#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p6p h PHE 2 N 0.00 0.00 -2.45 0.00 0.04 -1.96 -3.47 116.94 109.10 1p6p h PHE 2 Ca 0.00 0.00 -0.54 0.00 2.80 0.00 0.00 57.97 60.23 1p6p h PHE 2 Cb 0.00 0.00 0.05 0.00 2.20 0.00 0.00 35.95 38.20 1p6p h PHE 2 CO 0.00 0.00 1.03 -1.71 -0.60 0.00 0.00 178.31 177.03 1p6p n ASN 3 N -2.57 3.82 0.00 2.17 2.85 -1.26 -4.67 115.26 115.60 1p6p n ASN 3 Ca 0.05 1.02 0.00 0.00 -0.11 0.00 0.00 54.58 55.54 1p6p n ASN 3 Cb 0.47 -1.52 0.00 0.00 1.24 0.00 0.00 39.78 39.97 1p6p n ASN 3 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1p6p n GLY 4 N 4.04 0.50 3.66 8.20 0.00 -0.57 -4.99 105.19 116.02 1p6p n GLY 4 Ca 0.18 -1.81 -0.35 0.00 0.00 0.00 0.00 46.02 44.04 1p6p n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p6p s THR 5 N -1.78 4.68 -0.08 2.61 2.01 -1.26 -0.55 115.64 121.26 1p6p s THR 5 Ca 0.00 -0.09 0.02 0.00 0.31 0.00 0.00 61.69 61.94 1p6p s THR 5 Cb 0.00 -3.06 0.01 0.00 0.01 0.00 0.00 72.50 69.46 1p6p s THR 5 CO 0.00 0.52 -0.14 0.26 -0.69 0.00 0.00 174.62 174.57 1p6p s TRP 6 N -0.07 1.69 -0.26 4.92 0.52 -0.24 -0.20 118.94 125.29 1p6p s TRP 6 Ca 0.06 -0.68 -0.13 0.00 0.02 0.00 0.00 56.10 55.36 1p6p s TRP 6 Cb -0.12 -1.22 -0.04 0.00 -1.15 0.00 0.00 33.47 30.93 1p6p s TRP 6 CO 0.01 -0.34 0.30 1.21 0.02 0.00 0.00 176.95 178.15 1p6p s ASN 7 N 0.74 6.19 -0.15 2.95 3.84 0.06 -0.61 114.94 127.96 1p6p s ASN 7 Ca -0.13 0.21 -0.29 0.00 0.21 0.00 0.00 52.86 52.86 1p6p s ASN 7 Cb -0.16 -2.17 -0.01 0.00 -0.55 0.00 0.00 41.25 38.36 1p6p s ASN 7 CO 0.03 -0.10 1.09 -0.69 -2.79 0.00 0.00 177.10 174.63 1p6p s VAL 8 N 1.78 4.59 -0.23 -5.21 1.01 -0.97 -1.06 120.40 120.31 1p6p s VAL 8 Ca 0.12 1.90 0.08 0.00 0.00 0.00 0.00 61.98 64.08 1p6p s VAL 8 Cb -0.15 -4.22 -0.10 0.00 0.00 0.00 0.00 36.38 31.90 1p6p s VAL 8 CO 0.09 -0.09 0.27 0.00 0.00 0.00 0.00 175.10 175.38 1p6p n TYR 9 N 5.78 0.00 -3.74 5.22 0.18 -0.61 -4.69 117.16 119.29 1p6p n TYR 9 Ca 0.11 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.76 1p6p n TYR 9 Cb 0.47 -0.07 -0.10 0.00 -0.38 0.00 0.00 39.34 39.25 1p6p n TYR 9 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1p6p s ALA 10 N -2.05 -0.94 -0.07 -3.48 0.00 -1.18 -5.02 121.76 109.02 1p6p s ALA 10 Ca 0.01 1.05 -0.02 0.00 0.00 0.00 0.00 51.96 53.00 1p6p s ALA 10 Cb 0.06 -0.60 0.03 0.00 0.00 0.00 0.00 23.12 22.61 1p6p s ALA 10 CO 0.33 -0.18 0.02 -0.65 0.00 0.00 0.00 175.76 175.28 1p6p s GLN 11 N 0.16 0.37 -0.16 0.00 -0.21 -1.26 -0.88 119.66 117.68 1p6p s GLN 11 Ca -0.00 0.16 -0.07 0.00 0.02 0.00 0.00 55.36 55.46 1p6p s GLN 11 Cb -0.03 -0.91 -0.04 0.00 1.00 0.00 0.00 33.01 33.03 1p6p s GLN 11 CO 0.01 -0.34 0.09 -1.21 -2.12 0.00 0.00 175.29 171.71 1p6p s GLU 12 N 2.04 3.82 -1.31 2.91 2.02 -0.05 -4.48 118.70 123.64 1p6p s GLU 12 Ca 0.05 -0.28 -0.01 0.00 0.02 0.00 0.00 54.97 54.75 1p6p s GLU 12 Cb -0.13 -3.21 0.00 0.00 0.10 0.00 0.00 34.13 30.89 1p6p s GLU 12 CO -0.05 0.43 0.12 -1.71 0.02 0.00 0.00 175.26 174.07 1p6p n ASN 13 N 3.07 -4.81 0.10 -0.19 5.15 -1.26 -2.89 115.26 114.42 1p6p n ASN 13 Ca -0.17 -0.07 -0.03 0.00 -0.60 0.00 0.00 54.58 53.71 1p6p n ASN 13 Cb 0.53 -3.86 0.18 0.00 -0.53 0.00 0.00 39.78 36.10 1p6p n ASN 13 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1p6p h TYR 14 N -0.27 0.26 0.28 1.20 -0.00 -1.90 -2.16 116.97 114.38 1p6p h TYR 14 Ca -0.38 -0.08 -0.01 0.00 -0.00 0.00 0.00 58.73 58.25 1p6p h TYR 14 Cb 1.28 -0.05 0.00 0.00 -0.00 0.00 0.00 36.73 37.96 1p6p h TYR 14 CO 0.42 0.68 -0.13 1.49 -0.00 0.00 0.00 178.16 180.61 1p6p h GLU 15 N 0.17 -0.36 -0.04 1.82 4.81 -1.93 -0.13 114.58 118.93 1p6p h GLU 15 Ca 0.01 0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 1p6p h GLU 15 Cb 0.95 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 1p6p h GLU 15 CO 0.08 -0.06 -0.35 -0.91 -0.73 0.00 0.00 179.01 177.03 1p6p h ASN 16 N -0.65 0.08 -0.45 1.04 2.35 -1.98 -0.24 115.58 115.73 1p6p h ASN 16 Ca -0.04 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.62 1p6p h ASN 16 Cb 0.46 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 1p6p h ASN 16 CO 0.06 0.44 0.06 0.15 -1.65 0.00 0.00 177.43 176.49 1p6p h PHE 17 N 0.07 0.87 -0.06 1.19 3.57 -1.26 -1.12 116.94 120.21 1p6p h PHE 17 Ca 0.01 -0.10 -0.15 0.00 3.53 0.00 0.00 57.97 61.25 1p6p h PHE 17 Cb 0.66 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 1p6p h PHE 17 CO 0.00 0.77 -0.63 -0.07 -2.23 0.00 0.00 178.31 176.15 1p6p h LEU 18 N 0.78 0.27 -0.27 0.59 3.38 0.47 -1.29 115.31 119.24 1p6p h LEU 18 Ca 0.16 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1p6p h LEU 18 Cb 0.38 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1p6p h LEU 18 CO 0.01 0.83 -0.01 0.03 0.09 0.00 0.00 178.44 179.38 1p6p h ARG 19 N 0.17 0.49 -0.44 1.13 2.47 -0.66 -2.56 114.38 114.99 1p6p h ARG 19 Ca -0.01 -0.16 0.08 0.00 -1.26 0.00 0.00 59.98 58.63 1p6p h ARG 19 Cb 1.15 -0.04 -0.08 0.00 -1.65 0.00 0.00 29.97 29.35 1p6p h ARG 19 CO 0.10 0.66 -0.03 1.15 0.56 0.00 0.00 179.97 182.41 1p6p h THR 20 N 0.27 0.63 0.00 2.04 2.02 -1.05 0.50 112.91 117.32 1p6p h THR 20 Ca 0.08 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.23 1p6p h THR 20 Cb 0.45 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1p6p h THR 20 CO 0.02 0.01 0.12 0.58 0.37 0.00 0.00 175.52 176.62 1p6p h VAL 21 N 0.07 0.00 0.00 3.16 2.07 -0.95 -3.45 116.25 117.16 1p6p h VAL 21 Ca 0.22 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.74 1p6p h VAL 21 Cb 0.32 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1p6p h VAL 21 CO -0.39 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.81 1p6p n GLY 22 N -1.27 0.80 3.78 2.17 0.00 0.18 -4.95 105.19 105.90 1p6p n GLY 22 Ca -0.01 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 1p6p n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p6p s LEU 23 N 0.00 3.58 0.22 0.99 2.01 -1.00 -5.01 118.68 119.47 1p6p s LEU 23 Ca 0.00 1.99 -0.24 0.00 0.01 0.00 0.00 54.13 55.89 1p6p s LEU 23 Cb 0.00 -4.56 -0.09 0.00 0.01 0.00 0.00 46.19 41.56 1p6p s LEU 23 CO 0.00 -1.27 0.81 -2.16 1.01 0.00 0.00 176.35 174.73 1p6p s PRO 24 N -3.76 4.49 0.40 1.29 0.04 -1.26 -4.71 135.00 131.49 1p6p s PRO 24 Ca 0.68 1.12 0.21 0.00 0.04 0.00 0.00 61.00 63.05 1p6p s PRO 24 Cb -0.20 -3.04 1.18 0.00 0.04 0.00 0.00 34.50 32.48 1p6p s PRO 24 CO 0.33 0.45 1.72 0.93 0.04 0.00 0.00 177.00 180.48 1p6p h GLU 25 N 3.77 0.31 -0.73 4.56 4.39 -1.98 -0.72 114.58 124.17 1p6p h GLU 25 Ca -0.47 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.18 1p6p h GLU 25 Cb 1.20 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.75 1p6p h GLU 25 CO 0.66 0.20 0.35 -0.44 -1.16 0.00 0.00 179.01 178.62 1p6p h ASP 26 N 0.31 0.94 0.46 1.42 5.19 -2.00 0.78 116.42 123.52 1p6p h ASP 26 Ca 0.67 -0.10 -0.29 0.00 -0.62 0.00 0.00 57.03 56.68 1p6p h ASP 26 Cb 1.78 -0.24 0.02 0.00 0.18 0.00 0.00 39.33 41.07 1p6p h ASP 26 CO -0.36 0.79 -1.31 0.40 -3.12 0.00 0.00 179.24 175.65 1p6p h ILE 27 N 1.04 1.41 -0.52 0.35 2.04 -1.57 -3.29 117.51 116.97 1p6p h ILE 27 Ca 0.25 -2.86 0.06 0.00 1.00 0.00 0.00 64.86 63.31 1p6p h ILE 27 Cb 0.10 2.93 -0.05 0.00 -0.74 0.00 0.00 36.82 39.06 1p6p h ILE 27 CO -0.03 0.85 0.22 0.40 0.00 0.00 0.00 178.15 179.59 1p6p h ILE 28 N 0.12 0.88 -0.81 -0.67 2.04 -0.77 0.23 117.51 118.54 1p6p h ILE 28 Ca -0.18 -0.15 0.16 0.00 1.00 0.00 0.00 64.86 65.69 1p6p h ILE 28 Cb 2.01 0.41 -0.10 0.00 -0.74 0.00 0.00 36.82 38.40 1p6p h ILE 28 CO 0.23 0.08 0.34 0.11 0.00 0.00 0.00 178.15 178.91 1p6p h LYS 29 N 0.43 0.46 0.14 2.37 1.57 -0.93 0.11 116.57 120.73 1p6p h LYS 29 Ca 0.24 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1p6p h LYS 29 Cb 0.22 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1p6p h LYS 29 CO -0.21 0.30 -0.07 0.28 -0.57 0.00 0.00 179.45 179.18 1p6p h VAL 30 N 0.47 0.78 -0.83 0.50 2.07 -1.37 -3.36 116.25 114.51 1p6p h VAL 30 Ca 0.45 -1.20 0.13 0.00 0.82 0.00 0.00 66.70 66.90 1p6p h VAL 30 Cb 0.72 1.35 -0.09 0.00 -1.52 0.00 0.00 31.29 31.76 1p6p h VAL 30 CO -0.42 0.22 0.43 0.00 0.02 0.00 0.00 177.57 177.81 1p6p h ALA 31 N -0.42 1.22 -0.03 1.67 0.00 0.14 -2.76 119.26 119.08 1p6p h ALA 31 Ca -0.02 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1p6p h ALA 31 Cb 0.51 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1p6p h ALA 31 CO 0.03 -0.06 0.13 1.57 0.00 0.00 0.00 179.25 180.92 1p6p h LYS 32 N 0.64 0.00 -0.16 0.00 2.10 -0.95 -1.56 116.57 116.63 1p6p h LYS 32 Ca 0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.09 1p6p h LYS 32 Cb 0.58 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 1p6p h LYS 32 CO -0.34 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 176.86 1p6p n ASP 33 N -3.19 2.56 -4.61 7.07 8.00 -1.04 -4.90 116.55 120.43 1p6p n ASP 33 Ca -0.02 -1.84 -0.38 0.00 0.71 0.00 0.00 54.79 53.27 1p6p n ASP 33 Cb 0.20 -0.10 -0.11 0.00 -0.02 0.00 0.00 41.12 41.10 1p6p n ASP 33 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1p6p s VAL 34 N -1.81 5.32 -0.30 2.53 1.01 -0.59 -5.07 120.40 121.50 1p6p s VAL 34 Ca 0.34 0.17 -0.12 0.00 0.00 0.00 0.00 61.98 62.38 1p6p s VAL 34 Cb 0.20 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1p6p s VAL 34 CO 0.30 0.28 0.21 0.20 0.00 0.00 0.00 175.10 176.09 1p6p s ASN 35 N 1.53 6.01 0.75 3.32 0.01 -1.26 -5.07 114.94 120.23 1p6p s ASN 35 Ca 0.07 -0.19 -0.12 0.00 -0.71 0.00 0.00 52.86 51.92 1p6p s ASN 35 Cb -0.15 -2.12 0.04 0.00 0.41 0.00 0.00 41.25 39.43 1p6p s ASN 35 CO 0.09 -0.13 1.13 -2.16 -1.51 0.00 0.00 177.10 174.52 1p6p s PRO 36 N 1.74 2.49 -0.17 -0.60 0.04 -1.26 -4.79 135.00 132.44 1p6p s PRO 36 Ca 0.07 0.33 -0.06 0.00 0.04 0.00 0.00 61.00 61.38 1p6p s PRO 36 Cb -0.17 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 1p6p s PRO 36 CO 0.11 -1.27 0.02 0.08 0.04 0.00 0.00 177.00 175.98 1p6p s VAL 37 N -3.44 4.43 -0.31 -0.36 1.01 -0.83 -2.29 120.40 118.60 1p6p s VAL 37 Ca 0.60 -0.16 -0.08 0.00 0.00 0.00 0.00 61.98 62.33 1p6p s VAL 37 Cb -0.11 -2.98 0.01 0.00 0.00 0.00 0.00 36.38 33.30 1p6p s VAL 37 CO 0.51 0.47 0.11 -0.63 0.00 0.00 0.00 175.10 175.57 1p6p s ILE 38 N 0.37 4.16 -0.16 2.22 1.01 0.21 -0.55 121.20 128.47 1p6p s ILE 38 Ca 0.00 -0.71 -0.16 0.00 0.00 0.00 0.00 60.65 59.79 1p6p s ILE 38 Cb -0.13 -3.19 -0.04 0.00 0.01 0.00 0.00 42.46 39.11 1p6p s ILE 38 CO 0.01 0.01 0.37 -0.70 0.00 0.00 0.00 174.94 174.63 1p6p s GLU 39 N 1.52 4.26 -0.11 2.79 -6.30 0.31 -1.08 118.70 120.10 1p6p s GLU 39 Ca 0.02 0.22 -0.00 0.00 -2.50 0.00 0.00 54.97 52.71 1p6p s GLU 39 Cb -0.18 -3.46 0.02 0.00 0.00 0.00 0.00 34.13 30.52 1p6p s GLU 39 CO 0.04 0.15 -0.07 0.42 0.02 0.00 0.00 175.26 175.81 1p6p s ILE 40 N 0.72 0.97 -0.60 -3.70 1.01 0.28 -0.72 121.20 119.17 1p6p s ILE 40 Ca 0.20 -0.26 -0.15 0.00 0.00 0.00 0.00 60.65 60.43 1p6p s ILE 40 Cb -0.14 -0.99 0.15 0.00 0.01 0.00 0.00 42.46 41.48 1p6p s ILE 40 CO 0.07 0.36 0.55 -1.61 0.00 0.00 0.00 174.94 174.30 1p6p s GLU 41 N 1.64 3.08 -0.44 2.79 2.02 -0.21 -1.51 118.70 126.07 1p6p s GLU 41 Ca 0.03 -1.89 -0.13 0.00 0.02 0.00 0.00 54.97 53.00 1p6p s GLU 41 Cb -0.13 -4.30 0.07 0.00 0.10 0.00 0.00 34.13 29.87 1p6p s GLU 41 CO -0.07 -1.31 0.33 -1.14 0.02 0.00 0.00 175.26 173.09 1p6p s GLN 42 N 1.25 2.85 -0.00 1.61 0.74 -1.26 -2.02 119.66 122.83 1p6p s GLN 42 Ca 0.07 -1.33 -0.20 0.00 0.05 0.00 0.00 55.36 53.94 1p6p s GLN 42 Cb -0.25 -3.98 -0.24 0.00 1.10 0.00 0.00 33.01 29.63 1p6p s GLN 42 CO 0.00 -0.96 1.07 -0.97 -0.55 0.00 0.00 175.29 173.89 1p6p h ASN 43 N 8.61 0.51 0.00 6.67 -1.24 -1.72 -3.46 115.58 124.96 1p6p h ASN 43 Ca -0.26 -0.78 0.00 0.00 0.71 0.00 0.00 56.30 55.96 1p6p h ASN 43 Cb 1.10 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.99 1p6p h ASN 43 CO 0.81 1.23 0.00 0.61 -1.29 0.00 0.00 177.43 178.80 1p6p n GLY 44 N 1.14 -1.78 0.05 1.57 0.00 -1.26 -4.88 105.19 100.03 1p6p n GLY 44 Ca -0.11 0.77 0.13 0.00 0.00 0.00 0.00 46.02 46.81 1p6p n GLY 44 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1p6p n ASN 45 N 0.00 0.41 -4.86 1.61 3.02 -1.26 -4.85 115.26 109.33 1p6p n ASN 45 Ca 0.00 -0.18 -0.37 0.00 -0.03 0.00 0.00 54.58 54.00 1p6p n ASN 45 Cb 0.00 -0.03 -0.06 0.00 -0.61 0.00 0.00 39.78 39.08 1p6p n ASN 45 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1p6p s GLU 46 N -2.84 3.70 0.06 3.52 2.02 -1.26 0.16 118.70 124.05 1p6p s GLU 46 Ca 0.17 0.16 0.02 0.00 0.02 0.00 0.00 54.97 55.34 1p6p s GLU 46 Cb 0.19 -3.20 -0.03 0.00 0.10 0.00 0.00 34.13 31.19 1p6p s GLU 46 CO 0.59 0.73 -0.08 -0.06 0.02 0.00 0.00 175.26 176.46 1p6p s PHE 47 N -1.07 0.75 -0.21 1.61 0.40 0.04 -1.63 117.98 117.87 1p6p s PHE 47 Ca 0.20 -0.63 -0.04 0.00 -0.60 0.00 0.00 56.93 55.87 1p6p s PHE 47 Cb -0.15 -0.44 0.09 0.00 0.51 0.00 0.00 43.02 43.04 1p6p s PHE 47 CO 0.10 -0.10 0.21 0.08 0.70 0.00 0.00 175.22 176.20 1p6p s VAL 48 N -2.08 -0.29 -0.13 -0.44 1.01 -0.85 -2.14 120.40 115.48 1p6p s VAL 48 Ca -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 1p6p s VAL 48 Cb -0.05 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 1p6p s VAL 48 CO -0.01 -0.27 -0.11 -0.69 0.00 0.00 0.00 175.10 174.01 1p6p s VAL 49 N 2.29 3.25 -0.03 2.92 1.01 -0.63 -1.04 120.40 128.17 1p6p s VAL 49 Ca 0.07 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1p6p s VAL 49 Cb -0.16 -2.37 0.02 0.00 0.00 0.00 0.00 36.38 33.88 1p6p s VAL 49 CO -0.15 0.52 -0.01 0.28 0.00 0.00 0.00 175.10 175.74 1p6p s THR 50 N 0.24 0.23 -0.19 3.92 -1.32 0.10 -1.83 115.64 116.80 1p6p s THR 50 Ca -0.07 0.03 -0.09 0.00 -1.21 0.00 0.00 61.69 60.35 1p6p s THR 50 Cb -0.15 -0.30 -0.05 0.00 -1.51 0.00 0.00 72.50 70.49 1p6p s THR 50 CO 0.05 0.15 0.12 -0.55 -2.21 0.00 0.00 174.62 172.17 1p6p s SER 51 N 0.89 6.12 0.04 8.08 0.15 -0.10 -0.53 113.70 128.35 1p6p s SER 51 Ca -0.09 0.21 0.04 0.00 0.70 0.00 0.00 55.95 56.82 1p6p s SER 51 Cb -0.13 -2.07 -0.04 0.00 -1.71 0.00 0.00 66.02 62.08 1p6p s SER 51 CO -0.01 0.19 -0.08 -0.54 1.20 0.00 0.00 173.24 174.00 1p6p s LYS 52 N 0.30 2.43 0.24 5.44 1.02 0.29 -1.77 119.74 127.69 1p6p s LYS 52 Ca 0.07 -0.82 -0.04 0.00 0.02 0.00 0.00 55.97 55.21 1p6p s LYS 52 Cb -0.11 -2.44 -0.03 0.00 -0.52 0.00 0.00 37.83 34.73 1p6p s LYS 52 CO -0.01 0.57 0.27 0.99 -0.92 0.00 0.00 175.35 176.25 1p6p s THR 53 N -1.06 0.00 0.01 2.17 2.01 0.50 -1.97 115.64 117.29 1p6p s THR 53 Ca 0.19 -1.79 -0.34 0.00 0.31 0.00 0.00 61.69 60.05 1p6p s THR 53 Cb -0.11 -2.42 -0.13 0.00 0.01 0.00 0.00 72.50 69.85 1p6p s THR 53 CO 0.10 0.00 1.76 -2.65 -0.69 0.00 0.00 174.62 173.14 1p6p n PRO 54 N -0.35 2.15 -1.17 4.92 -0.02 -1.26 -1.63 135.00 137.63 1p6p n PRO 54 Ca 0.01 0.78 -0.06 0.00 -2.02 0.00 0.00 63.50 62.22 1p6p n PRO 54 Cb 0.64 -2.60 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 1p6p n PRO 54 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1p6p n LYS 55 N 5.39 -1.64 -3.78 -0.52 5.02 -1.26 -4.95 118.16 116.42 1p6p n LYS 55 Ca 0.20 0.67 -0.13 0.00 -2.02 0.00 0.00 58.31 57.04 1p6p n LYS 55 Cb 0.29 -5.00 -0.12 0.00 -0.02 0.00 0.00 35.03 30.18 1p6p n LYS 55 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1p6p s GLN 56 N -2.36 0.23 0.04 1.97 -1.52 -0.65 -5.15 119.66 112.23 1p6p s GLN 56 Ca 0.00 0.36 -0.05 0.00 -1.95 0.00 0.00 55.36 53.72 1p6p s GLN 56 Cb 0.00 0.05 -0.01 0.00 -0.22 0.00 0.00 33.01 32.83 1p6p s GLN 56 CO 0.00 -0.07 0.09 0.95 -0.25 0.00 0.00 175.29 176.02 1p6p s THR 57 N 0.44 0.13 -0.03 -0.19 -4.23 -1.26 -0.37 115.64 110.14 1p6p s THR 57 Ca -0.03 -1.11 -0.03 0.00 -1.18 0.00 0.00 61.69 59.34 1p6p s THR 57 Cb -0.04 -0.91 0.01 0.00 1.34 0.00 0.00 72.50 72.89 1p6p s THR 57 CO -0.02 -0.61 0.09 -2.28 -0.54 0.00 0.00 174.62 171.26 1p6p s HIS 58 N -2.65 -0.08 0.07 3.99 2.46 -0.73 -4.97 115.29 113.38 1p6p s HIS 58 Ca -0.05 0.19 0.01 0.00 0.47 0.00 0.00 55.06 55.68 1p6p s HIS 58 Cb -0.01 0.02 -0.04 0.00 -0.13 0.00 0.00 32.58 32.42 1p6p s HIS 58 CO -0.05 -0.07 -0.06 -1.12 -2.47 0.00 0.00 174.74 170.97 1p6p s SER 59 N -0.13 0.89 0.05 9.88 0.01 -1.26 -0.92 113.70 122.21 1p6p s SER 59 Ca -0.02 -0.91 -0.10 0.00 1.31 0.00 0.00 55.95 56.23 1p6p s SER 59 Cb -0.02 0.11 0.01 0.00 0.21 0.00 0.00 66.02 66.33 1p6p s SER 59 CO 0.00 -0.46 0.22 0.20 0.41 0.00 0.00 173.24 173.61 1p6p s ASN 60 N -2.72 0.02 0.08 2.44 -0.87 -0.76 -4.99 114.94 108.13 1p6p s ASN 60 Ca 0.06 -0.38 0.03 0.00 -1.57 0.00 0.00 52.86 51.01 1p6p s ASN 60 Cb 0.03 0.31 -0.03 0.00 -0.02 0.00 0.00 41.25 41.54 1p6p s ASN 60 CO -0.05 -0.60 -0.10 -0.44 -2.57 0.00 0.00 177.10 173.34 1p6p s SER 61 N -2.21 1.32 0.03 -1.22 0.01 -1.26 -1.60 113.70 108.77 1p6p s SER 61 Ca -0.03 -0.71 -0.28 0.00 1.31 0.00 0.00 55.95 56.23 1p6p s SER 61 Cb -0.00 0.01 0.10 0.00 0.21 0.00 0.00 66.02 66.33 1p6p s SER 61 CO -0.05 -0.22 1.05 0.72 0.41 0.00 0.00 173.24 175.15 1p6p s PHE 62 N -1.98 -0.16 -0.04 2.43 -0.71 -0.91 -4.91 117.98 111.71 1p6p s PHE 62 Ca 0.00 -0.02 0.00 0.00 -1.04 0.00 0.00 56.93 55.87 1p6p s PHE 62 Cb -0.06 0.58 0.03 0.00 -1.21 0.00 0.00 43.02 42.36 1p6p s PHE 62 CO 0.00 -0.55 0.00 0.99 -1.34 0.00 0.00 175.22 174.33 1p6p s THR 63 N -2.93 0.20 0.31 -4.49 2.01 -1.26 -0.78 115.64 108.70 1p6p s THR 63 Ca 0.11 0.11 -0.28 0.00 0.31 0.00 0.00 61.69 61.93 1p6p s THR 63 Cb 0.00 -0.31 -0.13 0.00 0.01 0.00 0.00 72.50 72.07 1p6p s THR 63 CO -0.03 0.17 1.14 0.52 -0.69 0.00 0.00 174.62 175.72 1p6p n VAL 64 N 4.37 1.97 -3.26 3.82 0.31 0.41 -2.62 118.33 123.32 1p6p n VAL 64 Ca -0.22 -0.49 -0.17 0.00 -0.01 0.00 0.00 64.34 63.45 1p6p n VAL 64 Cb 0.50 -1.24 0.06 0.00 -0.91 0.00 0.00 33.84 32.25 1p6p n VAL 64 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1p6p n GLY 65 N 1.06 -0.17 3.51 2.92 0.00 -0.61 -4.96 105.19 106.94 1p6p n GLY 65 Ca 0.08 0.01 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 1p6p n GLY 65 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1p6p s LYS 66 N -5.73 0.56 0.55 1.61 2.20 -1.08 -5.02 119.74 112.84 1p6p s LYS 66 Ca 0.32 1.16 -0.20 0.00 -0.36 0.00 0.00 55.97 56.89 1p6p s LYS 66 Cb -0.14 0.30 -0.06 0.00 -1.51 0.00 0.00 37.83 36.42 1p6p s LYS 66 CO 0.55 -0.18 1.08 0.39 -0.36 0.00 0.00 175.35 176.83 1p6p n GLU 67 N 4.71 1.20 -3.70 4.03 4.71 -1.26 -4.32 120.64 126.01 1p6p n GLU 67 Ca -0.17 0.45 -0.13 0.00 -0.01 0.00 0.00 57.16 57.30 1p6p n GLU 67 Cb 0.55 -2.25 -0.07 0.00 -1.01 0.00 0.00 31.44 28.65 1p6p n GLU 67 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 1p6p s SER 68 N -1.06 -0.24 -0.46 1.62 0.01 -0.61 -4.90 113.70 108.06 1p6p s SER 68 Ca 0.72 -0.02 -0.20 0.00 1.31 0.00 0.00 55.95 57.76 1p6p s SER 68 Cb -0.44 0.39 0.03 0.00 0.21 0.00 0.00 66.02 66.21 1p6p s SER 68 CO 0.49 -0.62 0.65 -0.70 0.41 0.00 0.00 173.24 173.47 1p6p s GLU 69 N -2.31 3.23 0.27 12.44 2.12 -1.22 0.20 118.70 133.44 1p6p s GLU 69 Ca -0.06 -0.53 0.04 0.00 0.36 0.00 0.00 54.97 54.78 1p6p s GLU 69 Cb -0.01 -4.00 -0.03 0.00 0.26 0.00 0.00 34.13 30.35 1p6p s GLU 69 CO -0.01 -1.10 0.41 0.42 -0.54 0.00 0.00 175.26 174.44 1p6p s ILE 70 N 2.82 5.09 -0.01 -3.70 -1.09 -0.32 -4.77 121.20 119.22 1p6p s ILE 70 Ca 0.21 -0.89 0.15 0.00 -2.23 0.00 0.00 60.65 57.88 1p6p s ILE 70 Cb -0.16 -3.81 0.25 0.00 -1.58 0.00 0.00 42.46 37.16 1p6p s ILE 70 CO 0.17 -0.35 1.10 0.35 -1.23 0.00 0.00 174.94 174.97 1p6p n THR 71 N -1.51 0.07 -2.01 2.92 -2.24 -1.24 -2.73 114.28 107.55 1p6p n THR 71 Ca -0.07 -0.65 -0.42 0.00 -2.27 0.00 0.00 64.05 60.64 1p6p n THR 71 Cb 0.57 0.75 -0.03 0.00 -2.10 0.00 0.00 70.33 69.52 1p6p n THR 71 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1p6p s SER 72 N -1.62 6.50 -0.23 3.42 0.15 -1.26 -3.23 113.70 117.42 1p6p s SER 72 Ca 0.20 2.04 0.00 0.00 0.70 0.00 0.00 55.95 58.89 1p6p s SER 72 Cb 0.22 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 1p6p s SER 72 CO -0.09 -1.09 0.00 0.23 1.20 0.00 0.00 173.24 173.48 1p6p n MET 73 N 7.40 -2.72 0.00 5.44 2.81 -1.26 -4.54 117.12 124.25 1p6p n MET 73 Ca 0.19 0.13 0.00 0.00 -1.81 0.00 0.00 57.70 56.21 1p6p n MET 73 Cb 0.44 -4.63 0.00 0.00 -0.71 0.00 0.00 33.22 28.32 1p6p n MET 73 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1p6p n ASP 74 N -1.43 0.00 0.00 7.83 3.85 -1.25 -4.83 116.55 120.72 1p6p n ASP 74 Ca -0.03 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.05 1p6p n ASP 74 Cb 0.50 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.27 1p6p n ASP 74 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1p6p n GLY 75 N 0.00 2.39 3.39 6.12 0.00 -1.20 -4.96 105.19 110.94 1p6p n GLY 75 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1p6p n GLY 75 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1p6p s LYS 76 N 0.00 -2.04 -0.15 1.61 2.47 -1.26 -4.90 119.74 115.47 1p6p s LYS 76 Ca 0.00 0.41 -0.07 0.00 -1.56 0.00 0.00 55.97 54.75 1p6p s LYS 76 Cb 0.00 -1.46 0.06 0.00 -1.46 0.00 0.00 37.83 34.97 1p6p s LYS 76 CO 0.00 -4.36 0.33 0.15 0.16 0.00 0.00 175.35 171.63 1p6p s LYS 77 N -4.83 0.27 0.21 4.03 3.01 -1.18 -3.65 119.74 117.60 1p6p s LYS 77 Ca 0.69 0.75 -0.23 0.00 -1.01 0.00 0.00 55.97 56.17 1p6p s LYS 77 Cb -0.18 0.01 0.05 0.00 -1.01 0.00 0.00 37.83 36.69 1p6p s LYS 77 CO 0.61 -0.21 0.73 0.96 0.51 0.00 0.00 175.35 177.95 1p6p s ILE 78 N 1.82 0.00 -0.26 2.17 -0.00 -1.10 -4.87 121.20 118.94 1p6p s ILE 78 Ca -0.06 -0.59 -0.29 0.00 -0.00 0.00 0.00 60.65 59.71 1p6p s ILE 78 Cb -0.10 -1.64 -0.00 0.00 -0.00 0.00 0.00 42.46 40.72 1p6p s ILE 78 CO -0.11 0.00 1.29 -0.54 -0.00 0.00 0.00 174.94 175.58 1p6p s LYS 79 N -3.73 4.00 0.04 0.37 1.02 -1.23 -1.17 119.74 119.04 1p6p s LYS 79 Ca 0.08 1.36 0.04 0.00 0.02 0.00 0.00 55.97 57.47 1p6p s LYS 79 Cb -0.04 -3.85 -0.04 0.00 -0.52 0.00 0.00 37.83 33.39 1p6p s LYS 79 CO -0.01 -1.01 -0.04 0.08 -0.92 0.00 0.00 175.35 173.45 1p6p s VAL 80 N 4.14 3.79 -0.25 3.17 1.01 0.55 -4.80 120.40 128.00 1p6p s VAL 80 Ca 0.56 -0.88 -0.10 0.00 0.00 0.00 0.00 61.98 61.56 1p6p s VAL 80 Cb -0.18 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 1p6p s VAL 80 CO 0.21 0.27 0.14 0.28 0.00 0.00 0.00 175.10 175.99 1p6p s THR 81 N -1.13 5.05 -0.02 3.92 -1.32 -0.34 -1.57 115.64 120.22 1p6p s THR 81 Ca 0.21 0.08 -0.02 0.00 -1.21 0.00 0.00 61.69 60.74 1p6p s THR 81 Cb -0.11 -3.36 -0.04 0.00 -1.51 0.00 0.00 72.50 67.47 1p6p s THR 81 CO 0.12 0.33 0.12 -0.69 -2.21 0.00 0.00 174.62 172.29 1p6p s VAL 82 N 1.31 5.08 -0.28 5.08 1.01 -1.26 -1.97 120.40 129.37 1p6p s VAL 82 Ca 0.06 -0.24 -0.20 0.00 0.00 0.00 0.00 61.98 61.60 1p6p s VAL 82 Cb -0.14 -3.32 0.11 0.00 0.00 0.00 0.00 36.38 33.02 1p6p s VAL 82 CO 0.06 0.38 0.87 0.00 0.00 0.00 0.00 175.10 176.40 1p6p s GLN 83 N -1.71 0.59 0.04 2.72 -2.07 -0.75 -1.58 119.66 116.90 1p6p s GLN 83 Ca 0.23 0.86 -0.01 0.00 -1.82 0.00 0.00 55.36 54.63 1p6p s GLN 83 Cb -0.12 0.21 -0.04 0.00 -1.09 0.00 0.00 33.01 31.96 1p6p s GLN 83 CO 0.14 -0.10 0.20 -0.51 -1.32 0.00 0.00 175.29 173.70 1p6p s LEU 84 N 0.92 4.34 -0.23 2.60 1.43 -1.26 -0.44 118.68 126.05 1p6p s LEU 84 Ca -0.04 0.28 0.16 0.00 -1.03 0.00 0.00 54.13 53.50 1p6p s LEU 84 Cb -0.05 -2.85 0.47 0.00 0.03 0.00 0.00 46.19 43.79 1p6p s LEU 84 CO -0.11 0.19 1.16 -0.62 0.23 0.00 0.00 176.35 177.21 1p6p n GLU 85 N 0.47 2.13 0.00 1.70 -0.58 0.66 -4.98 120.64 120.04 1p6p n GLU 85 Ca -0.07 -3.50 0.00 0.00 -0.42 0.00 0.00 57.16 53.17 1p6p n GLU 85 Cb 0.51 -1.62 0.00 0.00 -0.57 0.00 0.00 31.44 29.76 1p6p n GLU 85 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1p6p n GLY 86 N -0.55 2.02 1.61 0.62 0.00 -1.26 -3.70 105.19 103.94 1p6p n GLY 86 Ca 0.21 -0.18 0.06 0.00 0.00 0.00 0.00 46.02 46.12 1p6p n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p6p n GLY 87 N 0.00 2.65 2.59 -0.02 0.00 -1.26 -4.79 105.19 104.35 1p6p n GLY 87 Ca 0.00 -0.77 -0.27 0.00 0.00 0.00 0.00 46.02 44.98 1p6p n GLY 87 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1p6p s LYS 88 N -2.31 0.14 -0.04 1.61 2.20 -1.24 -2.93 119.74 117.16 1p6p s LYS 88 Ca 0.46 -0.29 -0.18 0.00 -0.36 0.00 0.00 55.97 55.60 1p6p s LYS 88 Cb 0.33 -1.44 -0.05 0.00 -1.51 0.00 0.00 37.83 35.17 1p6p s LYS 88 CO 0.16 -0.85 0.49 -1.17 -0.36 0.00 0.00 175.35 173.61 1p6p s LEU 89 N 2.13 4.38 -0.21 5.43 2.96 -0.48 -0.25 118.68 132.66 1p6p s LEU 89 Ca 0.06 0.97 -0.03 0.00 -0.22 0.00 0.00 54.13 54.91 1p6p s LEU 89 Cb -0.16 -2.73 0.06 0.00 0.50 0.00 0.00 46.19 43.86 1p6p s LEU 89 CO -0.24 0.14 0.04 -0.63 -1.32 0.00 0.00 176.35 174.34 1p6p s ILE 90 N -0.18 0.53 0.16 6.68 1.09 0.41 -0.04 121.20 129.85 1p6p s ILE 90 Ca 0.27 -0.62 0.02 0.00 -1.10 0.00 0.00 60.65 59.21 1p6p s ILE 90 Cb -0.17 -1.07 -0.04 0.00 -1.06 0.00 0.00 42.46 40.12 1p6p s ILE 90 CO 0.13 -0.26 0.31 0.00 -0.10 0.00 0.00 174.94 175.02 1p6p s LYS 92 N -3.25 0.62 0.00 0.00 2.20 -0.83 -1.65 119.74 116.82 1p6p s LYS 92 Ca 0.35 -0.24 0.00 0.00 -0.36 0.00 0.00 55.97 55.73 1p6p s LYS 92 Cb -0.11 0.28 0.00 0.00 -1.51 0.00 0.00 37.83 36.49 1p6p s LYS 92 CO 0.29 -0.27 0.00 -1.13 -0.36 0.00 0.00 175.35 173.87 1p6p n SER 93 N -0.20 0.00 0.24 1.43 3.41 0.82 -1.20 113.62 118.12 1p6p n SER 93 Ca -0.05 -0.91 0.16 0.00 -0.26 0.00 0.00 58.87 57.81 1p6p n SER 93 Cb 0.60 0.00 0.84 0.00 -0.26 0.00 0.00 64.21 65.39 1p6p n SER 93 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1p6p h ASP 94 N 0.00 0.00 0.00 4.04 5.19 -2.02 -3.29 116.42 120.33 1p6p h ASP 94 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1p6p h ASP 94 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1p6p h ASP 94 CO 0.00 0.00 0.00 2.29 -3.12 0.00 0.00 179.24 178.41 1p6p n LYS 95 N -2.60 0.00 -4.30 3.56 -0.00 -1.26 -5.06 118.16 108.50 1p6p n LYS 95 Ca -0.02 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 57.99 1p6p n LYS 95 Cb 0.09 -0.05 -0.11 0.00 -0.00 0.00 0.00 35.03 34.96 1p6p n LYS 95 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 1p6p s PHE 96 N 0.00 2.66 -0.05 5.58 5.36 -1.24 -1.80 117.98 128.49 1p6p s PHE 96 Ca 0.00 -0.20 -0.31 0.00 -0.96 0.00 0.00 56.93 55.47 1p6p s PHE 96 Cb 0.00 -1.41 0.07 0.00 -0.34 0.00 0.00 43.02 41.34 1p6p s PHE 96 CO 0.00 0.40 0.69 -1.54 -1.46 0.00 0.00 175.22 173.31 1p6p s SER 97 N -2.10 -0.64 -0.23 6.13 1.04 -0.95 -0.13 113.70 116.83 1p6p s SER 97 Ca 0.19 0.67 -0.03 0.00 0.48 0.00 0.00 55.95 57.26 1p6p s SER 97 Cb -0.11 0.53 0.12 0.00 0.10 0.00 0.00 66.02 66.66 1p6p s SER 97 CO 0.12 -0.61 0.35 -2.28 0.98 0.00 0.00 173.24 171.80 1p6p s HIS 98 N -1.29 -0.73 -0.11 5.02 2.46 -0.66 -0.62 115.29 119.36 1p6p s HIS 98 Ca -0.10 0.82 -0.03 0.00 0.47 0.00 0.00 55.06 56.22 1p6p s HIS 98 Cb -0.00 -0.01 -0.03 0.00 -0.13 0.00 0.00 32.58 32.41 1p6p s HIS 98 CO 0.09 -0.66 0.02 0.42 -2.47 0.00 0.00 174.74 172.14 1p6p s ILE 99 N 2.52 4.49 -0.19 0.89 -1.09 -1.07 -0.59 121.20 126.16 1p6p s ILE 99 Ca 0.10 -0.17 -0.01 0.00 -2.23 0.00 0.00 60.65 58.34 1p6p s ILE 99 Cb -0.15 -2.92 0.05 0.00 -1.58 0.00 0.00 42.46 37.86 1p6p s ILE 99 CO -0.15 0.58 -0.02 -1.58 -1.23 0.00 0.00 174.94 172.54 1p6p s GLN 100 N -0.62 1.16 -0.06 2.79 0.74 0.94 -1.98 119.66 122.63 1p6p s GLN 100 Ca 0.11 -0.56 -0.02 0.00 0.05 0.00 0.00 55.36 54.94 1p6p s GLN 100 Cb -0.12 -2.13 -0.04 0.00 1.10 0.00 0.00 33.01 31.83 1p6p s GLN 100 CO 0.02 -0.54 0.03 -1.21 -0.55 0.00 0.00 175.29 173.05 1p6p s GLU 101 N 1.67 3.02 -0.05 1.67 2.02 0.11 -1.38 118.70 125.77 1p6p s GLU 101 Ca -0.01 -0.43 0.01 0.00 0.02 0.00 0.00 54.97 54.56 1p6p s GLU 101 Cb -0.17 -2.83 0.02 0.00 0.10 0.00 0.00 34.13 31.26 1p6p s GLU 101 CO -0.07 0.69 -0.03 0.08 0.02 0.00 0.00 175.26 175.94 1p6p s VAL 102 N -1.00 0.45 -0.28 2.63 1.01 -1.15 0.78 120.40 122.84 1p6p s VAL 102 Ca 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.09 1p6p s VAL 102 Cb -0.12 -0.51 0.09 0.00 0.00 0.00 0.00 36.38 35.84 1p6p s VAL 102 CO 0.06 0.22 0.08 0.20 0.00 0.00 0.00 175.10 175.66 1p6p s ASN 103 N 1.12 3.74 1.75 3.32 -0.87 -0.05 -4.85 114.94 119.09 1p6p s ASN 103 Ca -0.08 -1.41 0.00 0.00 -1.57 0.00 0.00 52.86 49.80 1p6p s ASN 103 Cb -0.14 -0.76 0.00 0.00 -0.02 0.00 0.00 41.25 40.33 1p6p s ASN 103 CO -0.01 -0.39 0.00 0.61 -2.57 0.00 0.00 177.10 174.74 1p6p n GLY 104 N 4.93 3.20 0.59 0.66 0.00 -1.26 -2.06 105.19 111.25 1p6p n GLY 104 Ca -0.04 -0.15 0.09 0.00 0.00 0.00 0.00 46.02 45.91 1p6p n GLY 104 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p6p n ASP 105 N 6.85 1.76 -4.53 1.61 8.00 -1.26 -4.88 116.55 124.09 1p6p n ASP 105 Ca 0.00 -1.82 -0.34 0.00 0.71 0.00 0.00 54.79 53.35 1p6p n ASP 105 Cb 0.00 -0.16 -0.12 0.00 -0.02 0.00 0.00 41.12 40.83 1p6p n ASP 105 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1p6p s GLU 106 N -1.69 2.96 0.06 -1.24 0.41 -0.87 -0.55 118.70 117.77 1p6p s GLU 106 Ca 0.29 -0.57 0.06 0.00 -0.41 0.00 0.00 54.97 54.34 1p6p s GLU 106 Cb 0.16 -2.63 -0.03 0.00 -1.78 0.00 0.00 34.13 29.85 1p6p s GLU 106 CO 0.22 0.54 -0.18 1.41 -0.49 0.00 0.00 175.26 176.76 1p6p s MET 107 N -0.47 1.13 -0.01 1.61 -2.45 -0.54 -0.87 119.30 117.70 1p6p s MET 107 Ca 0.07 -0.92 0.04 0.00 -1.25 0.00 0.00 55.69 53.63 1p6p s MET 107 Cb -0.12 -1.23 -0.01 0.00 1.25 0.00 0.00 34.83 34.72 1p6p s MET 107 CO 0.02 0.30 -0.15 0.08 1.05 0.00 0.00 175.02 176.33 1p6p s VAL 108 N -0.93 1.15 0.01 10.11 1.01 0.23 -1.52 120.40 130.48 1p6p s VAL 108 Ca 0.04 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.44 1p6p s VAL 108 Cb -0.09 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 1p6p s VAL 108 CO 0.02 0.33 -0.11 -1.61 0.00 0.00 0.00 175.10 173.73 1p6p s GLU 109 N -0.32 0.80 -0.36 2.72 2.02 -0.08 0.09 118.70 123.56 1p6p s GLU 109 Ca 0.05 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.52 1p6p s GLU 109 Cb -0.06 -0.76 0.12 0.00 0.10 0.00 0.00 34.13 33.53 1p6p s GLU 109 CO -0.00 0.20 0.16 0.15 0.02 0.00 0.00 175.26 175.79 1p6p s LYS 110 N -0.67 0.88 -0.06 1.61 1.02 -0.83 -0.83 119.74 120.87 1p6p s LYS 110 Ca 0.01 -1.43 -0.13 0.00 0.02 0.00 0.00 55.97 54.44 1p6p s LYS 110 Cb -0.06 -2.00 -0.05 0.00 -0.52 0.00 0.00 37.83 35.20 1p6p s LYS 110 CO 0.00 -1.08 0.35 0.42 -0.92 0.00 0.00 175.35 174.12 1p6p s ILE 111 N 1.10 5.17 0.01 2.17 1.09 0.71 -2.59 121.20 128.87 1p6p s ILE 111 Ca 0.14 0.69 0.01 0.00 -1.10 0.00 0.00 60.65 60.39 1p6p s ILE 111 Cb -0.21 -3.65 -0.01 0.00 -1.06 0.00 0.00 42.46 37.53 1p6p s ILE 111 CO -0.13 0.54 -0.04 -0.89 -0.10 0.00 0.00 174.94 174.32 1p6p s THR 112 N -0.70 0.29 -0.12 2.92 2.01 0.21 0.69 115.64 120.95 1p6p s THR 112 Ca 0.21 -0.49 -0.04 0.00 0.31 0.00 0.00 61.69 61.68 1p6p s THR 112 Cb -0.15 -0.32 0.05 0.00 0.01 0.00 0.00 72.50 72.09 1p6p s THR 112 CO 0.10 -0.13 0.10 -0.63 -0.69 0.00 0.00 174.62 173.37 1p6p s ILE 113 N -0.62 -0.15 0.00 1.82 1.01 -0.45 -2.24 121.20 120.57 1p6p s ILE 113 Ca -0.04 0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.73 1p6p s ILE 113 Cb -0.05 -0.40 0.00 0.00 0.01 0.00 0.00 42.46 42.02 1p6p s ILE 113 CO -0.00 -0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.50 1p6p n GLY 114 N 5.30 2.57 1.09 6.18 0.00 -0.74 -1.33 105.19 118.25 1p6p n GLY 114 Ca -0.05 -0.29 0.11 0.00 0.00 0.00 0.00 46.02 45.80 1p6p n GLY 114 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1p6p n SER 115 N 6.07 3.24 -4.52 1.61 7.64 -1.26 -4.91 113.62 121.50 1p6p n SER 115 Ca 0.00 -1.96 -0.41 0.00 1.01 0.00 0.00 58.87 57.50 1p6p n SER 115 Cb 0.00 -0.28 -0.09 0.00 -1.01 0.00 0.00 64.21 62.83 1p6p n SER 115 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1p6p s SER 116 N -1.38 6.16 -0.15 6.43 0.15 -0.45 -5.07 113.70 119.40 1p6p s SER 116 Ca 0.39 -0.44 -0.02 0.00 0.70 0.00 0.00 55.95 56.58 1p6p s SER 116 Cb 0.22 -2.19 -0.02 0.00 -1.71 0.00 0.00 66.02 62.32 1p6p s SER 116 CO 0.31 -0.40 -0.08 -0.89 1.20 0.00 0.00 173.24 173.38 1p6p s THR 117 N 1.97 3.51 -0.17 6.45 2.01 -1.26 -1.34 115.64 126.81 1p6p s THR 117 Ca 0.10 -0.50 -0.05 0.00 0.31 0.00 0.00 61.69 61.56 1p6p s THR 117 Cb -0.17 -2.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.80 1p6p s THR 117 CO 0.12 0.50 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.32 1p6p s LEU 118 N 0.39 3.37 -0.35 4.42 2.96 0.22 -4.75 118.68 124.94 1p6p s LEU 118 Ca -0.07 -0.09 -0.07 0.00 -0.22 0.00 0.00 54.13 53.68 1p6p s LEU 118 Cb -0.15 -1.83 0.04 0.00 0.50 0.00 0.00 46.19 44.76 1p6p s LEU 118 CO 0.04 0.16 0.12 -0.89 -1.32 0.00 0.00 176.35 174.46 1p6p s THR 119 N 0.43 3.81 -0.22 3.68 2.01 -1.14 -0.20 115.64 124.00 1p6p s THR 119 Ca -0.02 -1.18 -0.08 0.00 0.31 0.00 0.00 61.69 60.72 1p6p s THR 119 Cb -0.14 -3.18 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 1p6p s THR 119 CO 0.02 -0.22 0.08 -0.13 -0.69 0.00 0.00 174.62 173.69 1p6p s ARG 120 N 1.40 3.83 -0.12 4.92 0.52 -0.01 -0.88 118.95 128.62 1p6p s ARG 120 Ca -0.01 -0.40 -0.03 0.00 -0.52 0.00 0.00 55.73 54.77 1p6p s ARG 120 Cb -0.20 -3.32 -0.03 0.00 0.52 0.00 0.00 34.95 31.92 1p6p s ARG 120 CO 0.03 0.01 -0.01 0.15 0.02 0.00 0.00 175.30 175.50 1p6p s LYS 121 N 1.10 3.35 0.13 3.54 1.02 -0.06 -0.90 119.74 127.91 1p6p s LYS 121 Ca 0.05 -0.44 -0.09 0.00 0.02 0.00 0.00 55.97 55.51 1p6p s LYS 121 Cb -0.14 -2.88 -0.01 0.00 -0.52 0.00 0.00 37.83 34.28 1p6p s LYS 121 CO 0.04 0.48 0.23 -1.54 -0.92 0.00 0.00 175.35 173.64 1p6p s SER 122 N -0.28 0.08 -0.07 2.83 1.04 -0.57 -1.58 113.70 115.15 1p6p s SER 122 Ca 0.06 -0.76 0.03 0.00 0.48 0.00 0.00 55.95 55.76 1p6p s SER 122 Cb -0.12 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.39 1p6p s SER 122 CO 0.02 -0.81 -0.16 -0.75 0.98 0.00 0.00 173.24 172.52 1p6p s LYS 123 N -3.91 2.08 0.21 4.02 2.47 -0.22 -1.47 119.74 122.92 1p6p s LYS 123 Ca 0.11 -0.57 -0.30 0.00 -1.56 0.00 0.00 55.97 53.65 1p6p s LYS 123 Cb 0.04 -1.67 -0.09 0.00 -1.46 0.00 0.00 37.83 34.64 1p6p s LYS 123 CO -0.06 0.10 1.41 0.50 0.16 0.00 0.00 175.35 177.46 1p6p s ARG 124 N 0.48 4.31 0.00 4.03 3.52 0.29 -0.76 118.95 130.81 1p6p s ARG 124 Ca -0.14 2.20 0.00 0.00 -0.13 0.00 0.00 55.73 57.66 1p6p s ARG 124 Cb -0.16 -3.16 0.00 0.00 -1.56 0.00 0.00 34.95 30.08 1p6p s ARG 124 CO 0.05 -0.39 0.00 0.28 -0.81 0.00 0.00 175.30 174.43