#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkt s SER 2 N 0.00 -0.14 0.15 1.61 0.15 -1.26 -5.18 113.70 109.03 2dkt s SER 2 Ca 0.00 -0.57 -0.24 0.00 0.70 0.00 0.00 55.95 55.83 2dkt s SER 2 Cb 0.00 0.50 0.08 0.00 -1.71 0.00 0.00 66.02 64.88 2dkt s SER 2 CO 0.00 -0.94 1.03 -0.94 1.20 0.00 0.00 173.24 173.60 2dkt s SER 3 N -2.88 -0.08 0.00 5.45 1.04 -1.26 -5.18 113.70 110.79 2dkt s SER 3 Ca 0.10 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.03 2dkt s SER 3 Cb 0.01 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.59 2dkt s SER 3 CO -0.05 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 173.91 2dkt n GLY 4 N -0.58 2.25 3.23 7.32 0.00 -1.26 -5.05 105.19 111.11 2dkt n GLY 4 Ca -0.05 -1.93 -0.31 0.00 0.00 0.00 0.00 46.02 43.73 2dkt n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dkt s SER 5 N 0.00 2.98 -0.15 1.61 0.15 -1.26 -5.04 113.70 111.99 2dkt s SER 5 Ca 0.00 -0.52 -0.19 0.00 0.70 0.00 0.00 55.95 55.94 2dkt s SER 5 Cb 0.00 -1.07 -0.17 0.00 -1.71 0.00 0.00 66.02 63.08 2dkt s SER 5 CO 0.00 0.20 0.35 -1.28 1.20 0.00 0.00 173.24 173.71 2dkt h SER 6 N 6.38 0.00 -2.07 5.45 0.87 -2.09 -3.51 113.55 118.58 2dkt h SER 6 Ca -0.26 -0.55 0.00 0.00 -1.23 0.00 0.00 61.79 59.74 2dkt h SER 6 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2dkt h SER 6 CO 0.47 1.04 0.00 0.61 -0.53 0.00 0.00 176.83 178.42 2dkt n GLY 7 N 1.59 0.59 0.00 5.77 0.00 -1.26 -5.08 105.19 106.79 2dkt n GLY 7 Ca -0.15 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.70 2dkt n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dkt n GLY 8 N 0.00 0.65 2.99 -0.02 0.00 -1.26 -5.11 105.19 102.44 2dkt n GLY 8 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2dkt n GLY 8 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dkt s VAL 9 N 2.21 -0.74 -0.12 1.61 1.01 -1.26 -5.13 120.40 117.97 2dkt s VAL 9 Ca 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 2dkt s VAL 9 Cb 0.00 -0.91 0.04 0.00 0.00 0.00 0.00 36.38 35.51 2dkt s VAL 9 CO 0.00 -0.11 0.00 -0.13 0.00 0.00 0.00 175.10 174.86 2dkt s ARG 10 N 2.65 0.78 -0.31 2.72 1.81 -1.26 -5.01 118.95 120.32 2dkt s ARG 10 Ca 0.14 -0.15 0.17 0.00 -1.72 0.00 0.00 55.73 54.17 2dkt s ARG 10 Cb -0.14 -1.49 0.47 0.00 -0.45 0.00 0.00 34.95 33.34 2dkt s ARG 10 CO -0.21 -0.42 1.06 0.27 -0.68 0.00 0.00 175.30 175.32 2dkt n ASN 11 N 5.07 2.37 -3.62 0.23 0.23 -1.26 -5.08 115.26 113.21 2dkt n ASN 11 Ca -0.09 -2.74 -0.01 0.00 -0.53 0.00 0.00 54.58 51.22 2dkt n ASN 11 Cb 0.49 -0.48 -0.01 0.00 -2.08 0.00 0.00 39.78 37.70 2dkt n ASN 11 CO 0.00 0.00 0.00 -1.48 -0.93 0.00 0.00 177.26 174.85 2dkt s LEU 12 N -3.48 -0.10 -0.13 -4.53 2.34 -1.26 -5.17 118.68 106.36 2dkt s LEU 12 Ca 0.33 -0.11 -0.06 0.00 0.06 0.00 0.00 54.13 54.35 2dkt s LEU 12 Cb 0.40 1.46 0.05 0.00 -0.56 0.00 0.00 46.19 47.54 2dkt s LEU 12 CO -0.02 -0.33 0.28 0.00 -1.06 0.00 0.00 176.35 175.22 2dkt s ALA 13 N -2.50 -0.66 0.23 1.48 0.00 -1.26 -5.14 121.76 113.90 2dkt s ALA 13 Ca 0.12 1.09 -0.30 0.00 0.00 0.00 0.00 51.96 52.87 2dkt s ALA 13 Cb 0.02 -0.81 -0.09 0.00 0.00 0.00 0.00 23.12 22.25 2dkt s ALA 13 CO -0.04 -0.35 1.13 -0.65 0.00 0.00 0.00 175.76 175.86 2dkt s GLN 14 N 1.65 4.58 0.00 0.00 -0.21 -1.26 -4.86 119.66 119.55 2dkt s GLN 14 Ca -0.06 1.82 0.00 0.00 0.02 0.00 0.00 55.36 57.13 2dkt s GLN 14 Cb -0.11 -3.22 0.00 0.00 1.00 0.00 0.00 33.01 30.68 2dkt s GLN 14 CO -0.09 0.08 0.00 0.41 -2.12 0.00 0.00 175.29 173.57 2dkt n GLY 15 N 1.67 -1.35 0.25 3.09 0.00 -1.26 -5.09 105.19 102.51 2dkt n GLY 15 Ca 0.01 0.39 -0.11 0.00 0.00 0.00 0.00 46.02 46.32 2dkt n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dkt h PRO 16 N 0.00 -0.55 -4.79 1.61 0.13 -1.95 -3.46 132.00 122.99 2dkt h PRO 16 Ca 0.00 0.04 -0.27 0.00 -0.87 0.00 0.00 66.00 64.90 2dkt h PRO 16 Cb 0.00 0.12 -0.17 0.00 0.13 0.00 0.00 31.00 31.09 2dkt h PRO 16 CO 0.00 -0.27 -0.39 0.54 -0.23 0.00 0.00 178.00 177.65 2dkt n ARG 17 N -5.17 -0.99 -1.45 0.86 3.00 -1.26 -3.31 116.66 108.34 2dkt n ARG 17 Ca -0.09 0.06 0.00 0.00 -0.01 0.00 0.00 57.85 57.81 2dkt n ARG 17 Cb 0.27 -2.27 0.00 0.00 0.00 0.00 0.00 32.46 30.46 2dkt n ARG 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2dkt n GLY 18 N -0.71 -3.96 3.93 -0.13 0.00 0.70 -4.77 105.19 100.25 2dkt n GLY 18 Ca 0.05 -0.36 -0.26 0.00 0.00 0.00 0.00 46.02 45.45 2dkt n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dkt h GLU 20 N 0.79 0.00 0.33 0.00 4.39 -1.96 0.46 114.58 118.60 2dkt h GLU 20 Ca -0.49 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.20 2dkt h GLU 20 Cb 1.21 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2dkt h GLU 20 CO 0.62 0.00 -0.17 0.45 -1.16 0.00 0.00 179.01 178.75 2dkt h HIS 21 N 0.00 -0.44 -2.52 4.33 3.86 -2.02 -3.44 115.15 114.92 2dkt h HIS 21 Ca 0.91 -0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 60.02 2dkt h HIS 21 Cb 3.63 0.15 -0.25 0.00 1.06 0.00 0.00 27.41 31.99 2dkt h HIS 21 CO -0.00 -0.27 -0.24 0.71 0.86 0.00 0.00 177.93 178.99 2dkt s TYR 22 N -6.12 -0.70 -1.08 2.45 1.51 0.16 -5.09 117.35 108.49 2dkt s TYR 22 Ca -0.15 1.45 -0.22 0.00 -1.01 0.00 0.00 57.07 57.14 2dkt s TYR 22 Cb 0.05 0.34 0.01 0.00 -0.11 0.00 0.00 41.96 42.25 2dkt s TYR 22 CO 0.64 -0.38 1.71 -0.51 -1.11 0.00 0.00 175.55 175.90 2dkt s ASP 23 N 1.46 6.03 0.18 2.29 1.01 -1.25 -2.60 116.67 123.78 2dkt s ASP 23 Ca -0.10 -1.53 0.04 0.00 0.71 0.00 0.00 52.55 51.67 2dkt s ASP 23 Cb -0.08 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.23 2dkt s ASP 23 CO -0.14 -1.97 -0.06 0.00 0.21 0.00 0.00 175.17 173.21 2dkt s ARG 24 N 5.52 1.16 -0.23 8.23 1.70 -1.26 -2.86 118.95 131.22 2dkt s ARG 24 Ca 0.57 -1.54 0.11 0.00 -0.47 0.00 0.00 55.73 54.41 2dkt s ARG 24 Cb -0.01 -0.59 0.44 0.00 -0.57 0.00 0.00 34.95 34.22 2dkt s ARG 24 CO -0.00 -0.00 1.29 0.00 -1.08 0.00 0.00 175.30 175.51 2dkt n ALA 25 N -0.28 3.72 -3.31 7.88 0.00 -1.25 -0.21 120.51 127.06 2dkt n ALA 25 Ca -0.08 -3.18 -0.14 0.00 0.00 0.00 0.00 53.44 50.04 2dkt n ALA 25 Cb 0.62 -0.47 -0.09 0.00 0.00 0.00 0.00 19.45 19.50 2dkt n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dkt s LEU 27 N -0.45 4.34 -0.17 0.00 1.02 0.98 -4.86 118.68 119.54 2dkt s LEU 27 Ca -0.06 0.46 -0.14 0.00 0.02 0.00 0.00 54.13 54.41 2dkt s LEU 27 Cb -0.03 -2.89 -0.04 0.00 0.02 0.00 0.00 46.19 43.24 2dkt s LEU 27 CO 0.03 0.19 0.32 -1.48 0.02 0.00 0.00 176.35 175.42 2dkt s LEU 28 N -2.19 4.22 0.40 1.79 0.05 -1.18 -1.00 118.68 120.76 2dkt s LEU 28 Ca 0.33 0.50 -0.26 0.00 0.05 0.00 0.00 54.13 54.74 2dkt s LEU 28 Cb -0.13 -2.40 -0.09 0.00 -2.05 0.00 0.00 46.19 41.52 2dkt s LEU 28 CO 0.22 0.05 1.29 -0.75 -0.55 0.00 0.00 176.35 176.60 2dkt s LYS 29 N 0.71 3.98 -0.43 1.48 2.47 -1.25 -3.58 119.74 123.13 2dkt s LYS 29 Ca 0.17 2.12 -0.11 0.00 -1.56 0.00 0.00 55.97 56.60 2dkt s LYS 29 Cb -0.13 -2.75 0.07 0.00 -1.46 0.00 0.00 37.83 33.56 2dkt s LYS 29 CO 0.05 -0.47 0.29 0.00 0.16 0.00 0.00 175.35 175.38 2dkt s ALA 30 N -1.27 3.36 -2.00 3.13 0.00 0.27 -4.72 121.76 120.52 2dkt s ALA 30 Ca 0.57 -2.11 0.10 0.00 0.00 0.00 0.00 51.96 50.52 2dkt s ALA 30 Cb -0.37 -2.75 0.62 0.00 0.00 0.00 0.00 23.12 20.62 2dkt s ALA 30 CO 0.48 -1.65 1.06 -0.35 0.00 0.00 0.00 175.76 175.29 2dkt n PRO 31 N 4.99 0.49 -0.09 0.00 -0.04 -1.26 0.21 135.00 139.30 2dkt n PRO 31 Ca -0.11 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.15 2dkt n PRO 31 Cb 0.43 -1.33 -0.12 0.00 -0.04 0.00 0.00 33.50 32.44 2dkt n PRO 31 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dkt n ASP 34 N -0.27 -4.87 -4.87 0.00 2.03 0.56 -4.97 116.55 104.17 2dkt n ASP 34 Ca 0.00 -0.22 -0.21 0.00 0.52 0.00 0.00 54.79 54.88 2dkt n ASP 34 Cb 0.36 -4.00 -0.03 0.00 -0.72 0.00 0.00 41.12 36.73 2dkt n ASP 34 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2dkt s LYS 35 N -5.65 2.61 -0.14 -0.67 1.02 -1.16 -4.79 119.74 110.96 2dkt s LYS 35 Ca 0.26 -1.43 -0.00 0.00 0.02 0.00 0.00 55.97 54.82 2dkt s LYS 35 Cb -0.13 -2.42 0.03 0.00 -0.52 0.00 0.00 37.83 34.79 2dkt s LYS 35 CO 0.33 -0.07 -0.07 -0.51 -0.92 0.00 0.00 175.35 174.11 2dkt s LEU 36 N -4.07 1.42 0.05 3.17 1.43 -1.26 0.96 118.68 120.38 2dkt s LEU 36 Ca 0.45 -0.49 0.07 0.00 -1.03 0.00 0.00 54.13 53.13 2dkt s LEU 36 Cb -0.04 -0.89 -0.03 0.00 0.03 0.00 0.00 46.19 45.26 2dkt s LEU 36 CO 0.27 -0.15 -0.20 -0.31 0.23 0.00 0.00 176.35 176.19 2dkt s TYR 37 N 1.66 1.76 0.10 0.29 1.51 -1.23 -4.96 117.35 116.47 2dkt s TYR 37 Ca 0.03 -0.38 -0.15 0.00 -1.01 0.00 0.00 57.07 55.56 2dkt s TYR 37 Cb -0.14 -1.04 0.01 0.00 -0.11 0.00 0.00 41.96 40.68 2dkt s TYR 37 CO -0.08 0.10 0.86 2.41 -1.11 0.00 0.00 175.55 177.73 2dkt n THR 38 N 1.77 -0.36 -4.17 -0.71 -1.04 -1.26 -3.11 114.28 105.39 2dkt n THR 38 Ca -0.17 1.34 -0.10 0.00 -2.04 0.00 0.00 64.05 63.07 2dkt n THR 38 Cb 0.53 -1.68 -0.03 0.00 -1.82 0.00 0.00 70.33 67.33 2dkt n THR 38 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dkt h ARG 40 N 0.00 0.48 0.65 0.00 -0.00 -1.94 -3.25 114.38 110.32 2dkt h ARG 40 Ca -0.12 -0.26 -0.03 0.00 -0.00 0.00 0.00 59.98 59.57 2dkt h ARG 40 Cb 0.55 0.01 0.01 0.00 -0.00 0.00 0.00 29.97 30.53 2dkt h ARG 40 CO 0.19 0.83 -0.31 -0.07 -0.00 0.00 0.00 179.97 180.61 2dkt h LEU 41 N 0.39 -0.74 -0.84 0.08 3.38 -1.96 -3.10 115.31 112.53 2dkt h LEU 41 Ca 0.03 0.03 0.29 0.00 0.09 0.00 0.00 57.88 58.31 2dkt h LEU 41 Cb 0.93 0.19 -0.15 0.00 0.09 0.00 0.00 40.66 41.71 2dkt h LEU 41 CO 0.08 -0.44 0.22 0.00 0.09 0.00 0.00 178.44 178.38 2dkt h HIS 43 N 0.00 -0.97 -0.75 0.00 -0.00 -1.57 0.15 115.15 112.01 2dkt h HIS 43 Ca 0.60 0.03 0.09 0.00 -0.00 0.00 0.00 60.37 61.09 2dkt h HIS 43 Cb 1.43 0.42 -0.05 0.00 -0.00 0.00 0.00 27.41 29.22 2dkt h HIS 43 CO -0.24 -0.36 0.49 0.22 -0.00 0.00 0.00 177.93 178.05 2dkt h ASP 44 N -0.42 0.62 -0.56 3.26 3.58 -0.73 0.11 116.42 122.29 2dkt h ASP 44 Ca 0.01 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.44 2dkt h ASP 44 Cb 0.45 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.35 2dkt h ASP 44 CO -0.22 0.38 0.26 0.74 -2.88 0.00 0.00 179.24 177.52 2dkt h THR 45 N 0.69 1.20 -0.46 2.25 2.02 -0.14 -2.41 112.91 116.06 2dkt h THR 45 Ca 0.34 -0.60 -0.15 0.00 0.77 0.00 0.00 66.41 66.77 2dkt h THR 45 Cb 0.42 0.47 -0.09 0.00 -1.74 0.00 0.00 68.15 67.21 2dkt h THR 45 CO -0.12 0.24 0.09 0.59 0.37 0.00 0.00 175.52 176.69 2dkt n ASN 46 N -4.34 3.61 -3.77 4.18 3.02 0.43 -4.98 115.26 113.41 2dkt n ASN 46 Ca 0.05 -3.37 -0.10 0.00 -0.03 0.00 0.00 54.58 51.13 2dkt n ASN 46 Cb 0.15 -0.65 -0.06 0.00 -0.61 0.00 0.00 39.78 38.61 2dkt n ASN 46 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2dkt s GLU 47 N -3.05 0.91 0.18 3.52 0.41 0.26 -5.00 118.70 115.93 2dkt s GLU 47 Ca 0.47 -0.80 0.24 0.00 -0.41 0.00 0.00 54.97 54.47 2dkt s GLU 47 Cb 0.40 0.38 0.29 0.00 -1.78 0.00 0.00 34.13 33.42 2dkt s GLU 47 CO 0.07 -0.31 1.31 -0.44 -0.49 0.00 0.00 175.26 175.40 2dkt h ASP 48 N 2.71 0.00 -2.29 -0.19 3.32 -1.86 -3.43 116.42 114.67 2dkt h ASP 48 Ca -0.34 -0.12 -0.55 0.00 0.02 0.00 0.00 57.03 56.04 2dkt h ASP 48 Cb 1.22 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.68 2dkt h ASP 48 CO 0.51 0.06 -0.62 -1.38 -1.72 0.00 0.00 179.24 176.10 2dkt s HIS 49 N -3.22 2.82 -0.11 4.55 -3.43 -1.26 -5.12 115.29 109.53 2dkt s HIS 49 Ca 0.05 -0.18 -0.11 0.00 -0.80 0.00 0.00 55.06 54.01 2dkt s HIS 49 Cb 0.11 -1.27 -0.05 0.00 -1.43 0.00 0.00 32.58 29.95 2dkt s HIS 49 CO 0.72 0.58 0.26 -0.65 -2.00 0.00 0.00 174.74 173.66 2dkt s GLN 50 N -3.62 3.90 0.07 -0.38 1.11 -1.26 -4.28 119.66 115.20 2dkt s GLN 50 Ca 0.31 0.08 -0.04 0.00 0.01 0.00 0.00 55.36 55.72 2dkt s GLN 50 Cb -0.07 -3.29 -0.05 0.00 -1.01 0.00 0.00 33.01 28.59 2dkt s GLN 50 CO 0.21 0.54 0.28 -1.17 0.01 0.00 0.00 175.29 175.16 2dkt s LEU 51 N -0.43 4.33 0.37 2.90 0.20 -1.26 -5.04 118.68 119.75 2dkt s LEU 51 Ca 0.17 0.46 -0.18 0.00 0.69 0.00 0.00 54.13 55.28 2dkt s LEU 51 Cb -0.13 -3.00 -0.10 0.00 -0.43 0.00 0.00 46.19 42.53 2dkt s LEU 51 CO 0.06 0.15 0.84 -1.81 -0.29 0.00 0.00 176.35 175.30 2dkt s ASP 52 N -2.25 6.86 0.00 3.68 1.01 -1.26 -4.98 116.67 119.73 2dkt s ASP 52 Ca 0.35 1.48 0.17 0.00 0.71 0.00 0.00 52.55 55.26 2dkt s ASP 52 Cb -0.13 -2.45 -0.11 0.00 1.01 0.00 0.00 42.92 41.23 2dkt s ASP 52 CO 0.23 -0.27 0.80 -2.11 0.21 0.00 0.00 175.17 174.03 2dkt n ARG 53 N -0.47 1.45 -0.11 8.23 1.85 -1.26 -4.44 116.66 121.91 2dkt n ARG 53 Ca 0.05 -0.34 -0.17 0.00 -1.00 0.00 0.00 57.85 56.39 2dkt n ARG 53 Cb 0.53 -1.32 -0.09 0.00 -1.05 0.00 0.00 32.46 30.54 2dkt n ARG 53 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2dkt n PHE 54 N -0.88 0.00 0.02 2.89 3.72 -1.26 -4.44 117.46 117.50 2dkt n PHE 54 Ca 0.05 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.38 2dkt n PHE 54 Cb 0.31 -0.79 -0.05 0.00 -0.94 0.00 0.00 39.48 38.01 2dkt n PHE 54 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2dkt h LYS 55 N -0.24 -0.29 -6.43 -1.08 1.57 -1.94 -3.42 116.57 104.75 2dkt h LYS 55 Ca -0.49 0.02 -0.61 0.00 -1.87 0.00 0.00 60.65 57.70 2dkt h LYS 55 Cb 1.65 0.06 0.12 0.00 0.08 0.00 0.00 32.23 34.14 2dkt h LYS 55 CO -0.15 -0.19 -0.00 1.55 -0.57 0.00 0.00 179.45 180.08 2dkt n VAL 56 N -3.85 2.03 0.00 0.50 3.14 -1.26 -4.90 118.33 113.98 2dkt n VAL 56 Ca -0.03 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.85 2dkt n VAL 56 Cb 0.18 -0.86 0.00 0.00 -1.06 0.00 0.00 33.84 32.10 2dkt n VAL 56 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 2dkt n LYS 57 N 0.65 1.46 -1.81 1.45 3.00 -1.26 -4.95 118.16 116.70 2dkt n LYS 57 Ca 0.11 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.12 2dkt n LYS 57 Cb 0.33 -0.74 0.06 0.00 0.00 0.00 0.00 35.03 34.68 2dkt n LYS 57 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2dkt s GLU 58 N -1.48 2.53 0.02 1.64 2.12 -1.26 -1.82 118.70 120.45 2dkt s GLU 58 Ca 0.00 0.45 -0.22 0.00 0.36 0.00 0.00 54.97 55.56 2dkt s GLU 58 Cb 0.00 -1.99 0.05 0.00 0.26 0.00 0.00 34.13 32.45 2dkt s GLU 58 CO 0.00 -1.26 0.49 0.14 -0.54 0.00 0.00 175.26 174.09 2dkt s VAL 59 N -3.35 0.03 0.05 3.70 -7.23 -0.94 -3.79 120.40 108.88 2dkt s VAL 59 Ca 0.59 -0.28 0.09 0.00 -1.81 0.00 0.00 61.98 60.57 2dkt s VAL 59 Cb -0.12 -0.93 -0.03 0.00 0.56 0.00 0.00 36.38 35.87 2dkt s VAL 59 CO 0.52 -0.16 -0.25 -1.58 -0.31 0.00 0.00 175.10 173.32 2dkt s GLN 60 N -2.11 1.64 0.42 4.82 0.74 -0.18 -2.63 119.66 122.36 2dkt s GLN 60 Ca -0.07 -1.09 -0.20 0.00 0.05 0.00 0.00 55.36 54.05 2dkt s GLN 60 Cb -0.01 -1.83 -0.10 0.00 1.10 0.00 0.00 33.01 32.16 2dkt s GLN 60 CO 0.01 0.47 0.93 0.00 -0.55 0.00 0.00 175.29 176.14 2dkt n ILE 62 N -0.69 0.00 -0.10 0.00 -6.64 0.13 -2.98 119.36 109.08 2dkt n ILE 62 Ca 0.07 -0.15 -0.19 0.00 -1.77 0.00 0.00 62.75 60.70 2dkt n ILE 62 Cb 0.54 1.04 -0.11 0.00 -1.44 0.00 0.00 39.64 39.67 2dkt n ILE 62 CO 0.00 0.00 0.00 0.78 -1.77 0.00 0.00 176.55 175.56 2dkt h ASN 63 N 0.36 0.00 -0.10 7.28 2.35 -1.94 -3.40 115.58 120.13 2dkt h ASN 63 Ca 0.00 -0.50 -0.01 0.00 -0.55 0.00 0.00 56.30 55.24 2dkt h ASN 63 Cb 0.43 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.79 2dkt h ASN 63 CO 0.00 1.37 -0.03 0.00 -1.65 0.00 0.00 177.43 177.13 2dkt n GLU 65 N -1.12 -0.92 -3.87 0.00 1.02 -1.16 -4.86 120.64 109.73 2dkt n GLU 65 Ca 0.18 0.07 -0.34 0.00 -0.02 0.00 0.00 57.16 57.05 2dkt n GLU 65 Cb 0.74 -2.49 -0.05 0.00 -0.02 0.00 0.00 31.44 29.62 2dkt n GLU 65 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2dkt s LYS 66 N -5.51 3.47 0.46 3.49 2.47 -1.25 -4.84 119.74 118.02 2dkt s LYS 66 Ca 0.17 -0.26 -0.18 0.00 -1.56 0.00 0.00 55.97 54.14 2dkt s LYS 66 Cb -0.10 -3.10 -0.09 0.00 -1.46 0.00 0.00 37.83 33.09 2dkt s LYS 66 CO 0.64 0.67 0.94 -1.17 0.16 0.00 0.00 175.35 176.59 2dkt s LEU 67 N -1.85 3.80 0.00 5.43 2.96 -1.26 -1.69 118.68 126.06 2dkt s LEU 67 Ca 0.27 1.56 -0.28 0.00 -0.22 0.00 0.00 54.13 55.46 2dkt s LEU 67 Cb -0.13 -4.45 0.10 0.00 0.50 0.00 0.00 46.19 42.21 2dkt s LEU 67 CO 0.17 -0.45 1.26 0.00 -1.32 0.00 0.00 176.35 176.01 2dkt s GLN 68 N -3.62 0.47 0.55 1.98 -2.07 -1.08 -4.93 119.66 110.96 2dkt s GLN 68 Ca 0.59 -0.30 0.06 0.00 -1.82 0.00 0.00 55.36 53.89 2dkt s GLN 68 Cb -0.10 0.14 0.04 0.00 -1.09 0.00 0.00 33.01 32.00 2dkt s GLN 68 CO 0.23 -0.22 0.42 -1.01 -1.32 0.00 0.00 175.29 173.39 2dkt s HIS 69 N -2.12 1.59 -0.34 9.60 3.76 -1.26 -2.22 115.29 124.30 2dkt s HIS 69 Ca 0.26 -0.85 -0.40 0.00 -0.15 0.00 0.00 55.06 53.91 2dkt s HIS 69 Cb 0.00 -1.92 -0.16 0.00 1.11 0.00 0.00 32.58 31.62 2dkt s HIS 69 CO -0.01 -0.52 1.86 0.00 -0.85 0.00 0.00 174.74 175.22 2dkt n ALA 70 N -1.79 -0.04 -3.60 -1.40 0.00 -0.76 -4.52 120.51 108.40 2dkt n ALA 70 Ca -0.01 0.30 -0.01 0.00 0.00 0.00 0.00 53.44 53.72 2dkt n ALA 70 Cb 0.64 -2.23 0.02 0.00 0.00 0.00 0.00 19.45 17.88 2dkt n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dkt n GLN 71 N 5.99 0.86 -0.07 0.00 10.64 -1.26 -5.07 117.38 128.47 2dkt n GLN 71 Ca 0.33 -1.70 -0.07 0.00 -1.83 0.00 0.00 57.00 53.73 2dkt n GLN 71 Cb 0.11 2.11 -0.09 0.00 -0.86 0.00 0.00 30.24 31.50 2dkt n GLN 71 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 2dkt n GLN 72 N -0.41 1.61 -4.25 2.61 7.27 -1.26 -4.95 117.38 118.00 2dkt n GLN 72 Ca -0.07 0.02 -0.22 0.00 0.07 0.00 0.00 57.00 56.80 2dkt n GLN 72 Cb 0.45 -1.32 -0.12 0.00 2.41 0.00 0.00 30.24 31.66 2dkt n GLN 72 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2dkt s THR 73 N -2.31 1.53 0.44 1.69 2.01 -1.26 -0.07 115.64 117.66 2dkt s THR 73 Ca -0.10 -1.51 -0.24 0.00 0.31 0.00 0.00 61.69 60.15 2dkt s THR 73 Cb 0.04 -1.44 -0.08 0.00 0.01 0.00 0.00 72.50 71.04 2dkt s THR 73 CO 0.48 -0.14 1.24 0.00 -0.69 0.00 0.00 174.62 175.51 2dkt n GLU 75 N -0.19 4.04 0.00 0.00 0.28 -1.26 -2.22 120.64 121.29 2dkt n GLU 75 Ca 0.06 -2.49 0.00 0.00 -0.16 0.00 0.00 57.16 54.57 2dkt n GLU 75 Cb 0.46 -2.11 0.00 0.00 1.43 0.00 0.00 31.44 31.22 2dkt n GLU 75 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2dkt n ASP 76 N 0.46 0.71 -0.00 -1.84 -0.08 -1.26 -4.89 116.55 109.64 2dkt n ASP 76 Ca 0.23 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.54 2dkt n ASP 76 Cb 1.01 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 44.42 2dkt n ASP 76 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2dkt n SER 78 N -1.58 -2.68 -4.51 0.00 2.88 -0.94 -4.96 113.62 101.82 2dkt n SER 78 Ca -0.01 -0.40 -0.42 0.00 -1.33 0.00 0.00 58.87 56.72 2dkt n SER 78 Cb 0.17 -3.55 -0.10 0.00 -0.75 0.00 0.00 64.21 59.98 2dkt n SER 78 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2dkt s THR 79 N -3.23 5.19 -0.30 2.46 2.01 -1.26 -4.70 115.64 115.81 2dkt s THR 79 Ca 0.09 -0.22 -0.37 0.00 0.31 0.00 0.00 61.69 61.50 2dkt s THR 79 Cb -0.04 -3.87 -0.13 0.00 0.01 0.00 0.00 72.50 68.47 2dkt s THR 79 CO 0.48 -0.19 2.01 -0.11 -0.69 0.00 0.00 174.62 176.13 2dkt n LEU 80 N 5.34 2.31 -0.09 4.42 7.94 -1.26 -3.21 117.00 132.44 2dkt n LEU 80 Ca -0.10 0.70 0.10 0.00 -1.11 0.00 0.00 56.01 55.60 2dkt n LEU 80 Cb 0.49 -1.22 0.57 0.00 0.53 0.00 0.00 43.42 43.79 2dkt n LEU 80 CO 0.41 -0.55 0.87 0.49 -1.11 0.00 0.00 177.39 177.50 2dkt n PHE 81 N 7.98 0.03 0.00 1.96 3.72 0.89 -4.59 117.46 127.46 2dkt n PHE 81 Ca 0.35 -0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.74 2dkt n PHE 81 Cb 0.19 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 2dkt n PHE 81 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dkt n GLY 82 N 0.88 3.21 0.33 1.37 0.00 -1.26 -3.76 105.19 105.95 2dkt n GLY 82 Ca 0.16 -0.24 0.23 0.00 0.00 0.00 0.00 46.02 46.17 2dkt n GLY 82 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2dkt h GLU 83 N 0.00 0.06 -5.49 1.61 4.39 -1.83 -3.37 114.58 109.96 2dkt h GLU 83 Ca 0.00 -0.00 -0.61 0.00 0.34 0.00 0.00 59.36 59.08 2dkt h GLU 83 Cb 0.00 -0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 28.54 2dkt h GLU 83 CO 0.00 0.04 -0.41 0.71 -1.16 0.00 0.00 179.01 178.19 2dkt s TYR 84 N -5.74 3.49 -0.19 4.33 2.02 -0.10 -4.97 117.35 116.19 2dkt s TYR 84 Ca -0.11 0.52 -0.01 0.00 -0.37 0.00 0.00 57.07 57.10 2dkt s TYR 84 Cb 0.31 -2.18 0.05 0.00 -0.40 0.00 0.00 41.96 39.74 2dkt s TYR 84 CO 0.78 0.40 -0.01 1.52 -1.57 0.00 0.00 175.55 176.67 2dkt s TYR 85 N -0.02 1.49 -0.19 2.71 1.13 -1.26 -1.61 117.35 119.60 2dkt s TYR 85 Ca 0.14 -1.09 -0.19 0.00 -1.41 0.00 0.00 57.07 54.53 2dkt s TYR 85 Cb -0.12 -1.21 -0.03 0.00 -1.10 0.00 0.00 41.96 39.49 2dkt s TYR 85 CO 0.03 -0.63 0.52 0.00 -2.51 0.00 0.00 175.55 172.95 2dkt h SER 87 N 7.35 0.39 0.26 0.00 4.64 -1.94 0.17 113.55 124.42 2dkt h SER 87 Ca -0.35 -0.47 -0.01 0.00 -0.47 0.00 0.00 61.79 60.49 2dkt h SER 87 Cb 1.16 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2dkt h SER 87 CO 0.74 1.38 -0.13 0.40 -0.87 0.00 0.00 176.83 178.36 2dkt h ILE 88 N 0.07 0.79 0.00 0.95 2.04 -1.96 -3.20 117.51 116.20 2dkt h ILE 88 Ca -0.19 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.15 2dkt h ILE 88 Cb 1.99 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 39.15 2dkt h ILE 88 CO 0.18 0.11 -0.56 0.00 0.00 0.00 0.00 178.15 177.88 2dkt n HIS 90 N -2.23 -0.73 -4.05 0.00 8.25 0.56 -4.39 115.22 112.62 2dkt n HIS 90 Ca 0.03 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.20 2dkt n HIS 90 Cb 0.45 -3.38 -0.06 0.00 1.12 0.00 0.00 29.99 28.12 2dkt n HIS 90 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2dkt s LEU 91 N -4.80 3.83 -0.19 2.41 0.20 -1.01 -4.90 118.68 114.22 2dkt s LEU 91 Ca 0.00 -0.04 -0.00 0.00 0.69 0.00 0.00 54.13 54.78 2dkt s LEU 91 Cb 0.00 -2.48 0.05 0.00 -0.43 0.00 0.00 46.19 43.33 2dkt s LEU 91 CO 0.00 0.13 -0.04 -0.36 -0.29 0.00 0.00 176.35 175.79 2dkt s PHE 92 N -1.53 1.83 0.08 5.38 0.08 -1.26 -0.26 117.98 122.30 2dkt s PHE 92 Ca 0.30 -1.27 0.08 0.00 0.12 0.00 0.00 56.93 56.17 2dkt s PHE 92 Cb -0.11 -1.36 -0.03 0.00 -0.57 0.00 0.00 43.02 40.94 2dkt s PHE 92 CO 0.23 -0.67 -0.22 0.16 -0.10 0.00 0.00 175.22 174.62 2dkt s ASP 93 N 1.59 2.64 1.27 1.36 1.47 -0.64 -4.28 116.67 120.08 2dkt s ASP 93 Ca -0.02 -0.62 -0.13 0.00 1.18 0.00 0.00 52.55 52.96 2dkt s ASP 93 Cb -0.17 -0.19 0.21 0.00 -0.34 0.00 0.00 42.92 42.44 2dkt s ASP 93 CO -0.07 0.13 0.48 0.29 0.68 0.00 0.00 175.17 176.67 2dkt n LYS 94 N 1.43 -3.58 -2.95 2.11 5.02 -1.13 -0.92 118.16 118.13 2dkt n LYS 94 Ca -0.18 -0.80 -0.44 0.00 -2.02 0.00 0.00 58.31 54.87 2dkt n LYS 94 Cb 0.53 -1.04 -0.03 0.00 -0.02 0.00 0.00 35.03 34.48 2dkt n LYS 94 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2dkt s ASP 95 N -2.61 6.60 -0.24 4.39 1.01 -1.26 -4.36 116.67 120.21 2dkt s ASP 95 Ca 0.37 -2.01 0.13 0.00 0.71 0.00 0.00 52.55 51.75 2dkt s ASP 95 Cb -0.06 -2.39 0.46 0.00 1.01 0.00 0.00 42.92 41.94 2dkt s ASP 95 CO 0.31 -1.06 1.18 2.29 0.21 0.00 0.00 175.17 178.10 2dkt n LYS 96 N 6.46 2.41 -3.46 8.23 0.00 -1.26 -4.97 118.16 125.57 2dkt n LYS 96 Ca 0.21 -3.62 -0.19 0.00 -0.00 0.00 0.00 58.31 54.71 2dkt n LYS 96 Cb 0.49 -1.76 0.06 0.00 -0.00 0.00 0.00 35.03 33.81 2dkt n LYS 96 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2dkt n ARG 97 N -0.66 -3.91 -4.07 -1.58 0.00 -1.26 -4.69 116.66 100.50 2dkt n ARG 97 Ca 0.27 0.75 -0.31 0.00 -0.00 0.00 0.00 57.85 58.56 2dkt n ARG 97 Cb 0.89 -5.46 -0.07 0.00 0.00 0.00 0.00 32.46 27.83 2dkt n ARG 97 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 2dkt s GLN 98 N -5.24 2.84 0.08 -0.14 0.74 -1.26 -1.64 119.66 115.05 2dkt s GLN 98 Ca 0.23 -0.70 0.04 0.00 0.05 0.00 0.00 55.36 54.98 2dkt s GLN 98 Cb -0.05 -2.71 -0.03 0.00 1.10 0.00 0.00 33.01 31.33 2dkt s GLN 98 CO 0.77 0.57 -0.11 1.52 -0.55 0.00 0.00 175.29 177.49 2dkt s TYR 99 N -1.36 1.06 -0.19 1.67 -0.85 0.09 -4.86 117.35 112.91 2dkt s TYR 99 Ca 0.28 -0.57 -0.06 0.00 -0.52 0.00 0.00 57.07 56.20 2dkt s TYR 99 Cb -0.12 -0.59 -0.03 0.00 0.38 0.00 0.00 41.96 41.60 2dkt s TYR 99 CO 0.21 0.01 0.03 -1.58 -1.52 0.00 0.00 175.55 172.70 2dkt s HIS 100 N -1.95 3.14 0.01 -3.49 5.65 -1.26 0.13 115.29 117.51 2dkt s HIS 100 Ca 0.01 -0.16 -0.21 0.00 0.25 0.00 0.00 55.06 54.95 2dkt s HIS 100 Cb -0.06 -2.06 -0.05 0.00 -1.18 0.00 0.00 32.58 29.22 2dkt s HIS 100 CO 0.01 -0.01 0.63 0.00 -0.65 0.00 0.00 174.74 174.72 2dkt h GLU 102 N 5.57 0.38 -0.69 0.00 5.08 -1.95 0.19 114.58 123.17 2dkt h GLU 102 Ca -0.45 -0.66 0.04 0.00 -1.00 0.00 0.00 59.36 57.29 2dkt h GLU 102 Cb 1.20 0.24 -0.04 0.00 0.50 0.00 0.00 28.75 30.66 2dkt h GLU 102 CO 0.69 1.31 0.45 0.77 -1.00 0.00 0.00 179.01 181.24 2dkt h SER 103 N -0.08 0.70 0.23 1.42 0.02 -1.97 -2.61 113.55 111.26 2dkt h SER 103 Ca -0.27 -0.01 -0.18 0.00 -0.84 0.00 0.00 61.79 60.49 2dkt h SER 103 Cb 1.95 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 64.29 2dkt h SER 103 CO 0.17 0.48 -1.94 0.00 -1.14 0.00 0.00 176.83 174.40 2dkt n GLY 105 N 1.48 0.36 3.12 0.00 0.00 0.65 -5.02 105.19 105.79 2dkt n GLY 105 Ca -0.16 -0.48 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 2dkt n GLY 105 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2dkt s ILE 106 N -2.48 0.59 0.38 -0.61 -4.36 -1.06 -4.71 121.20 108.96 2dkt s ILE 106 Ca 0.00 -1.61 -0.24 0.00 -0.26 0.00 0.00 60.65 58.55 2dkt s ILE 106 Cb 0.00 -1.27 -0.10 0.00 1.25 0.00 0.00 42.46 42.34 2dkt s ILE 106 CO 0.00 -0.70 0.97 0.00 0.24 0.00 0.00 174.94 175.45 2dkt s ARG 108 N -2.56 0.44 0.39 0.00 0.52 0.12 -4.90 118.95 112.95 2dkt s ARG 108 Ca 0.56 0.63 -0.26 0.00 -0.52 0.00 0.00 55.73 56.14 2dkt s ARG 108 Cb -0.16 0.14 -0.09 0.00 0.52 0.00 0.00 34.95 35.36 2dkt s ARG 108 CO 0.21 -0.09 1.24 0.42 0.02 0.00 0.00 175.30 177.09 2dkt s ILE 109 N 0.61 2.89 0.00 1.52 -1.09 -1.26 -0.74 121.20 123.14 2dkt s ILE 109 Ca -0.03 0.79 0.00 0.00 -2.23 0.00 0.00 60.65 59.18 2dkt s ILE 109 Cb -0.05 -3.46 0.00 0.00 -1.58 0.00 0.00 42.46 37.37 2dkt s ILE 109 CO -0.04 0.11 0.00 0.61 -1.23 0.00 0.00 174.94 174.39 2dkt n GLY 110 N 0.70 1.78 3.71 6.18 0.00 -0.65 -4.76 105.19 112.14 2dkt n GLY 110 Ca 0.03 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 2dkt n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dkt s PRO 111 N 4.03 4.31 0.39 1.61 0.04 -1.26 -5.00 135.00 139.12 2dkt s PRO 111 Ca 0.00 2.03 0.24 0.00 0.04 0.00 0.00 61.00 63.31 2dkt s PRO 111 Cb 0.00 -3.36 1.35 0.00 0.04 0.00 0.00 34.50 32.53 2dkt s PRO 111 CO 0.00 -0.47 1.60 -0.22 0.04 0.00 0.00 177.00 177.94 2dkt h LYS 112 N 7.16 0.06 -0.82 4.56 1.63 -1.86 0.69 116.57 127.99 2dkt h LYS 112 Ca -0.41 -0.00 0.18 0.00 -0.85 0.00 0.00 60.65 59.57 2dkt h LYS 112 Cb 1.20 -0.01 -0.11 0.00 -0.60 0.00 0.00 32.23 32.70 2dkt h LYS 112 CO 0.87 0.04 0.30 0.93 -3.45 0.00 0.00 179.45 178.14 2dkt h GLU 113 N 0.06 0.36 -0.92 1.90 5.08 -1.99 0.71 114.58 119.77 2dkt h GLU 113 Ca 0.83 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 59.09 2dkt h GLU 113 Cb 2.34 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 31.45 2dkt h GLU 113 CO -0.63 0.24 0.11 -0.40 -1.00 0.00 0.00 179.01 177.33 2dkt n ASP 114 N -5.08 2.95 -4.04 1.42 5.75 0.24 -4.85 116.55 112.94 2dkt n ASP 114 Ca 0.18 -2.44 -0.10 0.00 -0.01 0.00 0.00 54.79 52.42 2dkt n ASP 114 Cb 0.54 -0.59 -0.06 0.00 -1.03 0.00 0.00 41.12 39.98 2dkt n ASP 114 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 2dkt s PHE 115 N -1.39 0.52 0.38 2.11 0.40 0.25 -3.12 117.98 117.13 2dkt s PHE 115 Ca 0.19 -0.86 -0.16 0.00 -0.60 0.00 0.00 56.93 55.51 2dkt s PHE 115 Cb 0.16 0.03 0.05 0.00 0.51 0.00 0.00 43.02 43.77 2dkt s PHE 115 CO 0.05 -0.91 0.78 -0.59 0.70 0.00 0.00 175.22 175.25 2dkt s PHE 116 N -4.04 0.12 -0.10 0.36 -0.12 0.02 -4.71 117.98 109.51 2dkt s PHE 116 Ca 0.26 -0.78 -0.02 0.00 -0.05 0.00 0.00 56.93 56.34 2dkt s PHE 116 Cb 0.01 0.82 0.03 0.00 -0.63 0.00 0.00 43.02 43.25 2dkt s PHE 116 CO 0.09 -1.55 0.00 -1.58 -0.05 0.00 0.00 175.22 172.13 2dkt s HIS 117 N -2.40 0.82 0.08 3.49 5.65 -1.26 -0.50 115.29 121.17 2dkt s HIS 117 Ca 0.15 -0.36 -0.23 0.00 0.25 0.00 0.00 55.06 54.87 2dkt s HIS 117 Cb -0.05 -0.89 -0.06 0.00 -1.18 0.00 0.00 32.58 30.40 2dkt s HIS 117 CO 0.11 -0.41 0.69 0.00 -0.65 0.00 0.00 174.74 174.49 2dkt h LEU 119 N 5.04 -0.01 -0.92 0.00 3.38 -1.97 -0.31 115.31 120.52 2dkt h LEU 119 Ca -0.46 0.00 0.26 0.00 0.09 0.00 0.00 57.88 57.76 2dkt h LEU 119 Cb 1.21 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.79 2dkt h LEU 119 CO 0.68 -0.00 0.03 1.17 0.09 0.00 0.00 178.44 180.41 2dkt n LYS 120 N -2.06 -0.07 -0.11 1.13 4.81 -1.26 0.14 118.16 120.75 2dkt n LYS 120 Ca -0.00 1.37 -0.14 0.00 -0.87 0.00 0.00 58.31 58.68 2dkt n LYS 120 Cb 0.00 -2.19 -0.03 0.00 0.02 0.00 0.00 35.03 32.83 2dkt n LYS 120 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2dkt n ASN 122 N -4.10 -3.10 -3.11 0.00 2.85 0.38 -5.04 115.26 103.14 2dkt n ASN 122 Ca -0.03 -0.17 -0.09 0.00 -0.11 0.00 0.00 54.58 54.18 2dkt n ASN 122 Cb 0.55 -1.87 0.01 0.00 1.24 0.00 0.00 39.78 39.70 2dkt n ASN 122 CO 0.00 0.00 0.00 -1.48 -2.11 0.00 0.00 177.26 173.67 2dkt s LEU 123 N -2.98 0.05 -0.13 1.20 0.05 -1.13 -4.92 118.68 110.83 2dkt s LEU 123 Ca 0.15 -1.09 -0.12 0.00 0.05 0.00 0.00 54.13 53.12 2dkt s LEU 123 Cb -0.06 2.70 -0.05 0.00 -2.05 0.00 0.00 46.19 46.73 2dkt s LEU 123 CO 0.22 -1.60 0.26 0.00 -0.55 0.00 0.00 176.35 174.68 2dkt s LEU 125 N -0.14 2.14 0.38 0.00 1.43 0.35 -4.96 118.68 117.87 2dkt s LEU 125 Ca 0.16 -0.33 -0.25 0.00 -1.03 0.00 0.00 54.13 52.68 2dkt s LEU 125 Cb -0.13 -0.24 -0.09 0.00 0.03 0.00 0.00 46.19 45.77 2dkt s LEU 125 CO 0.05 -0.07 1.12 0.28 0.23 0.00 0.00 176.35 177.96 2dkt s THR 126 N -0.76 3.39 0.32 5.49 -1.32 -1.26 -0.80 115.64 120.70 2dkt s THR 126 Ca -0.04 1.17 0.09 0.00 -1.21 0.00 0.00 61.69 61.70 2dkt s THR 126 Cb -0.06 -3.65 0.31 0.00 -1.51 0.00 0.00 72.50 67.59 2dkt s THR 126 CO 0.00 0.11 1.72 0.71 -2.21 0.00 0.00 174.62 174.95 2dkt h THR 127 N 2.40 0.52 -1.25 5.08 1.35 -1.83 0.29 112.91 119.48 2dkt h THR 127 Ca -0.48 -0.19 0.36 0.00 -0.55 0.00 0.00 66.41 65.55 2dkt h THR 127 Cb 1.22 -0.09 -0.05 0.00 -1.73 0.00 0.00 68.15 67.51 2dkt h THR 127 CO 0.63 0.10 0.98 -1.13 -0.25 0.00 0.00 175.52 175.85 2dkt h ASN 128 N 0.55 0.00 -1.29 5.36 -1.24 -1.91 0.54 115.58 117.60 2dkt h ASN 128 Ca 0.65 0.00 -0.69 0.00 0.71 0.00 0.00 56.30 56.97 2dkt h ASN 128 Cb 1.24 0.00 -0.31 0.00 0.73 0.00 0.00 38.32 39.98 2dkt h ASN 128 CO -0.49 0.00 0.66 0.18 -1.29 0.00 0.00 177.43 176.49 2dkt n LEU 129 N -3.95 7.19 -4.56 0.34 4.77 0.10 -4.87 117.00 116.03 2dkt n LEU 129 Ca 0.27 -4.55 -0.43 0.00 -0.03 0.00 0.00 56.01 51.28 2dkt n LEU 129 Cb 1.38 -0.91 -0.01 0.00 -2.33 0.00 0.00 43.42 41.56 2dkt n LEU 129 CO 0.38 1.67 1.74 -0.13 -1.33 0.00 0.00 177.39 179.71 2dkt s ARG 130 N -3.86 3.88 0.00 3.23 0.52 0.19 -4.03 118.95 118.88 2dkt s ARG 130 Ca 0.59 -1.82 0.00 0.00 -0.52 0.00 0.00 55.73 53.98 2dkt s ARG 130 Cb 0.47 -5.41 0.00 0.00 0.52 0.00 0.00 34.95 30.53 2dkt s ARG 130 CO -0.13 -2.17 0.00 0.41 0.02 0.00 0.00 175.30 173.43 2dkt n GLY 131 N 5.67 3.32 0.29 -3.53 0.00 -1.26 -4.92 105.19 104.76 2dkt n GLY 131 Ca 0.42 -0.99 0.08 0.00 0.00 0.00 0.00 46.02 45.53 2dkt n GLY 131 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2dkt h LYS 132 N 0.00 0.13 -7.02 1.61 3.64 -1.90 -3.40 116.57 109.63 2dkt h LYS 132 Ca 0.00 -0.01 -0.54 0.00 -1.27 0.00 0.00 60.65 58.83 2dkt h LYS 132 Cb 0.00 -0.03 0.12 0.00 -0.41 0.00 0.00 32.23 31.91 2dkt h LYS 132 CO 0.00 0.09 0.61 -3.38 -2.27 0.00 0.00 179.45 174.50 2dkt s HIS 133 N -6.05 2.44 -0.23 1.91 -3.43 -1.26 -5.01 115.29 103.66 2dkt s HIS 133 Ca -0.13 1.38 0.00 0.00 -0.80 0.00 0.00 55.06 55.52 2dkt s HIS 133 Cb 0.24 -3.75 0.03 0.00 -1.43 0.00 0.00 32.58 27.67 2dkt s HIS 133 CO 0.76 -2.64 -0.11 -1.59 -2.00 0.00 0.00 174.74 169.16 2dkt s LYS 134 N -2.74 2.69 0.10 -0.38 -2.85 -1.26 -5.02 119.74 110.28 2dkt s LYS 134 Ca 0.67 -1.06 -0.29 0.00 -1.00 0.00 0.00 55.97 54.29 2dkt s LYS 134 Cb -0.39 -2.85 -0.12 0.00 -2.06 0.00 0.00 37.83 32.41 2dkt s LYS 134 CO 0.47 -0.40 1.63 0.00 0.10 0.00 0.00 175.35 177.15 2dkt s ILE 136 N -6.04 5.12 0.40 0.00 -1.09 -1.26 -4.89 121.20 113.44 2dkt s ILE 136 Ca -0.16 -0.39 0.04 0.00 -2.23 0.00 0.00 60.65 57.90 2dkt s ILE 136 Cb 0.06 -3.82 -0.04 0.00 -1.58 0.00 0.00 42.46 37.08 2dkt s ILE 136 CO 0.64 -0.44 0.07 -1.61 -1.23 0.00 0.00 174.94 172.37 2dkt s GLU 137 N -4.00 1.89 0.18 2.79 2.02 -1.26 -5.13 118.70 115.19 2dkt s GLU 137 Ca 0.40 -2.13 -0.30 0.00 0.02 0.00 0.00 54.97 52.96 2dkt s GLU 137 Cb -0.10 -0.96 -0.07 0.00 0.10 0.00 0.00 34.13 33.09 2dkt s GLU 137 CO 0.33 -0.32 0.99 0.45 0.02 0.00 0.00 175.26 176.73 2dkt s SER 138 N -3.63 7.50 0.00 -0.19 0.15 -1.26 -4.88 113.70 111.39 2dkt s SER 138 Ca 0.25 1.93 0.00 0.00 0.70 0.00 0.00 55.95 58.83 2dkt s SER 138 Cb 0.05 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2dkt s SER 138 CO 0.13 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.16 2dkt n GLY 139 N 1.88 0.69 0.45 9.45 0.00 -1.26 -5.10 105.19 111.30 2dkt n GLY 139 Ca 0.01 -1.87 -0.04 0.00 0.00 0.00 0.00 46.02 44.11 2dkt n GLY 139 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dkt n PRO 140 N 0.00 -1.30 -0.16 1.61 -0.04 -1.26 -4.95 135.00 128.90 2dkt n PRO 140 Ca 0.00 -0.22 -0.11 0.00 -0.04 0.00 0.00 63.50 63.12 2dkt n PRO 140 Cb 0.00 -0.21 -0.00 0.00 -0.04 0.00 0.00 33.50 33.25 2dkt n PRO 140 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2dkt h SER 141 N -1.24 0.96 -6.82 3.54 0.02 -1.99 -3.46 113.55 104.56 2dkt h SER 141 Ca -0.05 -0.38 -0.56 0.00 -0.84 0.00 0.00 61.79 59.95 2dkt h SER 141 Cb 0.16 -0.26 -0.30 0.00 0.14 0.00 0.00 62.40 62.14 2dkt h SER 141 CO 0.03 1.12 -0.84 -1.54 -1.14 0.00 0.00 176.83 174.47 2dkt n SER 142 N -4.18 -0.85 0.00 3.07 3.41 -1.26 -5.07 113.62 108.74 2dkt n SER 142 Ca -0.00 -1.13 0.00 0.00 -0.26 0.00 0.00 58.87 57.48 2dkt n SER 142 Cb 0.42 -1.44 0.00 0.00 -0.26 0.00 0.00 64.21 62.93 2dkt n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49