.38 -0.36 -2.68 115.31 119.32 1i6v h LEU 9 Ca 0.23 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1i6v h LEU 9 Cb -0.04 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1i6v h LEU 9 CO -0.04 0.31 0.13 0.49 0.09 0.00 0.00 178.44 179.41 1i6v n PHE 10 N -4.96 0.00 -0.08 1.13 0.99 -0.00 -0.36 117.46 114.18 1i6v n PHE 10 Ca -0.09 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.27 1i6v n PHE 10 Cb 0.24 -0.25 -0.05 0.00 -1.00 0.00 0.00 39.48 38.42 1i6v n PHE 10 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1i6v h GLY 11 N 0.00 0.00 0.00 1.37 0.00 -1.16 -3.41 103.07 99.87 1i6v h GLY 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1i6v h GLY 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.57 1i6v n MET 12 N -4.59 0.00 -0.48 4.80 2.81 0.51 -4.61 117.12 115.55 1i6v n MET 12 Ca -0.13 0.67 -0.29 0.00 -1.81 0.00 0.00 57.70 56.15 1i6v n MET 12 Cb 0.35 -1.24 0.26 0.00 -0.71 0.00 0.00 33.22 31.88 1i6v n MET 12 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 1i6v n VAL 13 N -1.86 0.00 -0.07 2.03 0.24 -1.15 -5.01 118.33 112.51 1i6v n VAL 13 Ca 0.00 -0.46 -0.09 0.00 -2.04 0.00 0.00 64.34 61.75 1i6v n VAL 13 Cb 0.00 -0.96 -0.03 0.00 -1.47 0.00 0.00 33.84 31.38 1i6v n VAL 13 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1i6v n ASP 14 N -4.69 1.79 -4.55 -1.34 5.75 -1.26 -4.89 116.55 107.36 1i6v n ASP 14 Ca 0.02 0.30 -0.43 0.00 -0.01 0.00 0.00 54.79 54.67 1i6v n ASP 14 Cb 0.55 -0.67 -0.05 0.00 -1.03 0.00 0.00 41.12 39.92 1i6v n ASP 14 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1i6v s SER 15 N -6.00 6.44 0.44 -1.12 0.15 -1.26 -4.90 113.70 107.45 1i6v s SER 15 Ca -0.25 -0.04 0.28 0.00 0.70 0.00 0.00 55.95 56.64 1i6v s SER 15 Cb 0.04 -2.42 0.95 0.00 -1.71 0.00 0.00 66.02 62.89 1i6v s SER 15 CO 0.36 -1.01 1.06 1.17 1.20 0.00 0.00 173.24 176.03 1i6v n LYS 16 N 6.98 0.01 0.07 5.44 4.81 -1.26 0.40 118.16 134.61 1i6v n LYS 16 Ca 0.04 0.79 0.13 0.00 -0.87 0.00 0.00 58.31 58.39 1i6v n LYS 16 Cb 0.48 -1.90 0.35 0.00 0.02 0.00 0.00 35.03 33.99 1i6v n LYS 16 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1i6v n TYR 17 N -3.05 0.67 0.00 5.64 4.02 -1.26 -3.46 117.16 119.71 1i6v n TYR 17 Ca 0.25 0.19 0.00 0.00 -0.01 0.00 0.00 57.90 58.33 1i6v n TYR 17 Cb 1.32 -0.77 0.00 0.00 -0.02 0.00 0.00 39.34 39.86 1i6v n TYR 17 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 1i6v n ARG 18 N -2.09 0.00 -0.34 -0.72 0.63 1.30 -1.11 116.66 114.33 1i6v n ARG 18 Ca 0.05 0.40 0.10 0.00 -0.92 0.00 0.00 57.85 57.48 1i6v n ARG 18 Cb 0.42 -1.31 0.21 0.00 0.45 0.00 0.00 32.46 32.23 1i6v n ARG 18 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1i6v n LEU 19 N -1.69 -0.22 -0.06 6.15 7.94 -1.25 0.11 117.00 127.98 1i6v n LEU 19 Ca 0.00 1.64 -0.07 0.00 -1.11 0.00 0.00 56.01 56.46 1i6v n LEU 19 Cb 0.00 -0.55 -0.01 0.00 0.53 0.00 0.00 43.42 43.39 1i6v n LEU 19 CO 0.00 -1.62 0.77 0.74 -1.11 0.00 0.00 177.39 176.17 1i6v h THR 20 N 0.00 0.59 -0.24 1.96 2.02 -1.57 0.52 112.91 116.18 1i6v h THR 20 Ca 0.53 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.69 1i6v h THR 20 Cb 0.97 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1i6v h THR 20 CO -0.94 0.00 0.09 0.58 0.37 0.00 0.00 175.52 175.62 1i6v h VAL 21 N -0.10 1.18 -0.12 3.16 2.07 0.23 -2.01 116.25 120.66 1i6v h VAL 21 Ca 0.14 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 1i6v h VAL 21 Cb 0.31 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1i6v h VAL 21 CO -0.32 0.18 0.01 0.58 0.02 0.00 0.00 177.57 178.04 1i6v h VAL 22 N 0.23 1.24 -0.67 2.57 2.07 -0.66 -1.70 116.25 119.33 1i6v h VAL 22 Ca 0.08 -0.76 0.07 0.00 0.82 0.00 0.00 66.70 66.90 1i6v h VAL 22 Cb 0.20 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 1i6v h VAL 22 CO -0.01 0.22 0.44 0.58 0.02 0.00 0.00 177.57 178.83 1i6v h VAL 23 N -0.04 0.99 0.70 2.57 2.07 -0.93 0.11 116.25 121.72 1i6v h VAL 23 Ca 0.04 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1i6v h VAL 23 Cb 0.33 0.29 0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1i6v h VAL 23 CO 0.00 0.12 -0.34 0.00 0.02 0.00 0.00 177.57 177.37 1i6v h ALA 24 N 1.64 -0.94 -0.77 1.67 0.00 -1.06 -2.14 119.26 117.66 1i6v h ALA 24 Ca 0.29 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1i6v h ALA 24 Cb 0.32 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1i6v h ALA 24 CO -0.09 -0.89 0.32 -0.22 0.00 0.00 0.00 179.25 178.37 1i6v h LYS 25 N -1.21 1.14 0.00 0.00 3.11 -1.22 0.25 116.57 118.64 1i6v h LYS 25 Ca -0.10 -0.20 0.00 0.00 -2.81 0.00 0.00 60.65 57.55 1i6v h LYS 25 Cb 0.74 -0.19 0.00 0.00 -1.00 0.00 0.00 32.23 31.78 1i6v h LYS 25 CO 0.16 0.92 0.00 -2.13 -2.81 0.00 0.00 179.45 175.59 1i6v n ARG 26 N -4.32 0.00 -0.13 1.90 3.00 0.39 0.94 116.66 118.44 1i6v n ARG 26 Ca 0.07 0.79 0.24 0.00 -0.00 0.00 0.00 57.85 58.95 1i6v n ARG 26 Cb 0.17 -1.46 0.68 0.00 0.00 0.00 0.00 32.46 31.86 1i6v n ARG 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1i6v h ALA 27 N -1.39 2.64 -0.27 5.13 0.00 -1.34 0.11 119.26 124.14 1i6v h ALA 27 Ca 0.00 -0.02 -0.51 0.00 0.00 0.00 0.00 54.91 54.38 1i6v h ALA 27 Cb 0.00 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.75 1i6v h ALA 27 CO 0.00 -0.87 1.50 0.94 0.00 0.00 0.00 179.25 180.83 1i6v n GLN 28 N -4.34 3.11 0.00 0.00 7.27 0.27 -2.04 117.38 121.65 1i6v n GLN 28 Ca 0.16 -2.18 0.00 0.00 0.07 0.00 0.00 57.00 55.05 1i6v n GLN 28 Cb 0.80 -2.38 0.00 0.00 2.41 0.00 0.00 30.24 31.07 1i6v n GLN 28 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1i6v n GLN 29 N 2.21 0.00 0.00 3.69 -0.06 -0.60 -4.76 117.38 117.86 1i6v n GLN 29 Ca 0.58 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.58 1i6v n GLN 29 Cb 0.51 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.69 1i6v n GLN 29 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 1i6v n LEU 30 N 0.00 0.00 -0.73 1.69 7.94 0.28 -4.34 117.00 121.84 1i6v n LEU 30 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1i6v n LEU 30 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1i6v n LEU 30 CO 0.00 0.00 0.00 0.18 -1.11 0.00 0.00 177.39 176.46 1i6v n LEU 31 N 0.00 0.00 -0.02 -1.96 4.32 -1.25 -1.50 117.00 116.59 1i6v n LEU 31 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.90 1i6v n LEU 31 Cb 0.00 0.00 -0.14 0.00 -1.62 0.00 0.00 43.42 41.66 1i6v n LEU 31 CO 0.00 0.00 -0.57 -2.11 -1.22 0.00 0.00 177.39 173.49 1i6v n ARG 32 N 0.65 0.64 0.00 3.23 -4.01 -1.19 -4.82 116.66 111.17 1i6v n ARG 32 Ca 0.00 0.28 0.00 0.00 -1.04 0.00 0.00 57.85 57.09 1i6v n ARG 32 Cb 0.00 -1.78 0.00 0.00 -3.04 0.00 0.00 32.46 27.64 1i6v n ARG 32 CO 0.00 0.00 0.00 0.72 -3.04 0.00 0.00 177.63 175.31 1i6v n HIS 33 N -3.06 0.00 0.00 2.89 8.25 -0.56 -4.90 115.22 117.84 1i6v n HIS 33 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1i6v n HIS 33 Cb 1.06 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.17 1i6v n HIS 33 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1i6v n ARG 34 N -0.89 0.62 0.00 -0.41 3.00 -1.17 -4.78 116.66 113.03 1i6v n ARG 34 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1i6v n ARG 34 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1i6v n ARG 34 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1i6v n PHE 35 N 0.00 0.00 -2.61 -1.55 3.72 -1.26 -4.41 117.46 111.35 1i6v n PHE 35 Ca 0.00 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.99 1i6v n PHE 35 Cb 0.00 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.56 1i6v n PHE 35 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1i6v n LYS 36 N 0.00 5.37 -0.17 -1.08 -0.00 -1.26 -4.01 118.16 117.01 1i6v n LYS 36 Ca 0.00 -4.63 0.01 0.00 -0.00 0.00 0.00 58.31 53.69 1i6v n LYS 36 Cb 0.00 -2.47 0.01 0.00 -0.00 0.00 0.00 35.03 32.57 1i6v n LYS 36 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1i6v n ASN 37 N -0.06 0.32 -4.57 -5.58 3.02 -1.26 -5.09 115.26 102.04 1i6v n ASN 37 Ca 0.47 -1.54 -0.29 0.00 -0.03 0.00 0.00 54.58 53.19 1i6v n ASN 37 Cb 0.26 -0.09 0.21 0.00 -0.61 0.00 0.00 39.78 39.55 1i6v n ASN 37 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1i6v s THR 38 N -0.26 2.12 0.00 3.41 2.01 -1.26 -4.94 115.64 116.73 1i6v s THR 38 Ca 0.02 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.06 1i6v s THR 38 Cb 0.02 -2.17 0.00 0.00 0.01 0.00 0.00 72.50 70.35 1i6v s THR 38 CO 0.00 -0.05 0.00 0.52 -0.69 0.00 0.00 174.62 174.40 1i6v n VAL 39 N -4.59 0.00 -0.16 3.82 0.31 -1.26 -4.81 118.33 111.63 1i6v n VAL 39 Ca 0.06 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.44 1i6v n VAL 39 Cb 0.54 1.37 0.14 0.00 -0.91 0.00 0.00 33.84 34.99 1i6v n VAL 39 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1i6v n LEU 40 N 0.00 2.87 0.00 7.52 4.77 -1.26 -4.67 117.00 126.23 1i6v n LEU 40 Ca 0.00 -1.99 0.12 0.00 -0.03 0.00 0.00 56.01 54.10 1i6v n LEU 40 Cb 0.24 -0.22 0.59 0.00 -2.33 0.00 0.00 43.42 41.70 1i6v n LEU 40 CO 0.00 0.72 0.89 -0.62 -1.33 0.00 0.00 177.39 177.04 1i6v n GLU 41 N 0.46 0.33 -0.13 3.23 -0.58 -1.26 0.39 120.64 123.08 1i6v n GLU 41 Ca 0.11 0.06 -0.13 0.00 -0.42 0.00 0.00 57.16 56.79 1i6v n GLU 41 Cb 0.42 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.76 1i6v n GLU 41 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1i6v h PRO 42 N 0.00 0.89 0.00 3.49 0.13 -2.00 -3.44 132.00 131.07 1i6v h PRO 42 Ca 0.00 -0.44 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1i6v h PRO 42 Cb 0.23 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.36 1i6v h PRO 42 CO 0.00 1.08 0.00 -0.85 -0.23 0.00 0.00 178.00 178.00 1i6v n GLU 43 N -4.14 0.00 -1.94 0.86 0.00 -1.25 -4.99 120.64 109.18 1i6v n GLU 43 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 57.16 56.85 1i6v n GLU 43 Cb 0.49 0.00 0.03 0.00 0.00 0.00 0.00 31.44 31.96 1i6v n GLU 43 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1i6v n GLU 44 N 0.00 3.27 -3.80 3.44 0.28 -1.07 -5.03 120.64 117.73 1i6v n GLU 44 Ca 0.00 -3.96 -0.37 0.00 -0.16 0.00 0.00 57.16 52.67 1i6v n GLU 44 Cb 0.00 -2.28 -0.06 0.00 1.43 0.00 0.00 31.44 30.54 1i6v n GLU 44 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1i6v s ARG 45 N -3.69 3.54 0.10 3.44 1.81 0.16 -4.60 118.95 119.70 1i6v s ARG 45 Ca 0.54 -0.02 -0.31 0.00 -1.72 0.00 0.00 55.73 54.22 1i6v s ARG 45 Cb 0.43 -3.19 -0.10 0.00 -0.45 0.00 0.00 34.95 31.64 1i6v s ARG 45 CO -0.07 0.76 1.82 -2.14 -0.68 0.00 0.00 175.30 175.00 1i6v s PRO 46 N -1.06 4.15 0.15 3.54 0.02 -1.26 -5.01 135.00 135.53 1i6v s PRO 46 Ca 0.17 2.55 0.05 0.00 0.02 0.00 0.00 61.00 63.79 1i6v s PRO 46 Cb -0.13 -3.70 -0.04 0.00 0.02 0.00 0.00 34.50 30.65 1i6v s PRO 46 CO 0.06 -0.85 -0.11 0.15 -0.33 0.00 0.00 177.00 175.93 1i6v s LYS 47 N 3.05 1.07 0.00 5.54 1.02 -1.26 -3.88 119.74 125.28 1i6v s LYS 47 Ca 0.81 -1.45 0.00 0.00 0.02 0.00 0.00 55.97 55.35 1i6v s LYS 47 Cb -0.44 -0.67 0.00 0.00 -0.52 0.00 0.00 37.83 36.20 1i6v s LYS 47 CO 0.36 0.09 0.00 -0.12 -0.92 0.00 0.00 175.35 174.76 1i6v n MET 48 N -0.17 1.08 0.00 1.68 0.00 -1.18 -4.76 117.12 113.78 1i6v n MET 48 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.60 1i6v n MET 48 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.82 1i6v n MET 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1i6v n ARG 49 N 0.00 0.00 -3.64 2.12 1.74 -1.25 -4.52 116.66 111.11 1i6v n ARG 49 Ca 0.00 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.00 1i6v n ARG 49 Cb 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.37 1i6v n ARG 49 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1i6v s THR 50 N 0.00 0.00 0.00 0.55 2.01 0.20 -4.96 115.64 113.44 1i6v s THR 50 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1i6v s THR 50 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 1i6v s THR 50 CO 0.00 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 173.93 1i6v n LEU 51 N 3.60 0.00 -1.31 4.42 -0.00 -1.26 0.15 117.00 122.60 1i6v n LEU 51 Ca -0.18 0.00 0.06 0.00 -0.00 0.00 0.00 56.01 55.89 1i6v n LEU 51 Cb 0.57 0.00 0.26 0.00 -0.00 0.00 0.00 43.42 44.26 1i6v n LEU 51 CO 0.00 0.00 0.68 -1.84 -0.00 0.00 0.00 177.39 176.23 1i6v n GLU 52 N 0.00 3.24 0.00 1.47 -0.00 -1.26 -5.05 120.64 119.04 1i6v n GLU 52 Ca 0.00 -2.06 0.00 0.00 -0.00 0.00 0.00 57.16 55.10 1i6v n GLU 52 Cb 0.00 -1.85 0.00 0.00 -0.00 0.00 0.00 31.44 29.59 1i6v n GLU 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1i6v n GLY 53 N 0.68 -0.03 1.53 -1.84 0.00 0.12 -5.05 105.19 100.60 1i6v n GLY 53 Ca 0.18 -1.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.12 1i6v n GLY 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i6v n LEU 54 N 0.00 0.00 0.00 0.99 4.32 -1.26 0.60 117.00 121.65 1i6v n LEU 54 Ca 0.00 -0.53 0.00 0.00 -0.02 0.00 0.00 56.01 55.46 1i6v n LEU 54 Cb 0.00 -0.42 0.00 0.00 -1.62 0.00 0.00 43.42 41.38 1i6v n LEU 54 CO 0.00 -1.28 0.00 -1.22 -1.22 0.00 0.00 177.39 173.67 1i6v n TYR 55 N -3.24 0.00 -0.66 -1.77 0.53 -1.26 -4.75 117.16 106.01 1i6v n TYR 55 Ca 0.07 0.00 -0.24 0.00 -1.02 0.00 0.00 57.90 56.71 1i6v n TYR 55 Cb 0.25 0.00 -0.02 0.00 -1.03 0.00 0.00 39.34 38.53 1i6v n TYR 55 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 1i6v n ASP 56 N 0.00 -0.41 -4.72 7.72 9.92 -1.25 -3.08 116.55 124.73 1i6v n ASP 56 Ca 0.00 0.53 -0.41 0.00 -0.53 0.00 0.00 54.79 54.38 1i6v n ASP 56 Cb 0.00 -0.44 -0.04 0.00 -0.64 0.00 0.00 41.12 40.00 1i6v n ASP 56 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 1i6v s ASP 57 N -0.33 7.15 0.64 -2.24 -4.77 -1.26 -4.78 116.67 111.09 1i6v s ASP 57 Ca 0.33 1.39 0.25 0.00 -3.30 0.00 0.00 52.55 51.23 1i6v s ASP 57 Cb -0.48 -2.48 1.32 0.00 -1.09 0.00 0.00 42.92 40.20 1i6v s ASP 57 CO 0.26 -0.16 1.75 -0.65 0.70 0.00 0.00 175.17 177.07 1i6v h PRO 58 N 6.70 0.00 -5.86 2.11 0.11 -1.98 -3.41 132.00 129.66 1i6v h PRO 58 Ca -0.41 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.13 1i6v h PRO 58 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1i6v h PRO 58 CO 0.75 0.00 1.53 -1.71 -0.21 0.00 0.00 178.00 178.36 1i6v n ASN 59 N -3.05 2.79 -0.00 -2.05 5.15 -1.26 -4.85 115.26 111.98 1i6v n ASN 59 Ca 0.02 0.04 -0.12 0.00 -0.60 0.00 0.00 54.58 53.91 1i6v n ASN 59 Cb 0.59 -1.51 -0.08 0.00 -0.53 0.00 0.00 39.78 38.25 1i6v n ASN 59 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1i6v h ALA 60 N 15.87 0.05 -1.05 5.20 0.00 -1.92 -3.03 119.26 134.38 1i6v h ALA 60 Ca -0.34 -0.14 0.27 0.00 0.00 0.00 0.00 54.91 54.70 1i6v h ALA 60 Cb 1.26 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.94 1i6v h ALA 60 CO 1.03 -0.31 0.66 -0.39 0.00 0.00 0.00 179.25 180.25 1i6v h VAL 61 N -0.20 0.50 0.00 0.00 -1.51 -1.89 -2.65 116.25 110.50 1i6v h VAL 61 Ca 0.01 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 65.34 1i6v h VAL 61 Cb 0.28 0.06 0.00 0.00 -2.13 0.00 0.00 31.29 29.50 1i6v h VAL 61 CO 0.00 0.07 0.00 0.41 -1.23 0.00 0.00 177.57 176.83 1i6v n THR 62 N -4.68 0.00 -0.26 7.19 -1.04 -1.14 -1.42 114.28 112.93 1i6v n THR 62 Ca 0.26 1.35 -0.09 0.00 -2.04 0.00 0.00 64.05 63.54 1i6v n THR 62 Cb 0.89 -2.00 -0.07 0.00 -1.82 0.00 0.00 70.33 67.32 1i6v n THR 62 CO 0.00 0.00 0.00 -0.50 -0.64 0.00 0.00 175.07 173.93 1i6v h TRP 63 N 0.00 -1.36 -0.03 -1.42 4.06 -1.61 -1.98 115.95 113.62 1i6v h TRP 63 Ca 0.00 0.09 0.00 0.00 2.06 0.00 0.00 58.89 61.04 1i6v h TRP 63 Cb 0.00 0.68 -0.00 0.00 -1.00 0.00 0.00 29.16 28.83 1i6v h TRP 63 CO -0.41 -0.29 -0.02 0.00 -3.56 0.00 0.00 178.44 174.16 1i6v n ALA 64 N -3.14 -0.02 -0.30 1.49 0.00 -0.96 0.28 120.51 117.87 1i6v n ALA 64 Ca 0.01 0.02 0.35 0.00 0.00 0.00 0.00 53.44 53.81 1i6v n ALA 64 Cb 0.20 0.32 0.73 0.00 0.00 0.00 0.00 19.45 20.70 1i6v n ALA 64 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1i6v h MET 65 N 0.00 0.00 0.04 0.00 2.86 -0.49 1.39 114.93 118.74 1i6v h MET 65 Ca 0.00 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.32 1i6v h MET 65 Cb 0.01 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.63 1i6v h MET 65 CO -0.02 0.00 -1.86 1.63 1.06 0.00 0.00 176.91 177.71 1i6v n LYS 66 N -4.01 0.68 0.08 1.72 5.02 0.80 -2.97 118.16 119.48 1i6v n LYS 66 Ca 0.25 0.27 0.13 0.00 -2.02 0.00 0.00 58.31 56.93 1i6v n LYS 66 Cb 1.27 -1.75 0.47 0.00 -0.02 0.00 0.00 35.03 35.00 1i6v n LYS 66 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1i6v n GLU 67 N -3.19 0.17 -0.05 1.97 2.13 0.79 -3.14 120.64 119.32 1i6v n GLU 67 Ca -0.24 0.20 -0.03 0.00 0.66 0.00 0.00 57.16 57.75 1i6v n GLU 67 Cb 1.05 -1.72 -0.15 0.00 0.27 0.00 0.00 31.44 30.90 1i6v n GLU 67 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1i6v n LEU 68 N -2.01 0.24 0.00 4.31 7.94 0.43 -3.84 117.00 124.07 1i6v n LEU 68 Ca 0.05 0.11 0.13 0.00 -1.11 0.00 0.00 56.01 55.19 1i6v n LEU 68 Cb 0.35 0.28 0.61 0.00 0.53 0.00 0.00 43.42 45.19 1i6v n LEU 68 CO 0.26 0.31 0.94 -0.11 -1.11 0.00 0.00 177.39 177.68 1i6v n LEU 69 N -2.69 0.00 0.00 -1.96 7.94 -1.16 -4.55 117.00 114.58 1i6v n LEU 69 Ca -0.21 0.43 0.00 0.00 -1.11 0.00 0.00 56.01 55.12 1i6v n LEU 69 Cb 0.96 -0.43 0.00 0.00 0.53 0.00 0.00 43.42 44.48 1i6v n LEU 69 CO 0.44 -0.04 0.00 0.41 -1.11 0.00 0.00 177.39 177.09 1i6v n THR 70 N -1.43 0.00 0.00 1.96 -1.04 -1.19 -5.07 114.28 107.51 1i6v n THR 70 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1i6v n THR 70 Cb 0.28 -0.14 0.00 0.00 -1.82 0.00 0.00 70.33 68.65 1i6v n THR 70 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1i6v n GLY 71 N 3.27 0.13 0.00 3.41 0.00 -1.26 -5.13 105.19 105.60 1i6v n GLY 71 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1i6v n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i6v n ARG 72 N -1.50 -1.43 -0.13 1.61 5.12 -1.26 -4.94 116.66 114.12 1i6v n ARG 72 Ca 0.00 0.00 0.02 0.00 -1.93 0.00 0.00 57.85 55.94 1i6v n ARG 72 Cb 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.29 1i6v n ARG 72 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1i6v n LEU 73 N 0.00 -0.09 -3.88 0.55 4.77 -1.26 -4.92 117.00 112.17 1i6v n LEU 73 Ca 0.00 0.21 -0.09 0.00 -0.03 0.00 0.00 56.01 56.10 1i6v n LEU 73 Cb 0.00 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 40.80 1i6v n LEU 73 CO 0.00 -0.19 0.42 -0.36 -1.33 0.00 0.00 177.39 175.92 1i6v s PHE 74 N -3.06 0.17 -0.30 -1.77 0.40 -1.26 -5.19 117.98 106.98 1i6v s PHE 74 Ca 0.00 -0.69 -0.17 0.00 -0.60 0.00 0.00 56.93 55.48 1i6v s PHE 74 Cb 0.00 0.60 0.19 0.00 0.51 0.00 0.00 43.02 44.32 1i6v s PHE 74 CO 0.00 -1.34 1.17 -0.59 0.70 0.00 0.00 175.22 175.16 1i6v s PHE 75 N -3.13 -0.25 0.00 0.36 -0.12 -1.26 -5.10 117.98 108.49 1i6v s PHE 75 Ca 0.17 0.47 0.00 0.00 -0.05 0.00 0.00 56.93 57.52 1i6v s PHE 75 Cb -0.04 0.15 0.00 0.00 -0.63 0.00 0.00 43.02 42.50 1i6v s PHE 75 CO 0.11 -0.12 0.00 0.41 -0.05 0.00 0.00 175.22 175.57 1i6v n GLY 76 N 3.70 -0.60 0.62 1.99 0.00 -1.26 -4.88 105.19 104.76 1i6v n GLY 76 Ca -0.15 0.39 0.07 0.00 0.00 0.00 0.00 46.02 46.32 1i6v n GLY 76 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1i6v n GLU 77 N 0.00 2.77 -2.43 1.61 4.07 -1.26 -5.02 120.64 120.37 1i6v n GLU 77 Ca 0.00 -2.35 -0.35 0.00 -0.06 0.00 0.00 57.16 54.40 1i6v n GLU 77 Cb 0.00 -1.48 -0.02 0.00 -0.06 0.00 0.00 31.44 29.87 1i6v n GLU 77 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 1i6v s ASN 78 N -1.53 6.20 0.00 4.31 3.84 -1.26 -3.48 114.94 123.02 1i6v s ASN 78 Ca 0.29 2.05 0.00 0.00 0.21 0.00 0.00 52.86 55.41 1i6v s ASN 78 Cb 0.21 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 38.33 1i6v s ASN 78 CO 0.10 -0.88 0.00 0.18 -2.79 0.00 0.00 177.10 173.71 1i6v n LEU 79 N -0.89 0.04 0.00 3.21 4.77 -1.26 -4.91 117.00 117.95 1i6v n LEU 79 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1i6v n LEU 79 Cb 0.51 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1i6v n LEU 79 CO 0.42 -0.02 0.00 0.55 -1.33 0.00 0.00 177.39 177.01 1i6v n VAL 80 N -2.00 0.00 -1.67 4.08 3.14 -1.23 -4.46 118.33 116.19 1i6v n VAL 80 Ca 0.00 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.03 1i6v n VAL 80 Cb 0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.75 1i6v n VAL 80 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1i6v s PRO 81 N 0.00 2.19 0.52 1.45 0.04 -1.26 -4.73 135.00 133.21 1i6v s PRO 81 Ca 0.00 1.16 0.22 0.00 0.04 0.00 0.00 61.00 62.42 1i6v s PRO 81 Cb 0.00 -4.56 1.34 0.00 0.04 0.00 0.00 34.50 31.32 1i6v s PRO 81 CO 0.00 -3.22 2.04 1.05 0.04 0.00 0.00 177.00 176.91 1i6v h GLU 82 N 18.17 0.02 0.65 4.56 4.11 -1.97 0.55 114.58 140.66 1i6v h GLU 82 Ca -0.23 -0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.17 1i6v h GLU 82 Cb 1.23 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.48 1i6v h GLU 82 CO 1.17 0.01 -0.31 -0.44 0.07 0.00 0.00 179.01 179.51 1i6v h ASP 83 N 0.02 -0.74 0.05 3.06 3.32 -1.93 -1.97 116.42 118.23 1i6v h ASP 83 Ca 0.17 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1i6v h ASP 83 Cb 0.67 0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.41 1i6v h ASP 83 CO -0.01 -0.49 0.00 0.54 -1.72 0.00 0.00 179.24 177.56 1i6v n ARG 84 N -4.53 0.38 0.16 3.56 1.74 -0.55 -0.16 116.66 117.26 1i6v n ARG 84 Ca -0.11 0.03 0.07 0.00 -0.77 0.00 0.00 57.85 57.07 1i6v n ARG 84 Cb 0.34 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.35 1i6v n ARG 84 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1i6v h LEU 85 N 0.00 0.00 0.00 0.55 5.85 0.82 -3.06 115.31 119.47 1i6v h LEU 85 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1i6v h LEU 85 Cb 0.03 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 1i6v h LEU 85 CO 0.00 0.26 -1.14 0.00 -0.34 0.00 0.00 178.44 177.22 1i6v n GLN 86 N -3.09 0.44 -0.23 1.25 1.13 -0.20 -4.53 117.38 112.14 1i6v n GLN 86 Ca 0.01 -0.02 -0.07 0.00 -1.94 0.00 0.00 57.00 54.98 1i6v n GLN 86 Cb 0.65 -1.07 0.04 0.00 0.11 0.00 0.00 30.24 29.96 1i6v n GLN 86 CO 0.00 0.00 0.00 1.57 -1.44 0.00 0.00 177.06 177.19 1i6v h LYS 87 N 0.00 1.03 0.00 -1.09 5.09 -0.65 0.29 116.57 121.23 1i6v h LYS 87 Ca -0.01 -0.23 0.00 0.00 0.09 0.00 0.00 60.65 60.50 1i6v h LYS 87 Cb 0.24 -0.14 0.00 0.00 0.10 0.00 0.00 32.23 32.42 1i6v h LYS 87 CO 0.00 0.90 0.00 1.05 -2.09 0.00 0.00 179.45 179.31 1i6v h GLU 88 N 0.95 0.00 0.00 0.07 4.11 -1.78 0.14 114.58 118.08 1i6v h GLU 88 Ca 0.21 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.63 1i6v h GLU 88 Cb 0.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1i6v h GLU 88 CO -0.00 0.00 -0.04 0.52 0.07 0.00 0.00 179.01 179.56 1i6v h MET 89 N 0.00 0.00 -0.03 1.06 2.86 -1.17 -2.58 114.93 115.07 1i6v h MET 89 Ca 0.00 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.41 1i6v h MET 89 Cb 0.15 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.82 1i6v h MET 89 CO 0.00 0.04 -0.92 1.49 1.06 0.00 0.00 176.91 178.58 1i6v h GLU 90 N 0.00 0.52 -0.06 1.72 4.81 -0.69 -2.86 114.58 118.01 1i6v h GLU 90 Ca -0.00 -0.52 0.02 0.00 -0.13 0.00 0.00 59.36 58.73 1i6v h GLU 90 Cb 0.62 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.14 1i6v h GLU 90 CO 0.00 1.15 0.20 -0.09 -0.73 0.00 0.00 179.01 179.55 1i6v h ARG 91 N 0.31 0.00 -3.38 1.92 2.43 -1.49 -3.32 114.38 110.85 1i6v h ARG 91 Ca -0.08 0.00 -0.58 0.00 -0.81 0.00 0.00 59.98 58.51 1i6v h ARG 91 Cb 1.55 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 30.70 1i6v h ARG 91 CO 0.17 0.00 -0.76 -0.51 -1.51 0.00 0.00 179.97 177.36 1i6v s LEU 92 N -6.43 2.06 0.00 3.80 1.02 -1.08 -5.08 118.68 112.97 1i6v s LEU 92 Ca -0.04 -1.72 0.00 0.00 0.02 0.00 0.00 54.13 52.38 1i6v s LEU 92 Cb 0.12 -0.81 0.00 0.00 0.02 0.00 0.00 46.19 45.52 1i6v s LEU 92 CO 0.40 -0.40 0.00 0.00 0.02 0.00 0.00 176.35 176.37 1i6v n TYR 93 N 4.73 0.00 0.00 0.29 4.11 -1.25 -4.84 117.16 120.19 1i6v n TYR 93 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.89 1i6v n TYR 93 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.75 1i6v n TYR 93 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.86 176.51 1i6v n PRO 94 N 0.00 0.00 -1.44 -3.48 -0.04 -1.26 -4.88 135.00 123.91 1i6v n PRO 94 Ca 0.00 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.63 1i6v n PRO 94 Cb 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.37 1i6v n PRO 94 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1i6v n THR 95 N 0.00 -0.83 -2.10 0.52 5.66 -1.26 -4.88 114.28 111.38 1i6v n THR 95 Ca 0.00 0.89 0.00 0.00 -3.05 0.00 0.00 64.05 61.89 1i6v n THR 95 Cb 0.00 -1.36 0.00 0.00 -1.55 0.00 0.00 70.33 67.42 1i6v n THR 95 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1i6v n GLU 96 N -4.33 2.70 -4.20 1.09 4.07 -1.26 -4.77 120.64 113.93 1i6v n GLU 96 Ca -0.09 0.00 -0.18 0.00 -0.06 0.00 0.00 57.16 56.84 1i6v n GLU 96 Cb 0.67 0.00 -0.12 0.00 -0.06 0.00 0.00 31.44 31.93 1i6v n GLU 96 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1i6v s GLU 97 N 1.90 0.77 0.00 5.31 2.56 -1.26 -5.23 118.70 122.74 1i6v s GLU 97 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 54.97 54.17 1i6v s GLU 97 Cb 0.00 -0.72 0.00 0.00 2.00 0.00 0.00 34.13 35.41 1i6v s GLU 97 CO 0.00 0.17 0.00 0.39 -0.56 0.00 0.00 175.26 175.26