#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1scm n GLN 5 N 0.00 -0.92 0.15 4.33 1.13 -1.26 -4.77 117.38 116.05 1scm n GLN 5 Ca 0.00 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.98 1scm n GLN 5 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.31 1scm n GLN 5 CO 0.00 0.00 0.00 0.22 -1.44 0.00 0.00 177.06 175.84 1scm h ASP 6 N 0.86 -0.40 -0.42 1.08 1.82 -2.05 -3.46 116.42 113.87 1scm h ASP 6 Ca 0.00 -0.05 -0.07 0.00 -0.39 0.00 0.00 57.03 56.53 1scm h ASP 6 Cb 0.00 0.10 -0.15 0.00 0.68 0.00 0.00 39.33 39.96 1scm h ASP 6 CO 0.00 0.06 -0.26 -0.62 -1.61 0.00 0.00 179.24 176.81 1scm n GLU 7 N -5.09 0.29 -0.02 0.28 1.02 -1.26 -5.04 120.64 110.82 1scm n GLU 7 Ca -0.07 -1.25 -0.07 0.00 -0.02 0.00 0.00 57.16 55.75 1scm n GLU 7 Cb 0.21 -0.54 0.11 0.00 -0.02 0.00 0.00 31.44 31.20 1scm n GLU 7 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1scm h ILE 8 N 3.25 1.29 0.00 -3.67 2.04 -1.95 -2.41 117.51 116.06 1scm h ILE 8 Ca -0.02 -1.48 0.00 0.00 1.00 0.00 0.00 64.86 64.36 1scm h ILE 8 Cb 1.14 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 38.68 1scm h ILE 8 CO -0.05 0.47 0.00 0.47 0.00 0.00 0.00 178.15 179.05 1scm n ASP 9 N -4.06 0.00 -0.01 1.72 9.92 -1.26 -2.11 116.55 120.75 1scm n ASP 9 Ca -0.01 -0.79 0.06 0.00 -0.53 0.00 0.00 54.79 53.52 1scm n ASP 9 Cb 0.49 -0.05 -0.10 0.00 -0.64 0.00 0.00 41.12 40.81 1scm n ASP 9 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1scm n ASP 10 N -1.05 1.95 -0.04 -2.24 9.92 -1.00 -3.42 116.55 120.67 1scm n ASP 10 Ca 0.21 0.00 -0.16 0.00 -0.53 0.00 0.00 54.79 54.31 1scm n ASP 10 Cb 0.12 1.57 -0.07 0.00 -0.64 0.00 0.00 41.12 42.10 1scm n ASP 10 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1scm h LEU 11 N 0.00 0.81 -0.66 0.64 6.46 -1.34 -2.38 115.31 118.84 1scm h LEU 11 Ca -0.02 -0.61 0.14 0.00 -0.12 0.00 0.00 57.88 57.28 1scm h LEU 11 Cb 0.67 -0.24 -0.11 0.00 -0.73 0.00 0.00 40.66 40.25 1scm h LEU 11 CO 0.00 1.28 0.02 0.11 -0.62 0.00 0.00 178.44 179.23 1scm h LYS 12 N 0.39 0.13 -0.13 1.25 1.57 -1.56 0.45 116.57 118.67 1scm h LYS 12 Ca -0.03 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1scm h LYS 12 Cb 1.22 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.50 1scm h LYS 12 CO 0.13 0.09 -0.01 -0.44 -0.57 0.00 0.00 179.45 178.64 1scm h ASP 13 N 0.13 0.23 0.37 0.86 3.32 -1.57 -2.33 116.42 117.44 1scm h ASP 13 Ca 0.35 -0.33 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1scm h ASP 13 Cb 0.58 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.07 1scm h ASP 13 CO -0.55 0.51 -0.02 0.58 -1.72 0.00 0.00 179.24 178.04 1scm h VAL 14 N -0.05 0.13 0.13 -1.35 2.07 -0.76 -2.40 116.25 114.01 1scm h VAL 14 Ca 0.04 -0.25 -0.34 0.00 0.82 0.00 0.00 66.70 66.96 1scm h VAL 14 Cb 0.40 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1scm h VAL 14 CO 0.01 0.02 -1.80 0.15 0.02 0.00 0.00 177.57 175.97 1scm h PHE 15 N 0.00 0.50 0.00 1.57 3.57 -0.76 -2.78 116.94 119.04 1scm h PHE 15 Ca -0.00 -0.36 -0.03 0.00 3.53 0.00 0.00 57.97 61.11 1scm h PHE 15 Cb 0.21 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.93 1scm h PHE 15 CO 0.00 1.59 -0.12 0.93 -2.23 0.00 0.00 178.31 178.48 1scm h GLU 16 N 0.07 0.00 -0.01 1.11 4.39 -0.94 0.14 114.58 119.35 1scm h GLU 16 Ca -0.35 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.29 1scm h GLU 16 Cb 2.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.70 1scm h GLU 16 CO 0.13 0.12 -0.22 1.25 -1.16 0.00 0.00 179.01 179.13 1scm h LEU 17 N 0.00 0.20 -0.33 1.33 7.12 -1.49 -1.82 115.31 120.33 1scm h LEU 17 Ca -0.00 -0.76 0.00 0.00 0.13 0.00 0.00 57.88 57.25 1scm h LEU 17 Cb 0.46 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.53 1scm h LEU 17 CO 0.02 0.94 0.00 -0.26 -0.13 0.00 0.00 178.44 179.00 1scm h PHE 18 N -0.51 0.00 -0.55 1.25 -1.00 -1.25 -2.91 116.94 111.98 1scm h PHE 18 Ca -0.03 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.65 1scm h PHE 18 Cb 0.96 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.51 1scm h PHE 18 CO 0.18 0.00 -0.09 0.22 -1.61 0.00 0.00 178.31 177.01 1scm h ASP 19 N 0.00 1.01 0.17 2.17 3.58 -0.57 -3.12 116.42 119.66 1scm h ASP 19 Ca 0.00 -0.32 -0.01 0.00 0.42 0.00 0.00 57.03 57.12 1scm h ASP 19 Cb 0.73 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.50 1scm h ASP 19 CO 0.00 1.11 -0.08 0.15 -2.88 0.00 0.00 179.24 177.53 1scm h PHE 20 N 0.91 -0.22 0.00 0.28 3.57 -1.14 -3.00 116.94 117.34 1scm h PHE 20 Ca 0.15 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1scm h PHE 20 Cb 0.64 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.46 1scm h PHE 20 CO 0.04 -0.04 0.00 0.91 -2.23 0.00 0.00 178.31 176.99 1scm n TRP 21 N -5.14 0.00 -2.52 0.41 5.03 -1.16 -0.19 117.44 113.87 1scm n TRP 21 Ca -0.09 0.00 -0.19 0.00 3.03 0.00 0.00 57.50 60.25 1scm n TRP 21 Cb 0.16 -0.40 0.01 0.00 -1.03 0.00 0.00 31.31 30.06 1scm n TRP 21 CO 0.00 0.00 0.00 -0.40 -0.03 0.00 0.00 177.69 177.26 1scm n ASP 22 N -1.40 3.43 -1.34 -0.99 5.68 -1.19 -5.06 116.55 115.68 1scm n ASP 22 Ca 0.03 -3.28 -0.00 0.00 -0.50 0.00 0.00 54.79 51.04 1scm n ASP 22 Cb 0.09 -0.47 -0.00 0.00 -1.14 0.00 0.00 41.12 39.59 1scm n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1scm n GLY 23 N -0.36 -3.40 3.56 6.12 0.00 0.74 -4.80 105.19 107.05 1scm n GLY 23 Ca 0.27 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 1scm n GLY 23 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1scm s ARG 24 N -1.60 2.79 -0.28 1.61 3.52 -1.14 -4.58 118.95 119.27 1scm s ARG 24 Ca -0.01 0.64 0.20 0.00 -0.13 0.00 0.00 55.73 56.43 1scm s ARG 24 Cb 0.00 -4.33 0.48 0.00 -1.56 0.00 0.00 34.95 29.54 1scm s ARG 24 CO 0.03 -2.54 1.22 -0.40 -0.81 0.00 0.00 175.30 172.80 1scm n ASP 25 N 12.02 0.77 -1.06 -2.12 5.68 -1.26 -5.02 116.55 125.57 1scm n ASP 25 Ca 0.19 -2.10 -0.13 0.00 -0.50 0.00 0.00 54.79 52.25 1scm n ASP 25 Cb 0.51 -0.17 -0.06 0.00 -1.14 0.00 0.00 41.12 40.26 1scm n ASP 25 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1scm n GLY 26 N -0.82 1.27 2.94 6.12 0.00 -1.26 -4.96 105.19 108.48 1scm n GLY 26 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1scm n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1scm s ALA 27 N -2.12 -0.17 -0.06 4.61 0.00 -1.26 -4.41 121.76 118.36 1scm s ALA 27 Ca 0.00 0.20 0.05 0.00 0.00 0.00 0.00 51.96 52.21 1scm s ALA 27 Cb 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 1scm s ALA 27 CO 0.00 -0.04 -0.20 0.14 0.00 0.00 0.00 175.76 175.67 1scm s VAL 28 N 0.07 2.53 0.13 0.00 -7.23 -0.07 -4.69 120.40 111.13 1scm s VAL 28 Ca -0.00 -0.90 -0.35 0.00 -1.81 0.00 0.00 61.98 58.92 1scm s VAL 28 Cb -0.01 -1.96 -0.16 0.00 0.56 0.00 0.00 36.38 34.81 1scm s VAL 28 CO -0.00 0.57 1.24 -0.67 -0.31 0.00 0.00 175.10 175.93 1scm n ASP 29 N 2.74 1.42 0.18 4.85 -0.08 -1.26 -1.09 116.55 123.32 1scm n ASP 29 Ca -0.17 1.13 0.12 0.00 -1.51 0.00 0.00 54.79 54.36 1scm n ASP 29 Cb 0.52 -1.19 0.65 0.00 2.34 0.00 0.00 41.12 43.44 1scm n ASP 29 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1scm h ALA 30 N 3.88 1.00 0.00 -1.67 0.00 -1.68 -0.35 119.26 120.44 1scm h ALA 30 Ca -0.45 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 1scm h ALA 30 Cb 1.34 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1scm h ALA 30 CO 0.73 0.00 -0.16 0.35 0.00 0.00 0.00 179.25 180.17 1scm h PHE 31 N 0.00 0.00 -0.42 0.00 3.57 -1.82 -2.87 116.94 115.40 1scm h PHE 31 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1scm h PHE 31 Cb 0.03 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1scm h PHE 31 CO 0.00 0.16 0.00 1.63 -2.23 0.00 0.00 178.31 177.87 1scm n LYS 32 N -3.38 2.47 0.20 1.11 4.76 -0.14 -4.45 118.16 118.72 1scm n LYS 32 Ca -0.00 -2.27 0.06 0.00 -2.87 0.00 0.00 58.31 53.22 1scm n LYS 32 Cb 0.36 -1.49 0.53 0.00 -1.84 0.00 0.00 35.03 32.59 1scm n LYS 32 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1scm h LEU 33 N 4.13 0.08 0.30 -0.35 6.46 -1.57 -0.18 115.31 124.17 1scm h LEU 33 Ca 0.00 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.74 1scm h LEU 33 Cb 0.94 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.85 1scm h LEU 33 CO 0.00 0.16 -0.14 1.23 -0.62 0.00 0.00 178.44 179.07 1scm h GLY 34 N 0.38 -0.42 2.00 3.75 0.00 -1.79 -2.81 103.07 104.19 1scm h GLY 34 Ca 0.02 0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.48 1scm h GLY 34 CO 0.01 -0.15 -0.10 -0.55 0.00 0.00 0.00 176.54 175.75 1scm h ASP 35 N -0.69 0.00 -0.19 0.19 5.19 -1.72 -1.06 116.42 118.14 1scm h ASP 35 Ca -0.04 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.31 1scm h ASP 35 Cb 0.48 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.98 1scm h ASP 35 CO 0.07 0.10 -0.11 0.58 -3.12 0.00 0.00 179.24 176.76 1scm h VAL 36 N 0.00 1.31 -0.61 -1.35 2.07 -0.93 -3.07 116.25 113.67 1scm h VAL 36 Ca -0.00 -1.19 -0.07 0.00 0.82 0.00 0.00 66.70 66.25 1scm h VAL 36 Cb 0.23 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 1scm h VAL 36 CO 0.01 0.36 0.11 0.00 0.02 0.00 0.00 177.57 178.07 1scm h ARG 38 N 0.92 0.71 0.00 0.00 3.08 -1.42 0.83 114.38 118.50 1scm h ARG 38 Ca 0.19 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1scm h ARG 38 Cb 0.42 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1scm h ARG 38 CO 0.01 0.47 0.00 0.00 -1.07 0.00 0.00 179.97 179.38 1scm n LEU 40 N -2.13 2.20 0.00 0.00 4.77 0.28 -5.01 117.00 117.11 1scm n LEU 40 Ca 0.00 -0.79 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 1scm n LEU 40 Cb 0.12 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1scm n LEU 40 CO 0.13 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1scm n GLY 41 N 1.40 1.96 3.23 -0.72 0.00 -0.94 -5.11 105.19 105.01 1scm n GLY 41 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 1scm n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1scm s ILE 42 N -2.00 0.85 -0.19 -0.61 1.01 -1.24 -5.04 121.20 113.98 1scm s ILE 42 Ca 0.00 -1.99 -0.04 0.00 0.00 0.00 0.00 60.65 58.62 1scm s ILE 42 Cb 0.00 -1.92 0.10 0.00 0.01 0.00 0.00 42.46 40.64 1scm s ILE 42 CO 0.00 -0.67 0.28 0.20 0.00 0.00 0.00 174.94 174.75 1scm s ASN 43 N -3.14 0.78 0.00 3.58 0.01 -1.26 -3.94 114.94 110.97 1scm s ASN 43 Ca 0.18 0.14 0.00 0.00 -0.71 0.00 0.00 52.86 52.47 1scm s ASN 43 Cb 0.05 0.67 0.00 0.00 0.41 0.00 0.00 41.25 42.38 1scm s ASN 43 CO 0.01 -0.29 0.00 -0.81 -1.51 0.00 0.00 177.10 174.49 1scm n PRO 44 N 5.34 0.00 0.00 -0.60 -0.05 -1.26 -4.61 135.00 133.82 1scm n PRO 44 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.40 1scm n PRO 44 Cb 0.50 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.95 1scm n PRO 44 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 175.50 173.32 1scm n ARG 45 N -0.58 0.00 -0.26 0.54 3.00 -1.26 -4.39 116.66 113.71 1scm n ARG 45 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.85 57.90 1scm n ARG 45 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 32.46 32.65 1scm n ARG 45 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.63 176.66 1scm h ASN 46 N 0.00 0.26 0.04 6.15 -1.24 -2.00 -2.68 115.58 116.11 1scm h ASN 46 Ca 0.00 0.11 -0.00 0.00 0.71 0.00 0.00 56.30 57.12 1scm h ASN 46 Cb 0.00 0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.15 1scm h ASN 46 CO 0.00 0.09 -0.02 -0.33 -1.29 0.00 0.00 177.43 175.89 1scm h GLU 47 N 0.43 -0.05 0.00 6.67 5.08 -1.99 -2.91 114.58 121.81 1scm h GLU 47 Ca 0.42 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.72 1scm h GLU 47 Cb 0.64 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1scm h GLU 47 CO -0.41 0.13 -0.31 0.38 -1.00 0.00 0.00 179.01 177.80 1scm h ASP 48 N -0.21 0.00 0.16 1.42 2.03 -1.86 0.19 116.42 118.14 1scm h ASP 48 Ca -0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.29 1scm h ASP 48 Cb 0.20 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.69 1scm h ASP 48 CO 0.01 0.31 -0.04 0.58 -1.03 0.00 0.00 179.24 179.06 1scm h VAL 49 N 0.00 0.44 0.00 4.15 2.07 -1.29 -0.50 116.25 121.12 1scm h VAL 49 Ca -0.00 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.24 1scm h VAL 49 Cb 0.54 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1scm h VAL 49 CO 0.04 0.04 -1.31 0.49 0.02 0.00 0.00 177.57 176.85 1scm n PHE 50 N -3.63 0.84 2.00 1.57 3.72 0.56 -2.00 117.46 120.51 1scm n PHE 50 Ca -0.02 0.26 0.02 0.00 -0.05 0.00 0.00 57.45 57.66 1scm n PHE 50 Cb 0.14 -0.96 0.14 0.00 -0.94 0.00 0.00 39.48 37.86 1scm n PHE 50 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1scm n ALA 51 N -2.28 2.53 -1.88 4.37 0.00 -0.63 -4.97 120.51 117.64 1scm n ALA 51 Ca -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1scm n ALA 51 Cb 0.68 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 19.05 1scm n ALA 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1scm n VAL 52 N -0.57-12.18 -3.67 0.00 0.31 -0.28 -4.95 118.33 96.99 1scm n VAL 52 Ca 0.03 3.04 -0.11 0.00 -0.01 0.00 0.00 64.34 67.29 1scm n VAL 52 Cb 0.02 -5.12 -0.08 0.00 -0.91 0.00 0.00 33.84 27.74 1scm n VAL 52 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1scm s GLY 53 N -0.48 -0.47 -0.01 2.92 0.00 -1.22 -4.87 107.32 103.19 1scm s GLY 53 Ca 0.00 1.82 -0.07 0.00 0.00 0.00 0.00 44.72 46.47 1scm s GLY 53 CO 0.00 1.71 0.18 0.61 0.00 0.00 0.00 173.10 175.60 1scm n GLY 54 N 3.44 -0.04 1.43 0.20 0.00 -1.25 -4.75 105.19 104.22 1scm n GLY 54 Ca -0.17 0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.06 1scm n GLY 54 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1scm n THR 55 N 0.27 1.89 0.00 2.61 5.66 -1.26 -4.09 114.28 119.36 1scm n THR 55 Ca 0.03 -1.29 0.00 0.00 -3.05 0.00 0.00 64.05 59.75 1scm n THR 55 Cb 0.01 0.08 0.00 0.00 -1.55 0.00 0.00 70.33 68.88 1scm n THR 55 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 1scm n HIS 56 N 0.82 0.00 -3.72 1.09 -0.00 -1.26 -5.17 115.22 106.97 1scm n HIS 56 Ca 0.24 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.28 1scm n HIS 56 Cb 0.87 0.00 -0.09 0.00 -0.12 0.00 0.00 29.99 30.65 1scm n HIS 56 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 1scm s LYS 57 N 0.00 0.59 -0.18 1.57 1.02 -1.26 -5.11 119.74 116.37 1scm s LYS 57 Ca 0.00 0.29 -0.27 0.00 0.02 0.00 0.00 55.97 56.01 1scm s LYS 57 Cb 0.00 0.28 -0.01 0.00 -0.52 0.00 0.00 37.83 37.58 1scm s LYS 57 CO 0.00 -0.12 0.94 -1.64 -0.92 0.00 0.00 175.35 173.61 1scm s MET 58 N -0.42 4.30 0.00 1.68 -1.94 -1.26 -4.29 119.30 117.37 1scm s MET 58 Ca -0.05 1.21 0.00 0.00 -1.71 0.00 0.00 55.69 55.13 1scm s MET 58 Cb -0.03 -3.60 0.00 0.00 2.01 0.00 0.00 34.83 33.21 1scm s MET 58 CO 0.03 -0.44 0.00 0.41 -0.01 0.00 0.00 175.02 175.00 1scm n GLY 59 N 3.36 4.07 0.27 -0.03 0.00 -1.26 -5.04 105.19 106.56 1scm n GLY 59 Ca 0.08 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 1scm n GLY 59 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1scm h GLU 60 N 0.00 -0.64 -6.26 1.61 4.11 -2.02 -3.46 114.58 107.92 1scm h GLU 60 Ca 0.00 0.04 -0.61 0.00 0.07 0.00 0.00 59.36 58.86 1scm h GLU 60 Cb 0.00 0.15 -0.15 0.00 0.50 0.00 0.00 28.75 29.25 1scm h GLU 60 CO 0.00 -0.43 -0.77 0.15 0.07 0.00 0.00 179.01 178.03 1scm s LYS 61 N -4.18 1.65 -0.11 1.06 -0.14 -1.26 -5.09 119.74 111.67 1scm s LYS 61 Ca -0.10 -1.73 -0.04 0.00 -1.36 0.00 0.00 55.97 52.74 1scm s LYS 61 Cb 0.01 -1.77 0.06 0.00 -1.68 0.00 0.00 37.83 34.45 1scm s LYS 61 CO 0.29 0.34 0.23 -1.12 -0.76 0.00 0.00 175.35 174.32 1scm s SER 62 N -3.38 0.40 -0.12 2.83 0.01 -1.26 -1.81 113.70 110.37 1scm s SER 62 Ca 0.28 0.50 -0.04 0.00 1.31 0.00 0.00 55.95 58.00 1scm s SER 62 Cb -0.05 0.52 -0.03 0.00 0.21 0.00 0.00 66.02 66.67 1scm s SER 62 CO 0.14 -0.23 0.02 -0.76 0.41 0.00 0.00 173.24 172.82 1scm s LEU 63 N 2.22 3.67 0.00 2.44 1.43 -0.25 -4.84 118.68 123.36 1scm s LEU 63 Ca 0.00 0.13 -0.07 0.00 -1.03 0.00 0.00 54.13 53.16 1scm s LEU 63 Cb -0.12 -1.87 0.10 0.00 0.03 0.00 0.00 46.19 44.33 1scm s LEU 63 CO -0.08 0.31 0.59 -0.81 0.23 0.00 0.00 176.35 176.59 1scm n PRO 64 N 2.63 -0.56 -0.09 1.29 -0.04 -1.26 -0.89 135.00 136.08 1scm n PRO 64 Ca -0.18 -0.91 -0.12 0.00 -0.04 0.00 0.00 63.50 62.25 1scm n PRO 64 Cb 0.53 -0.60 -0.04 0.00 -0.04 0.00 0.00 33.50 33.35 1scm n PRO 64 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1scm h PHE 65 N -1.33 0.55 -0.39 0.54 3.57 -2.00 -3.02 116.94 114.86 1scm h PHE 65 Ca -0.19 -0.11 -0.00 0.00 3.53 0.00 0.00 57.97 61.19 1scm h PHE 65 Cb 0.52 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 1scm h PHE 65 CO 0.00 0.70 0.22 0.93 -2.23 0.00 0.00 178.31 177.93 1scm h GLU 66 N 0.24 0.53 0.00 1.11 3.07 -1.97 -1.68 114.58 115.88 1scm h GLU 66 Ca 0.07 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1scm h GLU 66 Cb 0.51 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1scm h GLU 66 CO 0.02 0.38 0.00 0.93 -1.40 0.00 0.00 179.01 178.95 1scm h GLU 67 N 0.54 0.00 0.14 2.33 5.08 -1.92 -3.19 114.58 117.55 1scm h GLU 67 Ca 0.14 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.22 1scm h GLU 67 Cb 0.00 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.27 1scm h GLU 67 CO -0.03 0.00 -1.25 0.74 -1.00 0.00 0.00 179.01 177.48 1scm h PHE 68 N 0.00 0.72 -0.96 4.33 -1.00 -1.23 -3.38 116.94 115.41 1scm h PHE 68 Ca 0.00 -0.49 0.17 0.00 2.81 0.00 0.00 57.97 60.46 1scm h PHE 68 Cb 0.83 -0.04 -0.10 0.00 3.61 0.00 0.00 35.95 40.25 1scm h PHE 68 CO 0.00 1.36 0.56 1.25 -1.61 0.00 0.00 178.31 179.87 1scm h LEU 69 N 0.15 0.72 0.00 1.54 7.12 -1.32 -0.65 115.31 122.88 1scm h LEU 69 Ca -0.16 0.09 0.00 0.00 0.13 0.00 0.00 57.88 57.94 1scm h LEU 69 Cb 1.94 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 42.04 1scm h LEU 69 CO 0.22 0.28 -0.67 -0.65 -0.13 0.00 0.00 178.44 177.48 1scm h PRO 70 N 0.74 0.00 0.07 5.25 0.11 -1.74 -3.12 132.00 133.31 1scm h PRO 70 Ca 0.54 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 66.40 1scm h PRO 70 Cb 0.80 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.92 1scm h PRO 70 CO -0.37 0.00 -1.11 0.00 -0.21 0.00 0.00 178.00 176.31 1scm h ALA 71 N 2.01 0.21 0.36 -0.75 0.00 -1.62 0.18 119.26 119.65 1scm h ALA 71 Ca 0.00 -0.79 -0.02 0.00 0.00 0.00 0.00 54.91 54.10 1scm h ALA 71 Cb 0.99 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1scm h ALA 71 CO 0.00 0.87 -0.17 -0.92 0.00 0.00 0.00 179.25 179.03 1scm h TYR 72 N 0.16 -0.45 -0.99 0.00 3.20 -1.24 -2.34 116.97 115.31 1scm h TYR 72 Ca -0.12 -0.01 0.29 0.00 3.14 0.00 0.00 58.73 62.03 1scm h TYR 72 Cb 1.79 0.15 -0.14 0.00 1.54 0.00 0.00 36.73 40.06 1scm h TYR 72 CO 0.07 -0.14 0.55 0.93 -1.64 0.00 0.00 178.16 177.92 1scm h GLU 73 N -0.74 0.39 0.00 1.82 5.08 -1.43 0.68 114.58 120.37 1scm h GLU 73 Ca -0.05 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.15 1scm h GLU 73 Cb 0.51 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1scm h GLU 73 CO 0.08 0.26 -0.67 0.78 -1.00 0.00 0.00 179.01 178.46 1scm h GLY 74 N 0.40 0.00 1.73 -3.84 0.00 -0.69 -3.25 103.07 97.43 1scm h GLY 74 Ca 0.69 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.76 1scm h GLY 74 CO -0.56 0.00 -1.18 1.41 0.00 0.00 0.00 176.54 176.21 1scm h LEU 75 N 0.00 0.26 -0.96 3.11 3.38 -0.37 -3.40 115.31 117.33 1scm h LEU 75 Ca -0.01 -0.29 0.18 0.00 0.09 0.00 0.00 57.88 57.85 1scm h LEU 75 Cb 1.43 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.99 1scm h LEU 75 CO 0.09 1.23 0.56 -0.03 0.09 0.00 0.00 178.44 180.37 1scm h MET 76 N 0.05 0.70 -2.39 1.13 4.05 -1.10 0.16 114.93 117.54 1scm h MET 76 Ca -0.10 -0.04 -0.68 0.00 -0.28 0.00 0.00 59.70 58.60 1scm h MET 76 Cb 1.90 -0.16 -0.37 0.00 -0.80 0.00 0.00 31.60 32.18 1scm h MET 76 CO 0.17 0.47 -0.04 -0.25 0.23 0.00 0.00 176.91 177.49 1scm n ASP 77 N -4.80 5.11 0.00 1.39 8.00 -1.26 -4.96 116.55 120.03 1scm n ASP 77 Ca 0.21 -3.54 0.00 0.00 0.71 0.00 0.00 54.79 52.17 1scm n ASP 77 Cb 0.53 -0.85 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 1scm n ASP 77 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1scm s GLU 79 N 4.94 1.80 -0.01 0.00 2.12 -1.26 -5.07 118.70 121.22 1scm s GLU 79 Ca 0.00 -0.38 0.08 0.00 0.36 0.00 0.00 54.97 55.03 1scm s GLU 79 Cb 0.00 -1.69 -0.02 0.00 0.26 0.00 0.00 34.13 32.68 1scm s GLU 79 CO 0.00 -0.18 -0.26 -0.65 -0.54 0.00 0.00 175.26 173.64 1scm s GLN 80 N 1.36 2.09 0.58 4.30 -0.21 -1.26 -4.76 119.66 121.76 1scm s GLN 80 Ca -0.00 -0.94 -0.04 0.00 0.02 0.00 0.00 55.36 54.40 1scm s GLN 80 Cb -0.14 -2.04 0.12 0.00 1.00 0.00 0.00 33.01 31.95 1scm s GLN 80 CO -0.05 0.56 0.80 0.41 -2.12 0.00 0.00 175.29 174.88 1scm n GLY 81 N 2.35 0.08 3.55 3.09 0.00 -1.26 -5.14 105.19 107.87 1scm n GLY 81 Ca -0.16 -1.92 -0.26 0.00 0.00 0.00 0.00 46.02 43.67 1scm n GLY 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1scm s THR 82 N -2.45 0.85 0.29 2.61 -4.23 -1.26 -5.04 115.64 106.41 1scm s THR 82 Ca 0.50 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 1scm s THR 82 Cb -0.02 -2.41 0.14 0.00 1.34 0.00 0.00 72.50 71.55 1scm s THR 82 CO 0.34 0.00 1.82 0.15 -0.54 0.00 0.00 174.62 176.39 1scm h PHE 83 N 1.76 0.75 -0.84 3.99 3.57 -2.00 -2.41 116.94 121.76 1scm h PHE 83 Ca -0.38 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.01 1scm h PHE 83 Cb 1.28 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.76 1scm h PHE 83 CO 1.33 0.68 0.42 0.00 -2.23 0.00 0.00 178.31 178.51 1scm h ALA 84 N 1.37 1.08 -0.19 2.41 0.00 -1.98 -1.22 119.26 120.73 1scm h ALA 84 Ca 0.14 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1scm h ALA 84 Cb 0.36 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1scm h ALA 84 CO 0.01 0.62 0.01 -0.44 0.00 0.00 0.00 179.25 179.46 1scm h ASP 85 N 1.18 0.31 -0.73 0.00 3.32 -1.88 -0.96 116.42 117.66 1scm h ASP 85 Ca 0.29 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1scm h ASP 85 Cb 0.09 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 1scm h ASP 85 CO -0.04 0.52 0.43 1.88 -1.72 0.00 0.00 179.24 180.31 1scm h TYR 86 N 0.09 0.99 0.00 4.55 0.05 -1.16 0.92 116.97 122.41 1scm h TYR 86 Ca 0.05 -0.01 -0.15 0.00 0.05 0.00 0.00 58.73 58.68 1scm h TYR 86 Cb 0.36 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 37.75 1scm h TYR 86 CO 0.03 0.67 -0.99 0.52 -1.05 0.00 0.00 178.16 177.33 1scm h MET 87 N 1.03 0.00 0.01 4.88 2.86 -1.05 -0.55 114.93 122.11 1scm h MET 87 Ca 0.26 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.71 1scm h MET 87 Cb -0.01 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 1scm h MET 87 CO -0.05 0.47 -0.93 1.05 1.06 0.00 0.00 176.91 178.51 1scm h GLU 88 N 0.00 0.05 0.24 1.72 4.11 -0.56 -1.99 114.58 118.15 1scm h GLU 88 Ca -0.08 -0.07 -0.01 0.00 0.07 0.00 0.00 59.36 59.26 1scm h GLU 88 Cb 1.54 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.82 1scm h GLU 88 CO 0.07 0.94 -0.12 0.00 0.07 0.00 0.00 179.01 179.97 1scm h ALA 89 N 1.03 -0.33 0.00 1.06 0.00 -0.86 -2.05 119.26 118.11 1scm h ALA 89 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1scm h ALA 89 Cb 1.62 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1scm h ALA 89 CO 0.13 -0.55 0.00 1.19 0.00 0.00 0.00 179.25 180.01 1scm n PHE 90 N -5.12 0.00 0.03 0.00 3.72 -0.22 -3.43 117.46 112.44 1scm n PHE 90 Ca -0.09 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.29 1scm n PHE 90 Cb 0.23 -0.08 -0.01 0.00 -0.94 0.00 0.00 39.48 38.69 1scm n PHE 90 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1scm h LYS 91 N 0.00 -0.09 0.00 -1.08 3.11 -0.59 -3.35 116.57 114.56 1scm h LYS 91 Ca 0.00 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 1scm h LYS 91 Cb 0.03 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.29 1scm h LYS 91 CO 0.00 -0.06 0.00 2.41 -2.81 0.00 0.00 179.45 178.99 1scm n THR 92 N -2.55 0.00 1.48 1.00 -1.04 -1.22 0.16 114.28 112.11 1scm n THR 92 Ca -0.01 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.07 1scm n THR 92 Cb 0.04 0.00 0.30 0.00 -1.82 0.00 0.00 70.33 68.85 1scm n THR 92 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1scm n PHE 93 N -0.77 0.18 -3.48 -1.42 3.72 -1.26 -4.52 117.46 109.91 1scm n PHE 93 Ca 0.00 -0.09 -0.42 0.00 -0.05 0.00 0.00 57.45 56.89 1scm n PHE 93 Cb 0.00 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.50 1scm n PHE 93 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1scm s ASP 94 N -1.33 6.35 0.12 4.37 -1.08 0.44 -4.72 116.67 120.82 1scm s ASP 94 Ca 0.23 -3.05 -0.20 0.00 -0.52 0.00 0.00 52.55 49.02 1scm s ASP 94 Cb 0.12 -2.07 -0.04 0.00 -1.46 0.00 0.00 42.92 39.46 1scm s ASP 94 CO 0.18 -0.41 1.72 0.03 0.52 0.00 0.00 175.17 177.20 1scm h ARG 95 N 7.13 0.04 0.00 4.34 3.08 -1.82 -3.32 114.38 123.83 1scm h ARG 95 Ca 0.10 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1scm h ARG 95 Cb 0.96 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.00 1scm h ARG 95 CO 0.80 0.02 -0.31 0.39 -1.07 0.00 0.00 179.97 179.81 1scm n GLU 96 N -5.15 0.16 -0.63 0.04 4.71 -1.26 -5.02 120.64 113.50 1scm n GLU 96 Ca -0.03 0.08 0.00 0.00 -0.01 0.00 0.00 57.16 57.20 1scm n GLU 96 Cb 0.10 -1.63 0.00 0.00 -1.01 0.00 0.00 31.44 28.90 1scm n GLU 96 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1scm n GLY 97 N 1.40 0.77 3.36 0.62 0.00 -1.25 -5.02 105.19 105.07 1scm n GLY 97 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1scm n GLY 97 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1scm s GLN 98 N -0.37 2.57 -0.03 1.61 -0.21 -1.26 -5.00 119.66 116.97 1scm s GLN 98 Ca 0.00 -0.81 -0.00 0.00 0.02 0.00 0.00 55.36 54.57 1scm s GLN 98 Cb 0.00 -2.28 -0.00 0.00 1.00 0.00 0.00 33.01 31.73 1scm s GLN 98 CO 0.00 0.47 0.89 0.41 -2.12 0.00 0.00 175.29 174.95 1scm n GLY 99 N 2.72 1.50 3.18 3.09 0.00 -1.26 -4.81 105.19 109.61 1scm n GLY 99 Ca -0.17 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 1scm n GLY 99 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1scm s PHE 100 N 4.23 2.03 -0.06 1.61 0.08 -1.26 -2.69 117.98 121.92 1scm s PHE 100 Ca 0.02 -0.64 0.02 0.00 0.12 0.00 0.00 56.93 56.44 1scm s PHE 100 Cb 0.01 -1.36 0.02 0.00 -0.57 0.00 0.00 43.02 41.11 1scm s PHE 100 CO -0.00 -0.23 -0.10 -1.50 -0.10 0.00 0.00 175.22 173.29 1scm s ILE 101 N 0.07 0.99 1.29 0.64 2.07 -1.15 -4.42 121.20 120.68 1scm s ILE 101 Ca -0.07 -0.39 -0.21 0.00 -1.41 0.00 0.00 60.65 58.58 1scm s ILE 101 Cb -0.13 -0.93 0.32 0.00 0.13 0.00 0.00 42.46 41.84 1scm s ILE 101 CO 0.04 0.33 1.05 -0.94 -1.91 0.00 0.00 174.94 173.51 1scm s SER 102 N 0.79 0.18 0.01 4.50 1.04 -1.26 -1.61 113.70 117.34 1scm s SER 102 Ca -0.13 0.68 -0.09 0.00 0.48 0.00 0.00 55.95 56.89 1scm s SER 102 Cb -0.15 -0.93 -0.05 0.00 0.10 0.00 0.00 66.02 64.98 1scm s SER 102 CO 0.02 -4.58 0.99 1.23 0.98 0.00 0.00 173.24 171.88 1scm h GLY 103 N -2.89 -0.35 -0.59 7.32 0.00 -0.81 -2.58 103.07 103.16 1scm h GLY 103 Ca -0.44 0.13 0.10 0.00 0.00 0.00 0.00 47.33 47.12 1scm h GLY 103 CO 0.31 -0.13 -0.41 0.00 0.00 0.00 0.00 176.54 176.31 1scm h ALA 104 N -1.80 -0.19 -0.76 3.60 0.00 -1.93 0.40 119.26 118.58 1scm h ALA 104 Ca -0.03 0.15 0.13 0.00 0.00 0.00 0.00 54.91 55.16 1scm h ALA 104 Cb 0.26 0.95 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 1scm h ALA 104 CO 0.06 -0.77 0.50 0.93 0.00 0.00 0.00 179.25 179.97 1scm h GLU 105 N -0.16 0.49 -0.14 0.00 4.39 -1.93 -1.79 114.58 115.44 1scm h GLU 105 Ca 0.22 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.83 1scm h GLU 105 Cb 0.56 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1scm h GLU 105 CO -0.75 0.33 -0.13 1.25 -1.16 0.00 0.00 179.01 178.55 1scm h LEU 106 N 0.51 0.35 -0.15 1.33 5.85 -0.49 -0.44 115.31 122.27 1scm h LEU 106 Ca 0.37 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1scm h LEU 106 Cb 0.72 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1scm h LEU 106 CO -0.13 0.75 -0.08 -2.11 -0.34 0.00 0.00 178.44 176.53 1scm n ARG 107 N -4.58 0.58 -0.05 1.25 1.85 -0.94 -2.63 116.66 112.14 1scm n ARG 107 Ca -0.06 -0.15 -0.08 0.00 -1.00 0.00 0.00 57.85 56.56 1scm n ARG 107 Cb 0.35 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 30.19 1scm n ARG 107 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1scm h HIS 108 N 0.36 -0.03 0.00 2.89 3.86 -1.24 -3.06 115.15 117.94 1scm h HIS 108 Ca 0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1scm h HIS 108 Cb 0.34 0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.82 1scm h HIS 108 CO 0.00 0.51 0.00 1.33 0.86 0.00 0.00 177.93 180.63 1scm n VAL 109 N -4.72 0.61 -0.04 2.45 0.24 -0.19 -1.10 118.33 115.59 1scm n VAL 109 Ca -0.06 0.15 0.02 0.00 -2.04 0.00 0.00 64.34 62.42 1scm n VAL 109 Cb 0.27 -1.08 -0.14 0.00 -1.47 0.00 0.00 33.84 31.41 1scm n VAL 109 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1scm n LEU 110 N -1.18 0.00 -0.01 1.34 4.77 -1.08 -4.40 117.00 116.44 1scm n LEU 110 Ca 0.03 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.03 1scm n LEU 110 Cb 0.03 0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 41.22 1scm n LEU 110 CO 0.03 0.17 -0.64 0.35 -1.33 0.00 0.00 177.39 175.97 1scm n THR 111 N -2.36 0.12 0.74 -5.08 -2.24 -0.57 -2.71 114.28 102.18 1scm n THR 111 Ca -0.13 -0.23 0.12 0.00 -2.27 0.00 0.00 64.05 61.53 1scm n THR 111 Cb 0.72 0.07 0.15 0.00 -2.10 0.00 0.00 70.33 69.18 1scm n THR 111 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1scm n ALA 112 N -1.91 3.34 -4.41 6.98 0.00 -0.26 -4.49 120.51 119.76 1scm n ALA 112 Ca -0.04 -0.34 -0.26 0.00 0.00 0.00 0.00 53.44 52.80 1scm n ALA 112 Cb 0.34 -1.08 -0.07 0.00 0.00 0.00 0.00 19.45 18.64 1scm n ALA 112 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1scm n LEU 113 N -1.83 0.00 0.00 0.00 4.32 -1.26 -5.01 117.00 113.22 1scm n LEU 113 Ca 0.04 -3.13 0.00 0.00 -0.02 0.00 0.00 56.01 52.90 1scm n LEU 113 Cb 0.40 1.21 0.00 0.00 -1.62 0.00 0.00 43.42 43.41 1scm n LEU 113 CO 0.37 -0.49 0.00 0.61 -1.22 0.00 0.00 177.39 176.66 1scm n GLY 114 N -0.76 2.63 2.70 -0.72 0.00 -1.26 -1.63 105.19 106.15 1scm n GLY 114 Ca -0.02 0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1scm n GLY 114 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1scm n GLU 115 N 14.00 3.19 -0.81 1.61 2.13 -1.26 -4.98 120.64 134.52 1scm n GLU 115 Ca 0.00 -4.61 -0.27 0.00 0.66 0.00 0.00 57.16 52.94 1scm n GLU 115 Cb 0.00 -2.36 -0.01 0.00 0.27 0.00 0.00 31.44 29.34 1scm n GLU 115 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 1scm n ARG 116 N 1.18 0.00 -4.45 5.31 1.85 -0.64 -5.00 116.66 114.90 1scm n ARG 116 Ca 0.28 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.80 1scm n ARG 116 Cb 0.38 -0.60 -0.10 0.00 -1.05 0.00 0.00 32.46 31.09 1scm n ARG 116 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1scm s LEU 117 N 2.22 3.20 0.45 2.89 2.96 -1.10 -5.02 118.68 124.29 1scm s LEU 117 Ca 0.37 -0.12 -0.22 0.00 -0.22 0.00 0.00 54.13 53.93 1scm s LEU 117 Cb -0.47 -1.82 -0.08 0.00 0.50 0.00 0.00 46.19 44.32 1scm s LEU 117 CO 0.36 0.29 1.10 -0.94 -1.32 0.00 0.00 176.35 175.84 1scm s SER 118 N -1.38 6.35 0.00 3.68 1.04 -1.26 -4.34 113.70 117.78 1scm s SER 118 Ca 0.17 2.14 0.00 0.00 0.48 0.00 0.00 55.95 58.74 1scm s SER 118 Cb -0.11 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1scm s SER 118 CO 0.07 -0.78 0.58 -0.67 0.98 0.00 0.00 173.24 173.42 1scm n ASP 119 N -0.51 0.00 -0.03 7.02 2.03 -1.26 -0.05 116.55 123.75 1scm n ASP 119 Ca 0.07 0.13 0.02 0.00 0.52 0.00 0.00 54.79 55.53 1scm n ASP 119 Cb 0.50 -0.13 -0.11 0.00 -0.72 0.00 0.00 41.12 40.66 1scm n ASP 119 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1scm n GLU 120 N -1.08 0.92 0.11 -0.67 4.71 -1.26 -3.77 120.64 119.60 1scm n GLU 120 Ca 0.00 -0.09 -0.04 0.00 -0.01 0.00 0.00 57.16 57.02 1scm n GLU 120 Cb 0.02 -1.34 0.07 0.00 -1.01 0.00 0.00 31.44 29.19 1scm n GLU 120 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1scm h ASP 121 N 0.00 0.07 1.16 1.62 3.32 -0.82 -3.08 116.42 118.69 1scm h ASP 121 Ca -0.12 -0.05 -0.11 0.00 0.02 0.00 0.00 57.03 56.77 1scm h ASP 121 Cb 1.05 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 1scm h ASP 121 CO 0.01 0.78 -0.53 0.58 -1.72 0.00 0.00 179.24 178.36 1scm h VAL 122 N 0.03 1.00 -0.14 -1.35 2.07 -1.64 0.00 116.25 116.24 1scm h VAL 122 Ca -0.01 -2.12 -0.16 0.00 0.82 0.00 0.00 66.70 65.23 1scm h VAL 122 Cb 1.31 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 33.36 1scm h VAL 122 CO 0.10 0.52 -0.58 0.44 0.02 0.00 0.00 177.57 178.07 1scm h ASP 123 N 0.00 0.50 -0.05 0.57 5.19 -1.65 -3.30 116.42 117.68 1scm h ASP 123 Ca -0.01 -0.28 -0.21 0.00 -0.62 0.00 0.00 57.03 55.92 1scm h ASP 123 Cb 1.25 -0.14 0.01 0.00 0.18 0.00 0.00 39.33 40.62 1scm h ASP 123 CO 0.07 0.97 -0.75 -0.33 -3.12 0.00 0.00 179.24 176.08 1scm h GLU 124 N 0.34 0.70 -0.00 3.56 4.39 -1.42 -3.18 114.58 118.96 1scm h GLU 124 Ca -0.00 -0.56 -0.07 0.00 0.34 0.00 0.00 59.36 59.08 1scm h GLU 124 Cb 1.11 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.87 1scm h GLU 124 CO 0.10 1.17 -0.31 0.97 -1.16 0.00 0.00 179.01 179.79 1scm h ILE 125 N 0.48 1.22 0.00 3.13 6.09 -1.10 -0.96 117.51 126.38 1scm h ILE 125 Ca -0.04 -1.07 0.00 0.00 -1.37 0.00 0.00 64.86 62.38 1scm h ILE 125 Cb 1.36 1.57 0.00 0.00 0.47 0.00 0.00 36.82 40.22 1scm h ILE 125 CO 0.15 0.31 0.00 -0.38 -3.07 0.00 0.00 178.15 175.15 1scm n ILE 126 N -4.17 0.00 0.06 2.19 5.41 -1.20 -3.99 119.36 117.66 1scm n ILE 126 Ca -0.02 0.00 -0.06 0.00 1.00 0.00 0.00 62.75 63.67 1scm n ILE 126 Cb 0.35 -0.26 -0.03 0.00 -0.71 0.00 0.00 39.64 38.99 1scm n ILE 126 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 1scm h LYS 127 N 0.23 -0.24 -1.34 0.38 2.10 -1.26 -3.41 116.57 113.03 1scm h LYS 127 Ca 0.00 0.02 -0.16 0.00 -2.00 0.00 0.00 60.65 58.50 1scm h LYS 127 Cb 0.17 0.05 -0.23 0.00 -0.90 0.00 0.00 32.23 31.32 1scm h LYS 127 CO 0.00 -0.06 -0.53 -1.17 -2.00 0.00 0.00 179.45 175.70 1scm s LEU 128 N -8.82 -1.02 0.00 7.07 2.96 -1.26 -4.56 118.68 113.05 1scm s LEU 128 Ca -0.06 -0.98 0.00 0.00 -0.22 0.00 0.00 54.13 52.87 1scm s LEU 128 Cb 0.00 1.47 0.00 0.00 0.50 0.00 0.00 46.19 48.17 1scm s LEU 128 CO 0.20 -0.21 0.00 0.35 -1.32 0.00 0.00 176.35 175.36 1scm n THR 129 N 4.45 0.00 0.00 3.68 -2.24 -1.26 -4.95 114.28 113.96 1scm n THR 129 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1scm n THR 129 Cb 0.53 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 1scm n THR 129 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1scm n ASP 130 N 0.00 0.00 -1.68 3.42 5.68 -1.26 -5.04 116.55 117.67 1scm n ASP 130 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1scm n ASP 130 Cb 0.00 0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 1scm n ASP 130 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1scm n LEU 131 N -1.59 0.00 -4.55 -2.12 7.99 -1.26 -4.86 117.00 110.61 1scm n LEU 131 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 56.01 55.63 1scm n LEU 131 Cb 0.00 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.28 1scm n LEU 131 CO 0.00 0.00 1.67 -1.10 -1.51 0.00 0.00 177.39 176.45 1scm s GLN 132 N -1.21 2.52 0.23 3.23 -1.52 -1.26 -4.94 119.66 116.70 1scm s GLN 132 Ca 0.00 0.72 -0.23 0.00 -1.95 0.00 0.00 55.36 53.90 1scm s GLN 132 Cb 0.00 -4.45 -0.09 0.00 -0.22 0.00 0.00 33.01 28.26 1scm s GLN 132 CO 0.00 -2.87 0.80 -2.00 -0.25 0.00 0.00 175.29 170.97 1scm s GLU 133 N 7.28 4.45 1.23 2.91 2.12 -1.26 -4.81 118.70 130.62 1scm s GLU 133 Ca 0.73 1.08 -0.18 0.00 0.36 0.00 0.00 54.97 56.96 1scm s GLU 133 Cb -0.13 -3.00 0.28 0.00 0.26 0.00 0.00 34.13 31.54 1scm s GLU 133 CO 0.21 0.43 0.64 -0.25 -0.54 0.00 0.00 175.26 175.75 1scm n ASP 134 N 1.00 -3.64 0.09 -1.70 9.92 -0.14 -4.87 116.55 117.21 1scm n ASP 134 Ca -0.03 -0.65 -0.16 0.00 -0.53 0.00 0.00 54.79 53.42 1scm n ASP 134 Cb 0.50 -0.87 -0.09 0.00 -0.64 0.00 0.00 41.12 40.01 1scm n ASP 134 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1scm h LEU 135 N 0.00 0.58 -1.72 0.64 5.85 -1.98 -3.08 115.31 115.61 1scm h LEU 135 Ca -0.29 -0.53 0.00 0.00 0.84 0.00 0.00 57.88 57.90 1scm h LEU 135 Cb 0.98 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1scm h LEU 135 CO 0.17 1.36 0.00 -0.33 -0.34 0.00 0.00 178.44 179.31 1scm h GLU 136 N 0.19 0.00 0.00 1.25 3.07 -2.04 -3.45 114.58 113.60 1scm h GLU 136 Ca -0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.74 1scm h GLU 136 Cb 1.78 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.69 1scm h GLU 136 CO 0.19 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.21 1scm n GLY 137 N -0.27 0.74 3.89 -3.84 0.00 -1.16 -4.97 105.19 99.59 1scm n GLY 137 Ca -0.00 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 1scm n GLY 137 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1scm s ASN 138 N -2.40 6.51 0.49 1.61 0.01 -1.26 -0.08 114.94 119.82 1scm s ASN 138 Ca 0.00 0.74 0.01 0.00 -0.71 0.00 0.00 52.86 52.91 1scm s ASN 138 Cb 0.00 -2.15 -0.00 0.00 0.41 0.00 0.00 41.25 39.50 1scm s ASN 138 CO 0.00 -0.10 0.04 1.33 -1.51 0.00 0.00 177.10 176.86 1scm n VAL 139 N -0.46 0.00 -3.65 1.60 0.24 -0.64 -0.97 118.33 114.46 1scm n VAL 139 Ca -0.01 -2.46 -0.39 0.00 -2.04 0.00 0.00 64.34 59.44 1scm n VAL 139 Cb 0.53 0.60 -0.09 0.00 -1.47 0.00 0.00 33.84 33.41 1scm n VAL 139 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1scm s LYS 140 N -3.80 2.36 0.39 7.34 1.02 -1.26 -2.95 119.74 122.83 1scm s LYS 140 Ca 0.06 -1.92 0.21 0.00 0.02 0.00 0.00 55.97 54.34 1scm s LYS 140 Cb 0.00 -3.80 1.15 0.00 -0.52 0.00 0.00 37.83 34.67 1scm s LYS 140 CO 0.04 -1.15 1.61 0.10 -0.92 0.00 0.00 175.35 175.03 1scm h TYR 141 N 8.08 0.00 -0.06 3.18 -0.00 -1.83 -2.29 116.97 124.05 1scm h TYR 141 Ca -0.14 0.00 -0.14 0.00 0.00 0.00 0.00 58.73 58.45 1scm h TYR 141 Cb 1.04 0.00 0.01 0.00 0.00 0.00 0.00 36.73 37.78 1scm h TYR 141 CO 0.63 0.00 -0.51 1.49 -0.00 0.00 0.00 178.16 179.77 1scm h GLU 142 N 0.00 0.45 0.01 0.10 4.81 -1.94 -0.90 114.58 117.11 1scm h GLU 142 Ca 0.00 -0.40 0.01 0.00 -0.13 0.00 0.00 59.36 58.84 1scm h GLU 142 Cb 0.30 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1scm h GLU 142 CO 0.00 1.05 -0.07 -0.44 -0.73 0.00 0.00 179.01 178.82 1scm h ASP 143 N -0.01 -0.21 -0.89 1.04 3.32 -1.80 -0.03 116.42 117.84 1scm h ASP 143 Ca -0.05 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.08 1scm h ASP 143 Cb 1.18 0.09 -0.06 0.00 0.22 0.00 0.00 39.33 40.76 1scm h ASP 143 CO 0.10 -0.11 0.57 0.15 -1.72 0.00 0.00 179.24 178.24 1scm h PHE 144 N -0.13 1.07 0.33 4.55 3.57 -1.48 0.99 116.94 125.83 1scm h PHE 144 Ca 0.02 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1scm h PHE 144 Cb 0.16 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.55 1scm h PHE 144 CO -0.13 0.60 -0.16 0.28 -2.23 0.00 0.00 178.31 176.67 1scm h VAL 145 N 1.09 0.70 -0.40 1.41 2.07 -0.75 -1.80 116.25 118.57 1scm h VAL 145 Ca 0.36 -0.37 0.08 0.00 0.82 0.00 0.00 66.70 67.59 1scm h VAL 145 Cb 0.05 0.89 -0.07 0.00 -1.52 0.00 0.00 31.29 30.64 1scm h VAL 145 CO -0.13 0.07 -0.04 0.11 0.02 0.00 0.00 177.57 177.60 1scm h LYS 146 N -0.64 0.06 0.19 1.57 1.57 -0.52 -0.17 116.57 118.63 1scm h LYS 146 Ca -0.04 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1scm h LYS 146 Cb 0.46 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1scm h LYS 146 CO 0.07 0.04 -0.09 0.87 -0.57 0.00 0.00 179.45 179.77 1scm h LYS 147 N 0.06 -0.25 -0.84 3.15 1.57 -0.84 -0.23 116.57 119.19 1scm h LYS 147 Ca 0.19 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 59.06 1scm h LYS 147 Cb 0.29 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.59 1scm h LYS 147 CO -0.36 0.03 0.51 0.28 -0.57 0.00 0.00 179.45 179.34 1scm h VAL 148 N -0.52 1.00 -0.18 0.50 2.07 -1.17 0.40 116.25 118.35 1scm h VAL 148 Ca -0.03 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 1scm h VAL 148 Cb 0.39 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1scm h VAL 148 CO 0.04 0.16 -0.01 0.24 0.02 0.00 0.00 177.57 178.03 1scm h MET 149 N 0.90 0.25 -2.18 1.57 2.86 -0.74 -3.21 114.93 114.38 1scm h MET 149 Ca 0.38 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.89 1scm h MET 149 Cb 0.24 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 1scm h MET 149 CO -0.20 0.29 -0.10 0.00 1.06 0.00 0.00 176.91 177.96 1scm n ALA 150 N -2.50 4.39 -0.80 6.32 0.00 0.13 -4.92 120.51 123.14 1scm n ALA 150 Ca -0.00 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.55 1scm n ALA 150 Cb 0.18 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.67 1scm n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1scm n GLY 151 N 2.30 0.31 0.00 0.00 0.00 -1.21 -5.06 105.19 101.53 1scm n GLY 151 Ca 0.21 -0.82 0.08 0.00 0.00 0.00 0.00 46.02 45.48 1scm n GLY 151 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77