#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g1k s SER 3 N 0.00 -0.27 0.14 0.00 1.04 -1.26 -4.51 113.70 108.83 1g1k s SER 3 Ca 0.00 0.12 -0.30 0.00 0.48 0.00 0.00 55.95 56.25 1g1k s SER 3 Cb 0.00 0.26 -0.07 0.00 0.10 0.00 0.00 66.02 66.31 1g1k s SER 3 CO 0.00 -0.37 1.00 -0.22 0.98 0.00 0.00 173.24 174.63 1g1k s LEU 4 N -1.87 4.51 -0.23 2.42 2.96 -0.56 -4.77 118.68 121.13 1g1k s LEU 4 Ca 0.05 1.89 -0.07 0.00 -0.22 0.00 0.00 54.13 55.78 1g1k s LEU 4 Cb -0.01 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.05 1g1k s LEU 4 CO -0.05 -0.10 0.07 -0.54 -1.32 0.00 0.00 176.35 174.42 1g1k s LYS 5 N -0.17 3.75 -0.19 1.98 -0.14 -0.25 -0.35 119.74 124.37 1g1k s LYS 5 Ca 0.47 -0.44 0.01 0.00 -1.36 0.00 0.00 55.97 54.66 1g1k s LYS 5 Cb -0.25 -3.31 0.03 0.00 -1.68 0.00 0.00 37.83 32.62 1g1k s LYS 5 CO 0.31 -0.06 -0.16 0.08 -0.76 0.00 0.00 175.35 174.76 1g1k s VAL 6 N 1.29 1.92 -0.06 3.17 1.01 -0.48 -0.32 120.40 126.93 1g1k s VAL 6 Ca 0.05 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.07 1g1k s VAL 6 Cb -0.15 -1.82 0.01 0.00 0.00 0.00 0.00 36.38 34.42 1g1k s VAL 6 CO 0.04 0.39 -0.13 -0.89 0.00 0.00 0.00 175.10 174.51 1g1k s THR 7 N 1.32 1.21 0.06 3.92 2.01 0.14 -1.51 115.64 122.79 1g1k s THR 7 Ca 0.02 -0.53 -0.21 0.00 0.31 0.00 0.00 61.69 61.28 1g1k s THR 7 Cb -0.14 -1.09 -0.06 0.00 0.01 0.00 0.00 72.50 71.21 1g1k s THR 7 CO -0.11 0.37 0.63 -0.69 -0.69 0.00 0.00 174.62 174.13 1g1k s VAL 8 N 0.56 4.73 0.00 3.82 1.01 0.07 -0.44 120.40 130.14 1g1k s VAL 8 Ca -0.13 1.34 0.00 0.00 0.00 0.00 0.00 61.98 63.19 1g1k s VAL 8 Cb -0.15 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1g1k s VAL 8 CO 0.04 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1g1k n GLY 9 N 1.99 -0.63 3.10 4.51 0.00 0.70 -3.42 105.19 111.45 1g1k n GLY 9 Ca -0.08 -1.68 -0.13 0.00 0.00 0.00 0.00 46.02 44.13 1g1k n GLY 9 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g1k s THR 10 N -0.16 0.65 0.11 2.61 2.01 -1.26 -2.07 115.64 117.53 1g1k s THR 10 Ca 0.00 -1.28 -0.06 0.00 0.31 0.00 0.00 61.69 60.65 1g1k s THR 10 Cb 0.00 -0.89 -0.02 0.00 0.01 0.00 0.00 72.50 71.61 1g1k s THR 10 CO 0.00 -0.46 0.16 0.00 -0.69 0.00 0.00 174.62 173.63 1g1k s ALA 11 N -1.82 0.12 -0.00 7.40 0.00 -0.84 -4.88 121.76 121.74 1g1k s ALA 11 Ca -0.04 -0.92 -0.05 0.00 0.00 0.00 0.00 51.96 50.95 1g1k s ALA 11 Cb -0.07 0.62 -0.00 0.00 0.00 0.00 0.00 23.12 23.67 1g1k s ALA 11 CO -0.00 -0.52 0.09 0.54 0.00 0.00 0.00 175.76 175.86 1g1k s ASN 12 N -2.93 0.06 -0.00 0.00 2.20 -1.26 -1.43 114.94 111.57 1g1k s ASN 12 Ca 0.12 -0.20 -0.12 0.00 -0.94 0.00 0.00 52.86 51.71 1g1k s ASN 12 Cb 0.05 0.18 0.04 0.00 -2.00 0.00 0.00 41.25 39.52 1g1k s ASN 12 CO -0.06 -0.28 0.55 0.61 -2.94 0.00 0.00 177.10 174.98 1g1k n GLY 13 N 1.81 0.50 3.64 0.45 0.00 -0.54 -4.94 105.19 106.10 1g1k n GLY 13 Ca -0.21 -0.93 -0.25 0.00 0.00 0.00 0.00 46.02 44.63 1g1k n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g1k s LYS 14 N -2.01 2.29 0.24 1.61 1.02 -1.26 -0.39 119.74 121.25 1g1k s LYS 14 Ca 0.13 -1.27 -0.31 0.00 0.02 0.00 0.00 55.97 54.54 1g1k s LYS 14 Cb -0.00 -2.24 -0.14 0.00 -0.52 0.00 0.00 37.83 34.93 1g1k s LYS 14 CO -0.00 0.41 1.24 -2.30 -0.92 0.00 0.00 175.35 173.78 1g1k n PRO 15 N -0.42 1.65 0.00 -1.68 -0.01 -1.26 -0.59 135.00 132.69 1g1k n PRO 15 Ca -0.09 0.58 0.00 0.00 -0.01 0.00 0.00 63.50 63.99 1g1k n PRO 15 Cb 0.57 -2.13 0.00 0.00 -0.01 0.00 0.00 33.50 31.93 1g1k n PRO 15 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1g1k n GLY 16 N 1.78 2.93 3.84 -1.23 0.00 0.13 -4.97 105.19 107.67 1g1k n GLY 16 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1g1k n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1g1k s ASP 17 N -1.24 5.77 -0.13 1.61 1.01 0.24 -4.70 116.67 119.23 1g1k s ASP 17 Ca 0.00 1.52 0.01 0.00 0.71 0.00 0.00 52.55 54.79 1g1k s ASP 17 Cb 0.00 -2.48 -0.01 0.00 1.01 0.00 0.00 42.92 41.44 1g1k s ASP 17 CO 0.00 -1.18 -0.16 -0.89 0.21 0.00 0.00 175.17 173.15 1g1k s THR 18 N -3.11 2.73 0.24 -1.27 2.01 -1.26 -0.60 115.64 114.38 1g1k s THR 18 Ca 0.57 -0.77 0.08 0.00 0.31 0.00 0.00 61.69 61.88 1g1k s THR 18 Cb -0.13 -2.13 -0.05 0.00 0.01 0.00 0.00 72.50 70.21 1g1k s THR 18 CO 0.55 0.53 -0.13 0.68 -0.69 0.00 0.00 174.62 175.56 1g1k s VAL 19 N 0.47 1.87 -0.11 3.82 -7.23 0.03 -4.94 120.40 114.31 1g1k s VAL 19 Ca -0.11 -2.23 0.01 0.00 -1.81 0.00 0.00 61.98 57.85 1g1k s VAL 19 Cb -0.16 -2.22 -0.01 0.00 0.56 0.00 0.00 36.38 34.54 1g1k s VAL 19 CO 0.05 -0.46 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.32 1g1k s THR 20 N -2.88 2.74 -0.23 5.32 2.01 -1.26 -0.71 115.64 120.63 1g1k s THR 20 Ca 0.26 -0.78 -0.01 0.00 0.31 0.00 0.00 61.69 61.47 1g1k s THR 20 Cb -0.00 -2.11 0.02 0.00 0.01 0.00 0.00 72.50 70.42 1g1k s THR 20 CO 0.10 0.54 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.78 1g1k s VAL 21 N 0.26 2.65 0.48 3.82 1.01 0.12 -4.74 120.40 124.00 1g1k s VAL 21 Ca -0.12 -1.02 -0.09 0.00 0.00 0.00 0.00 61.98 60.75 1g1k s VAL 21 Cb -0.16 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.86 1g1k s VAL 21 CO 0.06 0.28 0.85 -2.16 0.00 0.00 0.00 175.10 174.13 1g1k s PRO 22 N 1.31 3.68 -0.19 2.72 0.04 -1.26 -1.04 135.00 140.25 1g1k s PRO 22 Ca 0.01 0.48 0.01 0.00 0.04 0.00 0.00 61.00 61.54 1g1k s PRO 22 Cb -0.16 -2.30 0.02 0.00 0.04 0.00 0.00 34.50 32.11 1g1k s PRO 22 CO -0.06 -0.22 -0.18 0.08 0.04 0.00 0.00 177.00 176.65 1g1k s VAL 23 N -2.68 2.15 0.07 -0.36 1.01 0.29 -0.21 120.40 120.66 1g1k s VAL 23 Ca 0.51 -1.02 0.08 0.00 0.00 0.00 0.00 61.98 61.56 1g1k s VAL 23 Cb -0.10 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1g1k s VAL 23 CO 0.40 0.45 -0.18 -0.89 0.00 0.00 0.00 175.10 174.89 1g1k s THR 24 N 1.27 2.82 -0.02 3.92 2.01 0.41 -0.28 115.64 125.78 1g1k s THR 24 Ca 0.03 -1.31 0.02 0.00 0.31 0.00 0.00 61.69 60.74 1g1k s THR 24 Cb -0.14 -2.23 -0.03 0.00 0.01 0.00 0.00 72.50 70.10 1g1k s THR 24 CO -0.11 0.24 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.66 1g1k s PHE 25 N -1.02 2.98 0.02 4.92 2.99 -0.31 -0.68 117.98 126.89 1g1k s PHE 25 Ca 0.16 0.03 -0.02 0.00 0.00 0.00 0.00 56.93 57.10 1g1k s PHE 25 Cb -0.11 -1.66 -0.02 0.00 0.00 0.00 0.00 43.02 41.24 1g1k s PHE 25 CO 0.07 0.41 0.01 0.00 -0.00 0.00 0.00 175.22 175.71 1g1k s ALA 26 N -0.99 0.09 -1.13 5.36 0.00 0.57 -1.66 121.76 123.99 1g1k s ALA 26 Ca 0.17 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1g1k s ALA 26 Cb -0.11 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.18 1g1k s ALA 26 CO 0.07 -0.21 0.00 -0.25 0.00 0.00 0.00 175.76 175.37 1g1k n ASP 27 N 1.32 -4.10 0.22 0.00 8.00 -1.26 -1.09 116.55 119.63 1g1k n ASP 27 Ca -0.22 -0.01 -0.15 0.00 0.71 0.00 0.00 54.79 55.12 1g1k n ASP 27 Cb 0.56 -3.28 -0.08 0.00 -0.02 0.00 0.00 41.12 38.30 1g1k n ASP 27 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1g1k h VAL 28 N 0.00 0.61 -0.75 2.53 2.07 -1.88 -2.55 116.25 116.28 1g1k h VAL 28 Ca -0.31 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1g1k h VAL 28 Cb 1.22 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 1g1k h VAL 28 CO 0.37 0.00 0.48 0.00 0.02 0.00 0.00 177.57 178.43 1g1k h ALA 29 N 0.13 1.42 -0.16 1.67 0.00 -1.92 -1.11 119.26 119.30 1g1k h ALA 29 Ca -0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1g1k h ALA 29 Cb 0.40 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1g1k h ALA 29 CO 0.07 0.52 -0.03 0.87 0.00 0.00 0.00 179.25 180.68 1g1k h LYS 30 N 1.03 0.23 -0.29 0.00 1.57 -1.92 -2.46 116.57 114.73 1g1k h LYS 30 Ca 0.27 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1g1k h LYS 30 Cb -0.08 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1g1k h LYS 30 CO -0.06 0.28 0.00 -1.33 -0.57 0.00 0.00 179.45 177.78 1g1k n MET 31 N -4.37 1.85 -1.45 3.15 2.81 -0.44 -4.94 117.12 113.72 1g1k n MET 31 Ca -0.01 -1.31 -0.02 0.00 -1.81 0.00 0.00 57.70 54.55 1g1k n MET 31 Cb 0.19 -1.35 -0.01 0.00 -0.71 0.00 0.00 33.22 31.34 1g1k n MET 31 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1g1k n LYS 32 N 0.54 -0.17 -0.90 0.03 4.01 -0.93 -4.80 118.16 115.94 1g1k n LYS 32 Ca 0.15 0.40 0.12 0.00 -0.51 0.00 0.00 58.31 58.47 1g1k n LYS 32 Cb 0.34 -4.01 -0.03 0.00 -0.51 0.00 0.00 35.03 30.82 1g1k n LYS 32 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1g1k n ASN 33 N 1.60 -7.27 -4.14 4.39 0.23 -1.10 -2.00 115.26 106.96 1g1k n ASN 33 Ca -0.02 0.97 -0.33 0.00 -0.53 0.00 0.00 54.58 54.66 1g1k n ASN 33 Cb 0.25 -2.73 -0.15 0.00 -2.08 0.00 0.00 39.78 35.06 1g1k n ASN 33 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1g1k s VAL 34 N -1.41 2.29 -0.12 3.53 1.01 -1.08 -1.75 120.40 122.85 1g1k s VAL 34 Ca 0.00 -1.03 0.19 0.00 0.00 0.00 0.00 61.98 61.14 1g1k s VAL 34 Cb 0.00 -2.06 -0.25 0.00 0.00 0.00 0.00 36.38 34.07 1g1k s VAL 34 CO 0.00 0.39 0.39 0.61 0.00 0.00 0.00 175.10 176.50 1g1k n GLY 35 N 4.61 -1.05 3.45 4.51 0.00 0.05 -1.95 105.19 114.81 1g1k n GLY 35 Ca -0.19 -0.35 -0.15 0.00 0.00 0.00 0.00 46.02 45.33 1g1k n GLY 35 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1g1k s THR 36 N -2.95 0.01 0.07 2.61 -1.32 -1.03 -0.59 115.64 112.44 1g1k s THR 36 Ca -0.08 -0.08 -0.26 0.00 -1.21 0.00 0.00 61.69 60.07 1g1k s THR 36 Cb 0.09 -0.83 0.08 0.00 -1.51 0.00 0.00 72.50 70.34 1g1k s THR 36 CO 0.85 -0.04 0.71 0.00 -2.21 0.00 0.00 174.62 173.93 1g1k s ASN 38 N -2.41 -0.82 0.23 0.00 3.84 -0.01 -0.69 114.94 115.07 1g1k s ASN 38 Ca 0.01 1.30 -0.22 0.00 0.21 0.00 0.00 52.86 54.16 1g1k s ASN 38 Cb -0.01 1.38 0.04 0.00 -0.55 0.00 0.00 41.25 42.11 1g1k s ASN 38 CO -0.08 -0.20 0.77 0.72 -2.79 0.00 0.00 177.10 175.51 1g1k s PHE 39 N 1.62 -0.21 0.06 0.43 -0.12 -1.01 -0.48 117.98 118.25 1g1k s PHE 39 Ca -0.09 -0.17 0.05 0.00 -0.05 0.00 0.00 56.93 56.66 1g1k s PHE 39 Cb -0.05 0.67 -0.03 0.00 -0.63 0.00 0.00 43.02 42.99 1g1k s PHE 39 CO -0.18 -1.08 -0.13 0.71 -0.05 0.00 0.00 175.22 174.49 1g1k s TYR 40 N -3.72 1.12 0.03 3.49 1.51 -1.25 -1.29 117.35 117.23 1g1k s TYR 40 Ca 0.10 -0.43 0.08 0.00 -1.01 0.00 0.00 57.07 55.81 1g1k s TYR 40 Cb -0.04 -0.64 -0.02 0.00 -0.11 0.00 0.00 41.96 41.14 1g1k s TYR 40 CO 0.03 0.03 -0.23 -0.51 -1.11 0.00 0.00 175.55 173.77 1g1k s LEU 41 N -1.53 2.13 0.07 -1.29 1.43 -0.57 -1.06 118.68 117.86 1g1k s LEU 41 Ca -0.02 -0.50 0.04 0.00 -1.03 0.00 0.00 54.13 52.61 1g1k s LEU 41 Cb -0.09 -1.10 -0.04 0.00 0.03 0.00 0.00 46.19 44.99 1g1k s LEU 41 CO 0.02 0.22 0.02 -0.83 0.23 0.00 0.00 176.35 176.00 1g1k s GLY 42 N -1.01 1.93 0.05 -3.19 0.00 0.27 -0.96 107.32 104.41 1g1k s GLY 42 Ca 0.09 -1.05 -0.04 0.00 0.00 0.00 0.00 44.72 43.72 1g1k s GLY 42 CO 0.01 -1.01 0.05 -2.52 0.00 0.00 0.00 173.10 169.64 1g1k s TYR 43 N -1.28 0.31 -0.56 1.90 1.13 0.11 -1.35 117.35 117.61 1g1k s TYR 43 Ca 0.25 -0.72 -0.27 0.00 -1.41 0.00 0.00 57.07 54.93 1g1k s TYR 43 Cb -0.12 -0.22 0.03 0.00 -1.10 0.00 0.00 41.96 40.55 1g1k s TYR 43 CO 0.17 -0.38 1.10 0.34 -2.51 0.00 0.00 175.55 174.27 1g1k s ASP 44 N -2.44 6.44 0.62 -0.18 3.68 -1.26 -4.32 116.67 119.20 1g1k s ASP 44 Ca -0.00 0.01 0.38 0.00 2.13 0.00 0.00 52.55 55.07 1g1k s ASP 44 Cb 0.02 -2.51 2.05 0.00 -1.45 0.00 0.00 42.92 41.03 1g1k s ASP 44 CO -0.07 -1.36 2.26 0.00 0.13 0.00 0.00 175.17 176.12 1g1k h ALA 45 N 9.42 1.12 0.00 3.66 0.00 -1.91 0.96 119.26 132.51 1g1k h ALA 45 Ca -0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1g1k h ALA 45 Cb 1.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1g1k h ALA 45 CO 1.14 0.02 0.00 0.66 0.00 0.00 0.00 179.25 181.07 1g1k h SER 46 N 0.00 0.00 0.00 0.00 4.64 -2.02 -3.34 113.55 112.83 1g1k h SER 46 Ca -0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 1g1k h SER 46 Cb 0.12 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.19 1g1k h SER 46 CO 0.00 0.00 -1.58 0.18 -0.87 0.00 0.00 176.83 174.56 1g1k n LEU 47 N -2.91 0.21 -4.25 5.97 7.99 -0.45 -4.85 117.00 118.71 1g1k n LEU 47 Ca 0.03 -0.00 -0.24 0.00 -0.01 0.00 0.00 56.01 55.79 1g1k n LEU 47 Cb 0.45 0.17 -0.13 0.00 -0.11 0.00 0.00 43.42 43.79 1g1k n LEU 47 CO 0.31 0.24 -0.51 -0.76 -1.51 0.00 0.00 177.39 175.16 1g1k s LEU 48 N -4.69 2.24 -0.13 2.23 1.43 0.21 -0.58 118.68 119.38 1g1k s LEU 48 Ca -0.05 -0.60 0.03 0.00 -1.03 0.00 0.00 54.13 52.48 1g1k s LEU 48 Cb 0.03 -0.86 0.01 0.00 0.03 0.00 0.00 46.19 45.40 1g1k s LEU 48 CO 0.34 0.08 -0.21 -0.70 0.23 0.00 0.00 176.35 176.08 1g1k s GLU 49 N -1.57 2.89 -0.15 1.70 2.12 -0.56 -4.27 118.70 118.86 1g1k s GLU 49 Ca 0.06 -0.81 -0.22 0.00 0.36 0.00 0.00 54.97 54.36 1g1k s GLU 49 Cb -0.09 -2.32 -0.03 0.00 0.26 0.00 0.00 34.13 31.95 1g1k s GLU 49 CO 0.03 0.01 0.67 0.14 -0.54 0.00 0.00 175.26 175.57 1g1k s VAL 50 N 0.75 5.02 -0.01 3.70 -7.23 -1.26 0.05 120.40 121.42 1g1k s VAL 50 Ca -0.09 1.31 -0.07 0.00 -1.81 0.00 0.00 61.98 61.31 1g1k s VAL 50 Cb -0.16 -3.99 -0.30 0.00 0.56 0.00 0.00 36.38 32.50 1g1k s VAL 50 CO 0.00 0.16 0.79 0.58 -0.31 0.00 0.00 175.10 176.33 1g1k h VAL 51 N 5.01 1.08 -1.44 1.32 2.07 -0.68 -3.48 116.25 120.13 1g1k h VAL 51 Ca -0.35 -2.67 0.26 0.00 0.82 0.00 0.00 66.70 64.76 1g1k h VAL 51 Cb 1.16 2.79 -0.19 0.00 -1.52 0.00 0.00 31.29 33.53 1g1k h VAL 51 CO 0.78 0.83 0.82 -0.94 0.02 0.00 0.00 177.57 179.08 1g1k s SER 52 N -7.16 -0.12 -0.05 0.57 1.04 -1.16 -4.99 113.70 101.82 1g1k s SER 52 Ca -0.12 -0.01 0.01 0.00 0.48 0.00 0.00 55.95 56.31 1g1k s SER 52 Cb 0.06 0.14 0.02 0.00 0.10 0.00 0.00 66.02 66.34 1g1k s SER 52 CO 0.86 -0.22 -0.05 -0.69 0.98 0.00 0.00 173.24 174.12 1g1k s VAL 53 N -2.39 0.60 0.05 5.02 1.01 -1.26 -0.19 120.40 123.23 1g1k s VAL 53 Ca 0.10 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.00 1g1k s VAL 53 Cb -0.01 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 1g1k s VAL 53 CO -0.04 0.25 -0.14 -1.81 0.00 0.00 0.00 175.10 173.36 1g1k s ASP 54 N 1.10 1.64 0.49 3.32 1.01 -0.21 -4.94 116.67 119.08 1g1k s ASP 54 Ca -0.08 -0.50 -0.23 0.00 0.71 0.00 0.00 52.55 52.45 1g1k s ASP 54 Cb -0.14 -0.09 -0.06 0.00 1.01 0.00 0.00 42.92 43.64 1g1k s ASP 54 CO -0.01 0.00 1.30 0.00 0.21 0.00 0.00 175.17 176.67 1g1k s ALA 55 N -0.96 2.97 0.69 5.23 0.00 -1.26 -0.77 121.76 127.65 1g1k s ALA 55 Ca 0.00 1.21 0.02 0.00 0.00 0.00 0.00 51.96 53.20 1g1k s ALA 55 Cb -0.08 -3.50 0.12 0.00 0.00 0.00 0.00 23.12 19.66 1g1k s ALA 55 CO 0.01 -1.06 0.95 0.20 0.00 0.00 0.00 175.76 175.86 1g1k s GLY 56 N -1.01 1.75 0.38 0.00 0.00 0.13 -4.68 107.32 103.89 1g1k s GLY 56 Ca 0.66 -1.88 0.17 0.00 0.00 0.00 0.00 44.72 43.67 1g1k s GLY 56 CO 0.45 -1.32 1.76 -2.55 0.00 0.00 0.00 173.10 171.43 1g1k h PRO 57 N -0.37 0.41 0.00 2.90 0.11 -1.83 -1.63 132.00 131.59 1g1k h PRO 57 Ca -0.34 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1g1k h PRO 57 Cb 1.27 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1g1k h PRO 57 CO 0.39 0.27 0.00 0.44 -0.21 0.00 0.00 178.00 178.89 1g1k n ILE 58 N -4.68 0.37 -3.33 4.15 -5.35 -1.18 -4.63 119.36 104.71 1g1k n ILE 58 Ca 0.26 0.09 -0.41 0.00 -0.27 0.00 0.00 62.75 62.42 1g1k n ILE 58 Cb 0.87 -0.72 -0.09 0.00 -1.74 0.00 0.00 39.64 37.97 1g1k n ILE 58 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1g1k s VAL 59 N -2.74 5.10 -0.02 7.28 1.01 -0.61 -4.59 120.40 125.82 1g1k s VAL 59 Ca 0.17 0.18 -0.13 0.00 0.00 0.00 0.00 61.98 62.20 1g1k s VAL 59 Cb 0.15 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 1g1k s VAL 59 CO 0.37 -0.15 0.36 -0.54 0.00 0.00 0.00 175.10 175.14 1g1k s LYS 60 N 2.19 3.82 -1.27 2.72 1.02 -1.26 -4.30 119.74 122.66 1g1k s LYS 60 Ca 0.15 0.30 -0.03 0.00 0.02 0.00 0.00 55.97 56.41 1g1k s LYS 60 Cb -0.16 -3.21 -0.01 0.00 -0.52 0.00 0.00 37.83 33.93 1g1k s LYS 60 CO 0.12 0.71 0.74 -1.71 -0.92 0.00 0.00 175.35 174.29 1g1k n ASN 61 N 1.83 -2.02 -0.26 2.83 4.05 -1.26 -4.71 115.26 115.72 1g1k n ASN 61 Ca -0.15 -0.82 0.04 0.00 0.45 0.00 0.00 54.58 54.09 1g1k n ASN 61 Cb 0.53 -4.12 0.17 0.00 1.23 0.00 0.00 39.78 37.59 1g1k n ASN 61 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1g1k h ALA 62 N 0.79 1.05 -0.80 5.20 0.00 -1.96 -1.57 119.26 121.97 1g1k h ALA 62 Ca -0.62 0.09 0.23 0.00 0.00 0.00 0.00 54.91 54.61 1g1k h ALA 62 Cb 1.35 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 1g1k h ALA 62 CO 0.54 -0.13 0.63 0.00 0.00 0.00 0.00 179.25 180.30 1g1k h ALA 63 N 1.50 2.70 0.00 0.00 0.00 -1.90 0.55 119.26 122.11 1g1k h ALA 63 Ca 0.39 -0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.97 1g1k h ALA 63 Cb 0.52 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 1g1k h ALA 63 CO -0.34 -1.05 -2.14 0.28 0.00 0.00 0.00 179.25 176.01 1g1k n VAL 64 N -4.09 1.14 1.01 0.00 0.31 -0.68 -4.69 118.33 111.33 1g1k n VAL 64 Ca 0.16 -0.55 0.11 0.00 -0.01 0.00 0.00 64.34 64.05 1g1k n VAL 64 Cb 0.92 -0.93 -0.04 0.00 -0.91 0.00 0.00 33.84 32.88 1g1k n VAL 64 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1g1k n ASN 65 N -2.87 1.08 -4.31 4.52 5.03 -0.68 -4.91 115.26 113.12 1g1k n ASN 65 Ca -0.32 -0.97 -0.28 0.00 0.87 0.00 0.00 54.58 53.88 1g1k n ASN 65 Cb 0.95 0.80 -0.14 0.00 -1.02 0.00 0.00 39.78 40.36 1g1k n ASN 65 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1g1k s PHE 66 N -2.91 2.11 -0.11 3.10 5.36 0.16 -0.46 117.98 125.23 1g1k s PHE 66 Ca 0.10 -0.40 -0.07 0.00 -0.96 0.00 0.00 56.93 55.61 1g1k s PHE 66 Cb 0.17 -1.26 0.04 0.00 -0.34 0.00 0.00 43.02 41.62 1g1k s PHE 66 CO 0.79 0.11 0.27 0.45 -1.46 0.00 0.00 175.22 175.39 1g1k s SER 67 N -1.21 -0.30 -0.06 6.13 0.15 -0.16 -4.73 113.70 113.52 1g1k s SER 67 Ca 0.10 0.57 -0.02 0.00 0.70 0.00 0.00 55.95 57.30 1g1k s SER 67 Cb -0.09 0.49 0.04 0.00 -1.71 0.00 0.00 66.02 64.75 1g1k s SER 67 CO 0.02 -0.14 0.12 -0.94 1.20 0.00 0.00 173.24 173.49 1g1k s SER 68 N 0.90 -0.01 -0.01 5.45 1.04 -1.26 -0.39 113.70 119.42 1g1k s SER 68 Ca -0.06 0.24 0.02 0.00 0.48 0.00 0.00 55.95 56.63 1g1k s SER 68 Cb -0.07 0.13 -0.01 0.00 0.10 0.00 0.00 66.02 66.17 1g1k s SER 68 CO -0.06 -0.15 -0.07 -0.94 0.98 0.00 0.00 173.24 173.00 1g1k s SER 69 N 1.23 0.85 -0.32 7.02 1.04 -1.02 -4.97 113.70 117.52 1g1k s SER 69 Ca -0.08 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1g1k s SER 69 Cb -0.12 -0.10 0.07 0.00 0.10 0.00 0.00 66.02 65.98 1g1k s SER 69 CO -0.05 0.09 0.02 0.00 0.98 0.00 0.00 173.24 174.27 1g1k s ALA 70 N -0.16 2.83 -0.04 5.32 0.00 -1.26 -0.37 121.76 128.09 1g1k s ALA 70 Ca 0.03 -2.06 0.02 0.00 0.00 0.00 0.00 51.96 49.94 1g1k s ALA 70 Cb -0.03 -1.94 0.01 0.00 0.00 0.00 0.00 23.12 21.16 1g1k s ALA 70 CO -0.00 -1.44 -0.09 0.45 0.00 0.00 0.00 175.76 174.68 1g1k s SER 71 N 1.25 1.29 -1.27 0.00 0.15 -0.01 -4.98 113.70 110.13 1g1k s SER 71 Ca -0.00 -0.20 -0.11 0.00 0.70 0.00 0.00 55.95 56.33 1g1k s SER 71 Cb -0.20 -0.48 -0.00 0.00 -1.71 0.00 0.00 66.02 63.63 1g1k s SER 71 CO -0.04 0.03 0.62 0.59 1.20 0.00 0.00 173.24 175.64 1g1k n ASN 72 N 3.59 -2.78 0.00 5.45 4.13 -1.26 -1.55 115.26 122.85 1g1k n ASN 72 Ca -0.21 -1.01 0.00 0.00 1.68 0.00 0.00 54.58 55.04 1g1k n ASN 72 Cb 0.53 -3.21 0.00 0.00 -1.54 0.00 0.00 39.78 35.56 1g1k n ASN 72 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1g1k n GLY 73 N -1.83 3.20 3.38 7.41 0.00 -1.26 -4.94 105.19 111.15 1g1k n GLY 73 Ca -0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 1g1k n GLY 73 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1g1k s THR 74 N -2.19 2.40 -0.13 2.61 -1.32 -0.59 0.05 115.64 116.47 1g1k s THR 74 Ca 0.00 -1.12 0.02 0.00 -1.21 0.00 0.00 61.69 59.39 1g1k s THR 74 Cb 0.00 -1.91 0.00 0.00 -1.51 0.00 0.00 72.50 69.08 1g1k s THR 74 CO 0.00 0.49 -0.21 -0.63 -2.21 0.00 0.00 174.62 172.06 1g1k s ILE 75 N -0.74 2.22 -0.10 5.08 1.01 -0.14 -0.83 121.20 127.70 1g1k s ILE 75 Ca 0.12 -0.94 -0.03 0.00 0.00 0.00 0.00 60.65 59.79 1g1k s ILE 75 Cb -0.10 -1.88 -0.03 0.00 0.01 0.00 0.00 42.46 40.45 1g1k s ILE 75 CO 0.01 0.55 0.04 -0.94 0.00 0.00 0.00 174.94 174.59 1g1k s SER 76 N 0.62 5.53 -0.08 3.58 1.04 0.50 -1.52 113.70 123.37 1g1k s SER 76 Ca -0.11 0.22 0.03 0.00 0.48 0.00 0.00 55.95 56.57 1g1k s SER 76 Cb -0.16 -1.64 0.01 0.00 0.10 0.00 0.00 66.02 64.32 1g1k s SER 76 CO 0.03 0.38 -0.17 -0.36 0.98 0.00 0.00 173.24 174.09 1g1k s PHE 77 N -0.86 1.96 -0.04 5.02 0.40 -0.42 -2.45 117.98 121.60 1g1k s PHE 77 Ca 0.13 -0.79 0.02 0.00 -0.60 0.00 0.00 56.93 55.69 1g1k s PHE 77 Cb -0.12 -1.37 0.01 0.00 0.51 0.00 0.00 43.02 42.06 1g1k s PHE 77 CO 0.03 -0.36 -0.07 -1.17 0.70 0.00 0.00 175.22 174.35 1g1k s LEU 78 N 0.58 1.55 -0.05 -0.37 1.98 0.48 -2.41 118.68 120.44 1g1k s LEU 78 Ca -0.15 -0.17 0.01 0.00 -2.89 0.00 0.00 54.13 50.93 1g1k s LEU 78 Cb -0.17 -0.53 0.02 0.00 0.66 0.00 0.00 46.19 46.18 1g1k s LEU 78 CO 0.05 0.00 -0.05 0.12 -1.89 0.00 0.00 176.35 174.58 1g1k s PHE 79 N 0.61 0.84 -0.15 5.38 5.36 0.13 -0.99 117.98 129.15 1g1k s PHE 79 Ca -0.09 -0.25 -0.04 0.00 -0.96 0.00 0.00 56.93 55.58 1g1k s PHE 79 Cb -0.12 -0.73 0.07 0.00 -0.34 0.00 0.00 43.02 41.89 1g1k s PHE 79 CO 0.01 -0.22 0.17 -1.17 -1.46 0.00 0.00 175.22 172.55 1g1k s LEU 80 N 1.00 -0.02 -0.34 6.12 0.20 0.40 -1.34 118.68 124.70 1g1k s LEU 80 Ca -0.10 -0.05 0.01 0.00 0.69 0.00 0.00 54.13 54.68 1g1k s LEU 80 Cb -0.14 0.23 0.14 0.00 -0.43 0.00 0.00 46.19 45.99 1g1k s LEU 80 CO -0.00 -0.30 0.29 -0.62 -0.29 0.00 0.00 176.35 175.43 1g1k s ASP 81 N 2.28 1.98 0.18 3.68 3.68 0.24 -4.60 116.67 124.11 1g1k s ASP 81 Ca 0.04 -1.56 0.21 0.00 2.13 0.00 0.00 52.55 53.37 1g1k s ASP 81 Cb -0.14 0.20 -0.02 0.00 -1.45 0.00 0.00 42.92 41.51 1g1k s ASP 81 CO -0.09 -0.31 1.02 0.78 0.13 0.00 0.00 175.17 176.70 1g1k h ASN 82 N 7.40 0.00 0.00 -0.34 2.35 -1.97 -3.43 115.58 119.59 1g1k h ASN 82 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1g1k h ASN 82 Cb 1.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.40 1g1k h ASN 82 CO 0.26 0.17 -0.35 0.35 -1.65 0.00 0.00 177.43 176.21 1g1k n THR 83 N -2.77 0.00 -3.47 2.81 -2.24 -1.26 -4.94 114.28 102.42 1g1k n THR 83 Ca -0.02 -0.24 -0.43 0.00 -2.27 0.00 0.00 64.05 61.09 1g1k n THR 83 Cb 0.63 0.75 -0.07 0.00 -2.10 0.00 0.00 70.33 69.54 1g1k n THR 83 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1g1k s ILE 84 N -1.18 4.56 0.37 2.28 -1.09 -1.26 -4.96 121.20 119.92 1g1k s ILE 84 Ca 0.00 -1.73 0.09 0.00 -2.23 0.00 0.00 60.65 56.78 1g1k s ILE 84 Cb 0.00 -3.97 0.31 0.00 -1.58 0.00 0.00 42.46 37.22 1g1k s ILE 84 CO 0.00 -0.81 1.92 0.71 -1.23 0.00 0.00 174.94 175.53 1g1k h THR 85 N 6.01 0.92 0.00 2.92 1.35 -1.94 -1.03 112.91 121.15 1g1k h THR 85 Ca -0.23 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1g1k h THR 85 Cb 1.08 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 1g1k h THR 85 CO 0.92 0.12 0.00 -0.90 -0.25 0.00 0.00 175.52 175.41 1g1k n ASP 86 N -4.51 0.00 -0.47 5.36 5.68 -1.26 -2.65 116.55 118.71 1g1k n ASP 86 Ca 0.13 -1.15 0.05 0.00 -0.50 0.00 0.00 54.79 53.33 1g1k n ASP 86 Cb 0.36 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.41 1g1k n ASP 86 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1g1k n GLU 87 N -0.84 1.13 -0.96 0.11 1.02 -0.39 -4.99 120.64 115.72 1g1k n GLU 87 Ca 0.14 -1.37 -0.32 0.00 -0.02 0.00 0.00 57.16 55.59 1g1k n GLU 87 Cb 0.06 -1.22 0.14 0.00 -0.02 0.00 0.00 31.44 30.40 1g1k n GLU 87 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1g1k s LEU 88 N -0.91 2.97 -0.28 -4.62 1.02 -1.08 -4.35 118.68 111.43 1g1k s LEU 88 Ca 0.15 2.13 -0.22 0.00 0.02 0.00 0.00 54.13 56.21 1g1k s LEU 88 Cb 0.09 -4.56 -0.01 0.00 0.02 0.00 0.00 46.19 41.74 1g1k s LEU 88 CO 0.14 -2.71 0.72 -0.63 0.02 0.00 0.00 176.35 173.89 1g1k s ILE 89 N -2.60 4.89 0.00 -0.59 1.01 -0.82 -4.78 121.20 118.31 1g1k s ILE 89 Ca 0.67 1.16 0.00 0.00 0.00 0.00 0.00 60.65 62.48 1g1k s ILE 89 Cb -0.22 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.20 1g1k s ILE 89 CO 0.55 -0.12 0.00 0.35 0.00 0.00 0.00 174.94 175.72 1g1k n THR 90 N 5.36 0.00 -4.29 2.92 -2.24 -1.26 -2.65 114.28 112.12 1g1k n THR 90 Ca 0.02 -0.42 -0.24 0.00 -2.27 0.00 0.00 64.05 61.14 1g1k n THR 90 Cb 0.48 0.98 -0.08 0.00 -2.10 0.00 0.00 70.33 69.62 1g1k n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g1k s ALA 91 N -0.90 3.12 0.28 6.98 0.00 -1.26 -4.21 121.76 125.77 1g1k s ALA 91 Ca 0.00 -1.62 -0.21 0.00 0.00 0.00 0.00 51.96 50.14 1g1k s ALA 91 Cb 0.00 -0.77 -0.09 0.00 0.00 0.00 0.00 23.12 22.26 1g1k s ALA 91 CO 0.00 0.31 0.80 -0.51 0.00 0.00 0.00 175.76 176.36 1g1k s ASP 92 N -3.50 7.08 0.00 0.00 1.11 -1.26 -4.82 116.67 115.28 1g1k s ASP 92 Ca 0.30 1.53 0.00 0.00 0.18 0.00 0.00 52.55 54.56 1g1k s ASP 92 Cb -0.07 -2.46 0.00 0.00 1.07 0.00 0.00 42.92 41.46 1g1k s ASP 92 CO 0.19 -0.05 0.00 0.61 1.18 0.00 0.00 175.17 177.10 1g1k n GLY 93 N 0.44 -0.57 3.65 0.21 0.00 -0.67 -4.96 105.19 103.30 1g1k n GLY 93 Ca 0.00 -1.34 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 1g1k n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g1k s VAL 94 N -2.87 4.25 0.01 1.61 1.01 -1.26 -1.16 120.40 121.97 1g1k s VAL 94 Ca 0.00 1.47 -0.09 0.00 0.00 0.00 0.00 61.98 63.36 1g1k s VAL 94 Cb 0.00 -4.06 -0.31 0.00 0.00 0.00 0.00 36.38 32.00 1g1k s VAL 94 CO 0.00 -0.26 0.88 0.15 0.00 0.00 0.00 175.10 175.87 1g1k h PHE 95 N 8.57 0.70 -2.65 5.22 3.57 -0.96 -3.01 116.94 128.38 1g1k h PHE 95 Ca -0.26 -0.51 -0.07 0.00 3.53 0.00 0.00 57.97 60.66 1g1k h PHE 95 Cb 1.10 -0.03 -0.17 0.00 2.79 0.00 0.00 35.95 39.64 1g1k h PHE 95 CO 0.83 1.51 0.01 0.00 -2.23 0.00 0.00 178.31 178.43 1g1k s ALA 96 N -2.61 -1.32 -0.15 2.41 0.00 -1.12 0.18 121.76 119.16 1g1k s ALA 96 Ca -0.10 0.70 0.02 0.00 0.00 0.00 0.00 51.96 52.58 1g1k s ALA 96 Cb 0.06 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.42 1g1k s ALA 96 CO 0.89 -0.43 -0.20 -0.80 0.00 0.00 0.00 175.76 175.22 1g1k s ASN 97 N -1.68 3.23 -0.19 0.00 0.02 0.05 -0.55 114.94 115.82 1g1k s ASN 97 Ca -0.08 -0.58 -0.07 0.00 -1.02 0.00 0.00 52.86 51.11 1g1k s ASN 97 Cb -0.01 -1.48 -0.03 0.00 0.02 0.00 0.00 41.25 39.75 1g1k s ASN 97 CO 0.02 0.07 0.04 -0.63 0.02 0.00 0.00 177.10 176.62 1g1k s ILE 98 N 0.90 4.46 -0.23 0.60 1.01 -0.21 -1.05 121.20 126.69 1g1k s ILE 98 Ca -0.05 -0.14 -0.09 0.00 0.00 0.00 0.00 60.65 60.37 1g1k s ILE 98 Cb -0.15 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.26 1g1k s ILE 98 CO -0.03 0.43 0.10 -0.54 0.00 0.00 0.00 174.94 174.90 1g1k s LYS 99 N 0.71 3.90 0.02 2.79 1.02 0.73 0.14 119.74 129.06 1g1k s LYS 99 Ca 0.02 -0.36 0.07 0.00 0.02 0.00 0.00 55.97 55.72 1g1k s LYS 99 Cb -0.14 -3.38 -0.03 0.00 -0.52 0.00 0.00 37.83 33.77 1g1k s LYS 99 CO 0.02 0.03 -0.19 -0.06 -0.92 0.00 0.00 175.35 174.23 1g1k s PHE 100 N 1.06 2.52 -0.14 3.18 0.08 0.11 0.10 117.98 124.90 1g1k s PHE 100 Ca 0.05 -0.28 -0.05 0.00 0.12 0.00 0.00 56.93 56.77 1g1k s PHE 100 Cb -0.14 -1.48 -0.04 0.00 -0.57 0.00 0.00 43.02 40.79 1g1k s PHE 100 CO 0.04 0.19 0.04 0.21 -0.10 0.00 0.00 175.22 175.61 1g1k s LYS 101 N -1.22 3.54 -0.07 0.44 2.20 0.11 -0.79 119.74 123.94 1g1k s LYS 101 Ca 0.13 -0.35 -0.22 0.00 -0.36 0.00 0.00 55.97 55.17 1g1k s LYS 101 Cb -0.10 -3.04 -0.04 0.00 -1.51 0.00 0.00 37.83 33.14 1g1k s LYS 101 CO 0.03 0.49 0.65 -0.51 -0.36 0.00 0.00 175.35 175.65 1g1k s LEU 102 N -0.26 4.31 0.66 5.43 1.02 0.23 -1.50 118.68 128.57 1g1k s LEU 102 Ca 0.07 1.11 -0.05 0.00 0.02 0.00 0.00 54.13 55.28 1g1k s LEU 102 Cb -0.12 -2.99 0.05 0.00 0.02 0.00 0.00 46.19 43.14 1g1k s LEU 102 CO 0.02 -0.08 0.95 -0.54 0.02 0.00 0.00 176.35 176.72 1g1k s LYS 103 N 0.71 2.36 0.65 1.70 1.02 0.25 0.20 119.74 126.62 1g1k s LYS 103 Ca 0.35 -0.32 -0.15 0.00 0.02 0.00 0.00 55.97 55.87 1g1k s LYS 103 Cb -0.17 -2.24 -0.01 0.00 -0.52 0.00 0.00 37.83 34.89 1g1k s LYS 103 CO 0.16 -1.07 1.10 -1.12 -0.92 0.00 0.00 175.35 173.51 1g1k s SER 104 N -4.47 5.20 0.04 2.83 0.01 -1.26 -4.45 113.70 111.60 1g1k s SER 104 Ca 0.59 1.98 -0.06 0.00 1.31 0.00 0.00 55.95 59.76 1g1k s SER 104 Cb -0.11 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.57 1g1k s SER 104 CO 0.44 -1.57 0.11 0.68 0.41 0.00 0.00 173.24 173.31 1g1k s VAL 105 N -2.35 0.13 0.03 3.43 -7.23 -1.26 -4.96 120.40 108.18 1g1k s VAL 105 Ca 0.66 -1.04 -0.19 0.00 -1.81 0.00 0.00 61.98 59.61 1g1k s VAL 105 Cb -0.20 -0.87 -0.19 0.00 0.56 0.00 0.00 36.38 35.68 1g1k s VAL 105 CO 0.41 -0.57 1.19 0.74 -0.31 0.00 0.00 175.10 176.56 1g1k h THR 106 N 3.67 1.39 -3.94 5.32 2.02 -1.99 -3.45 112.91 115.93 1g1k h THR 106 Ca -0.32 -1.85 -0.21 0.00 0.77 0.00 0.00 66.41 64.80 1g1k h THR 106 Cb 1.19 2.31 -0.15 0.00 -1.74 0.00 0.00 68.15 69.76 1g1k h THR 106 CO 0.49 0.55 -0.68 0.00 0.37 0.00 0.00 175.52 176.25 1g1k s ALA 107 N -3.58 0.94 0.09 6.16 0.00 -1.26 -4.93 121.76 119.18 1g1k s ALA 107 Ca -0.13 -1.38 -0.36 0.00 0.00 0.00 0.00 51.96 50.09 1g1k s ALA 107 Cb 0.05 0.31 -0.18 0.00 0.00 0.00 0.00 23.12 23.30 1g1k s ALA 107 CO 0.81 -0.30 1.10 1.17 0.00 0.00 0.00 175.76 178.54 1g1k n LYS 108 N -0.05 0.57 -3.91 0.00 4.81 -1.26 -4.76 118.16 113.56 1g1k n LYS 108 Ca -0.11 0.21 -0.15 0.00 -0.87 0.00 0.00 58.31 57.39 1g1k n LYS 108 Cb 0.61 -1.69 -0.15 0.00 0.02 0.00 0.00 35.03 33.83 1g1k n LYS 108 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1g1k s THR 109 N -0.04 0.11 -0.32 3.15 2.01 -0.12 -4.99 115.64 115.43 1g1k s THR 109 Ca 0.82 0.05 -0.05 0.00 0.31 0.00 0.00 61.69 62.81 1g1k s THR 109 Cb -1.05 -0.17 0.04 0.00 0.01 0.00 0.00 72.50 71.33 1g1k s THR 109 CO 0.53 0.09 0.07 -0.89 -0.69 0.00 0.00 174.62 173.73 1g1k s THR 110 N 0.58 3.59 -0.16 -0.82 2.01 -1.26 0.01 115.64 119.59 1g1k s THR 110 Ca -0.05 -1.14 -0.05 0.00 0.31 0.00 0.00 61.69 60.76 1g1k s THR 110 Cb -0.08 -3.01 -0.03 0.00 0.01 0.00 0.00 72.50 69.39 1g1k s THR 110 CO -0.01 -0.12 0.00 0.28 -0.69 0.00 0.00 174.62 174.08 1g1k s THR 111 N 1.38 4.27 0.35 -0.82 -1.32 0.05 -4.93 115.64 114.62 1g1k s THR 111 Ca -0.02 -0.23 -0.25 0.00 -1.21 0.00 0.00 61.69 59.98 1g1k s THR 111 Cb -0.19 -2.88 -0.10 0.00 -1.51 0.00 0.00 72.50 67.82 1g1k s THR 111 CO 0.02 0.50 0.99 -2.16 -2.21 0.00 0.00 174.62 171.75 1g1k s PRO 112 N 0.20 4.43 -0.24 7.08 0.04 -1.26 -0.80 135.00 144.45 1g1k s PRO 112 Ca 0.01 1.41 -0.01 0.00 0.04 0.00 0.00 61.00 62.45 1g1k s PRO 112 Cb -0.13 -2.70 0.03 0.00 0.04 0.00 0.00 34.50 31.73 1g1k s PRO 112 CO 0.02 0.12 -0.09 0.08 0.04 0.00 0.00 177.00 177.16 1g1k s VAL 113 N -1.63 2.64 0.17 -0.36 1.01 -0.37 -4.45 120.40 117.40 1g1k s VAL 113 Ca 0.53 -1.08 0.07 0.00 0.00 0.00 0.00 61.98 61.50 1g1k s VAL 113 Cb -0.20 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 1g1k s VAL 113 CO 0.26 0.24 -0.14 0.42 0.00 0.00 0.00 175.10 175.88 1g1k s THR 114 N 1.29 1.51 0.01 3.92 -4.23 -0.46 -1.72 115.64 115.97 1g1k s THR 114 Ca -0.00 -2.02 -0.30 0.00 -1.18 0.00 0.00 61.69 58.19 1g1k s THR 114 Cb -0.16 -1.84 -0.04 0.00 1.34 0.00 0.00 72.50 71.80 1g1k s THR 114 CO -0.06 -0.55 1.08 -0.36 -0.54 0.00 0.00 174.62 174.18 1g1k s PHE 115 N -2.73 3.53 0.24 3.99 0.08 -1.26 0.96 117.98 122.79 1g1k s PHE 115 Ca 0.17 1.51 0.01 0.00 0.12 0.00 0.00 56.93 58.74 1g1k s PHE 115 Cb -0.02 -3.26 -0.05 0.00 -0.57 0.00 0.00 43.02 39.13 1g1k s PHE 115 CO 0.04 -0.59 0.09 0.15 -0.10 0.00 0.00 175.22 174.81 1g1k s LYS 116 N 1.18 1.34 5.06 0.44 1.02 -0.22 -4.87 119.74 123.69 1g1k s LYS 116 Ca 0.55 -1.71 0.00 0.00 0.02 0.00 0.00 55.97 54.82 1g1k s LYS 116 Cb -0.24 -0.20 0.00 0.00 -0.52 0.00 0.00 37.83 36.87 1g1k s LYS 116 CO 0.27 -0.28 0.00 -0.25 -0.92 0.00 0.00 175.35 174.17 1g1k n ASP 117 N -0.41 0.00 -4.95 2.83 8.00 -1.26 -3.88 116.55 116.87 1g1k n ASP 117 Ca -0.01 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.31 1g1k n ASP 117 Cb 0.66 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.75 1g1k n ASP 117 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1g1k s GLY 118 N -0.99 2.00 0.23 0.44 0.00 -1.26 -4.99 107.32 102.75 1g1k s GLY 118 Ca 0.00 -1.74 -0.20 0.00 0.00 0.00 0.00 44.72 42.78 1g1k s GLY 118 CO 0.00 -1.57 0.63 -0.32 0.00 0.00 0.00 173.10 171.85 1g1k s GLY 119 N -4.24 -0.16 -0.11 0.20 0.00 -1.26 -4.08 107.32 97.67 1g1k s GLY 119 Ca 0.51 -0.16 -0.13 0.00 0.00 0.00 0.00 44.72 44.94 1g1k s GLY 119 CO 0.31 -0.11 0.36 0.00 0.00 0.00 0.00 173.10 173.65 1g1k s ALA 120 N -3.88 -0.89 -0.05 3.20 0.00 0.36 -4.98 121.76 115.52 1g1k s ALA 120 Ca 0.09 0.89 -0.02 0.00 0.00 0.00 0.00 51.96 52.93 1g1k s ALA 120 Cb -0.03 -0.45 0.03 0.00 0.00 0.00 0.00 23.12 22.67 1g1k s ALA 120 CO 0.01 -0.19 0.08 -0.06 0.00 0.00 0.00 175.76 175.59 1g1k s PHE 121 N -0.14 -0.02 0.04 0.00 0.08 -1.26 -0.83 117.98 115.85 1g1k s PHE 121 Ca -0.03 0.32 0.06 0.00 0.12 0.00 0.00 56.93 57.40 1g1k s PHE 121 Cb -0.03 -0.32 -0.02 0.00 -0.57 0.00 0.00 43.02 42.08 1g1k s PHE 121 CO 0.01 -0.17 -0.17 0.20 -0.10 0.00 0.00 175.22 174.99 1g1k s GLY 122 N 1.75 0.95 0.87 4.36 0.00 0.11 -1.17 107.32 114.19 1g1k s GLY 122 Ca -0.01 -0.94 -0.09 0.00 0.00 0.00 0.00 44.72 43.67 1g1k s GLY 122 CO -0.04 -0.90 1.19 0.51 0.00 0.00 0.00 173.10 173.86 1g1k s ASP 123 N -1.19 3.53 0.57 1.64 1.47 0.09 -0.77 116.67 122.01 1g1k s ASP 123 Ca 0.04 -0.10 0.26 0.00 1.18 0.00 0.00 52.55 53.93 1g1k s ASP 123 Cb -0.08 -0.03 1.61 0.00 -0.34 0.00 0.00 42.92 44.08 1g1k s ASP 123 CO 0.02 -2.43 2.15 1.23 0.68 0.00 0.00 175.17 176.82 1g1k h GLY 124 N -1.20 0.00 -2.37 2.12 0.00 -0.71 0.21 103.07 101.12 1g1k h GLY 124 Ca -0.40 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 1g1k h GLY 124 CO 0.36 0.00 0.04 -1.30 0.00 0.00 0.00 176.54 175.64 1g1k n THR 125 N -4.02 1.48 -2.07 4.70 -2.24 -1.26 -4.89 114.28 105.97 1g1k n THR 125 Ca -0.00 -0.73 -0.21 0.00 -2.27 0.00 0.00 64.05 60.84 1g1k n THR 125 Cb 0.22 -0.44 -0.04 0.00 -2.10 0.00 0.00 70.33 67.97 1g1k n THR 125 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1g1k n MET 126 N 0.23 -1.58 -4.18 -0.78 2.81 0.73 -4.98 117.12 109.37 1g1k n MET 126 Ca 0.16 1.11 -0.30 0.00 -1.81 0.00 0.00 57.70 56.86 1g1k n MET 126 Cb 0.77 -5.66 -0.09 0.00 -0.71 0.00 0.00 33.22 27.54 1g1k n MET 126 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1g1k s SER 127 N -2.35 4.70 0.20 7.83 0.01 -1.26 -4.88 113.70 117.96 1g1k s SER 127 Ca 0.00 -0.29 -0.32 0.00 1.31 0.00 0.00 55.95 56.65 1g1k s SER 127 Cb 0.00 -1.01 -0.12 0.00 0.21 0.00 0.00 66.02 65.10 1g1k s SER 127 CO 0.00 0.17 1.72 -0.75 0.41 0.00 0.00 173.24 174.80 1g1k s LYS 128 N -2.28 4.13 -0.48 12.44 2.20 -1.26 -0.73 119.74 133.74 1g1k s LYS 128 Ca 0.24 2.60 -0.28 0.00 -0.36 0.00 0.00 55.97 58.17 1g1k s LYS 128 Cb -0.11 -3.10 0.01 0.00 -1.51 0.00 0.00 37.83 33.11 1g1k s LYS 128 CO 0.16 -0.75 1.48 0.42 -0.36 0.00 0.00 175.35 176.30 1g1k s ILE 129 N 1.25 3.77 0.06 5.43 1.01 -0.31 -4.81 121.20 127.60 1g1k s ILE 129 Ca 0.75 0.72 -0.11 0.00 0.00 0.00 0.00 60.65 62.01 1g1k s ILE 129 Cb -0.49 -4.23 -0.03 0.00 0.01 0.00 0.00 42.46 37.72 1g1k s ILE 129 CO 0.32 -0.92 0.95 0.00 0.00 0.00 0.00 174.94 175.30 1g1k n ALA 130 N 9.57 -0.23 -2.48 9.38 0.00 -1.26 -4.56 120.51 130.92 1g1k n ALA 130 Ca 0.16 0.31 -0.25 0.00 0.00 0.00 0.00 53.44 53.65 1g1k n ALA 130 Cb 0.49 0.14 -0.15 0.00 0.00 0.00 0.00 19.45 19.93 1g1k n ALA 130 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1g1k s SER 131 N -4.15 2.20 -0.09 0.00 0.15 -1.26 -5.10 113.70 105.44 1g1k s SER 131 Ca -0.04 -0.37 -0.01 0.00 0.70 0.00 0.00 55.95 56.23 1g1k s SER 131 Cb 0.04 -0.23 0.03 0.00 -1.71 0.00 0.00 66.02 64.15 1g1k s SER 131 CO 0.23 0.21 -0.05 -0.69 1.20 0.00 0.00 173.24 174.13 1g1k s VAL 132 N -0.51 0.79 -0.39 4.45 1.01 -1.26 -1.50 120.40 122.98 1g1k s VAL 132 Ca 0.07 -0.15 -0.19 0.00 0.00 0.00 0.00 61.98 61.71 1g1k s VAL 132 Cb -0.07 -0.85 0.01 0.00 0.00 0.00 0.00 36.38 35.47 1g1k s VAL 132 CO -0.00 0.33 0.57 -0.89 0.00 0.00 0.00 175.10 175.10 1g1k s THR 133 N 1.73 4.94 -0.12 3.92 2.01 0.52 -4.95 115.64 123.70 1g1k s THR 133 Ca 0.04 0.19 -0.05 0.00 0.31 0.00 0.00 61.69 62.17 1g1k s THR 133 Cb -0.13 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 1g1k s THR 133 CO -0.06 -0.40 0.07 -0.54 -0.69 0.00 0.00 174.62 173.00 1g1k s LYS 134 N 2.56 3.36 -0.08 4.92 1.02 -1.26 -1.38 119.74 128.88 1g1k s LYS 134 Ca 0.20 -0.27 -0.01 0.00 0.02 0.00 0.00 55.97 55.91 1g1k s LYS 134 Cb -0.15 -3.04 0.03 0.00 -0.52 0.00 0.00 37.83 34.15 1g1k s LYS 134 CO 0.16 0.66 -0.02 0.99 -0.92 0.00 0.00 175.35 176.22 1g1k s THR 135 N -0.73 0.53 0.66 2.17 2.01 -0.57 -5.00 115.64 114.71 1g1k s THR 135 Ca 0.12 0.01 -0.13 0.00 0.31 0.00 0.00 61.69 62.01 1g1k s THR 135 Cb -0.12 -0.64 -0.01 0.00 0.01 0.00 0.00 72.50 71.74 1g1k s THR 135 CO 0.03 0.28 1.06 0.20 -0.69 0.00 0.00 174.62 175.50 1g1k s ASN 136 N 1.82 5.52 0.00 3.53 0.01 -1.26 -0.75 114.94 123.80 1g1k s ASN 136 Ca 0.03 1.70 0.00 0.00 -0.71 0.00 0.00 52.86 53.89 1g1k s ASN 136 Cb -0.12 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 39.02 1g1k s ASN 136 CO -0.05 -1.35 0.00 0.61 -1.51 0.00 0.00 177.10 174.80 1g1k n GLY 137 N -1.56 6.80 3.69 0.66 0.00 -0.70 -4.62 105.19 109.47 1g1k n GLY 137 Ca 0.08 -2.00 -0.00 0.00 0.00 0.00 0.00 46.02 44.09 1g1k n GLY 137 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1g1k s SER 138 N 0.55 -0.10 -0.05 1.61 1.04 -0.88 -1.24 113.70 114.63 1g1k s SER 138 Ca 0.00 -0.26 0.02 0.00 0.48 0.00 0.00 55.95 56.18 1g1k s SER 138 Cb 0.00 0.30 0.02 0.00 0.10 0.00 0.00 66.02 66.44 1g1k s SER 138 CO 0.00 -0.56 -0.08 -0.69 0.98 0.00 0.00 173.24 172.90 1g1k s VAL 139 N -2.73 0.75 -0.13 5.02 1.01 0.02 -1.98 120.40 122.36 1g1k s VAL 139 Ca 0.14 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 61.83 1g1k s VAL 139 Cb 0.02 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 1g1k s VAL 139 CO -0.01 0.27 -0.05 0.28 0.00 0.00 0.00 175.10 175.58 1g1k s THR 140 N 0.73 3.77 -0.26 3.92 -1.32 -0.52 -0.77 115.64 121.19 1g1k s THR 140 Ca -0.12 -0.41 -0.08 0.00 -1.21 0.00 0.00 61.69 59.87 1g1k s THR 140 Cb -0.14 -2.62 -0.03 0.00 -1.51 0.00 0.00 72.50 68.20 1g1k s THR 140 CO 0.01 0.52 0.10 -0.63 -2.21 0.00 0.00 174.62 172.41 1g1k s ILE 141 N 0.12 4.47 -0.37 5.08 1.01 0.10 -1.47 121.20 130.14 1g1k s ILE 141 Ca -0.02 -0.16 -0.06 0.00 0.00 0.00 0.00 60.65 60.41 1g1k s ILE 141 Cb -0.14 -3.12 0.07 0.00 0.01 0.00 0.00 42.46 39.28 1g1k s ILE 141 CO 0.03 0.29 0.16 -0.62 0.00 0.00 0.00 174.94 174.80 1g1k s ASP 142 N 1.63 5.34 0.10 3.58 -1.08 0.48 -0.95 116.67 125.78 1g1k s ASP 142 Ca 0.06 -1.46 -0.35 0.00 -0.52 0.00 0.00 52.55 50.28 1g1k s ASP 142 Cb -0.15 -1.88 -0.18 0.00 -1.46 0.00 0.00 42.92 39.25 1g1k s ASP 142 CO 0.05 -0.43 1.01 -0.81 0.52 0.00 0.00 175.17 175.50 1g1k n PRO 143 N 4.77 0.47 0.00 4.34 -0.04 -1.26 -4.40 135.00 138.87 1g1k n PRO 143 Ca -0.10 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1g1k n PRO 143 Cb 0.43 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 1g1k n PRO 143 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87