#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 -0.80 -0.23 1.61 0.15 -1.26 -5.15 113.70 108.02 2dkt s SER 2 Ca 0.00 1.32 -0.12 0.00 0.70 0.00 0.00 55.95 57.85 2dkt s SER 2 Cb 0.00 1.20 -0.05 0.00 -1.71 0.00 0.00 66.02 65.46 2dkt s SER 2 CO 0.00 -0.22 0.21 -0.55 1.20 0.00 0.00 173.24 173.87 2dkt s SER 3 N 1.50 6.18 0.09 5.45 0.15 -1.26 -5.09 113.70 120.73 2dkt s SER 3 Ca -0.09 0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.75 2dkt s SER 3 Cb -0.06 -2.13 0.00 0.00 -1.71 0.00 0.00 66.02 62.12 2dkt s SER 3 CO -0.17 0.04 0.00 0.61 1.20 0.00 0.00 173.24 174.92 2dkt n GLY 4 N 4.19 1.45 2.93 9.45 0.00 -1.26 -5.14 105.19 116.82 2dkt n GLY 4 Ca -0.14 -2.02 -0.10 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.00 0.14 0.26 1.61 0.15 -1.26 -5.15 113.70 108.45 2dkt s SER 5 Ca 0.00 -0.29 -0.29 0.00 0.70 0.00 0.00 55.95 56.07 2dkt s SER 5 Cb 0.00 0.06 -0.09 0.00 -1.71 0.00 0.00 66.02 64.28 2dkt s SER 5 CO 0.00 -0.17 0.93 -0.44 1.20 0.00 0.00 173.24 174.76 2dkt s SER 6 N -0.84 7.57 0.00 5.45 0.01 -1.26 -5.05 113.70 119.58 2dkt s SER 6 Ca -0.09 1.91 0.00 0.00 1.31 0.00 0.00 55.95 59.08 2dkt s SER 6 Cb -0.06 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.57 2dkt s SER 6 CO -0.01 0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.37 2dkt n GLY 7 N 1.28 5.11 1.22 3.44 0.00 -1.26 -5.03 105.19 109.95 2dkt n GLY 7 Ca -0.01 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 0.59 0.75 3.59 -0.02 0.00 -1.26 -5.07 105.19 103.78 2dkt n GLY 8 Ca 0.00 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 2dkt n GLY 8 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2dkt s VAL 9 N -2.81 1.89 0.20 1.61 -7.23 -1.26 -5.08 120.40 107.72 2dkt s VAL 9 Ca 0.00 0.00 -0.06 0.00 -1.81 0.00 0.00 61.98 60.11 2dkt s VAL 9 Cb 0.00 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.55 2dkt s VAL 9 CO 0.00 0.00 0.24 -0.13 -0.31 0.00 0.00 175.10 174.90 2dkt s ARG 10 N -4.92 1.25 0.34 4.82 0.52 -1.26 -5.18 118.95 114.52 2dkt s ARG 10 Ca 0.67 -1.43 0.03 0.00 -0.52 0.00 0.00 55.73 54.49 2dkt s ARG 10 Cb -0.18 0.34 -0.04 0.00 0.52 0.00 0.00 34.95 35.59 2dkt s ARG 10 CO 0.59 -0.45 0.12 -0.80 0.02 0.00 0.00 175.30 174.79 2dkt s ASN 11 N -3.08 2.15 0.35 0.23 -0.87 -1.26 -5.17 114.94 107.30 2dkt s ASN 11 Ca 0.29 -1.55 0.09 0.00 -1.57 0.00 0.00 52.86 50.12 2dkt s ASN 11 Cb 0.04 0.31 -0.06 0.00 -0.02 0.00 0.00 41.25 41.52 2dkt s ASN 11 CO 0.08 -0.83 -0.04 -0.76 -2.57 0.00 0.00 177.10 172.98 2dkt s LEU 12 N -3.48 2.84 0.12 0.60 1.02 -1.26 -5.16 118.68 113.36 2dkt s LEU 12 Ca 0.32 -1.16 -0.01 0.00 0.02 0.00 0.00 54.13 53.30 2dkt s LEU 12 Cb 0.05 -1.10 -0.04 0.00 0.02 0.00 0.00 46.19 45.12 2dkt s LEU 12 CO 0.16 -0.26 0.05 0.00 0.02 0.00 0.00 176.35 176.32 2dkt s ALA 13 N -2.60 0.80 -0.10 4.21 0.00 -1.26 -5.16 121.76 117.65 2dkt s ALA 13 Ca 0.34 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 50.87 2dkt s ALA 13 Cb 0.03 0.79 -0.02 0.00 0.00 0.00 0.00 23.12 23.91 2dkt s ALA 13 CO 0.18 -0.47 -0.10 1.14 0.00 0.00 0.00 175.76 176.50 2dkt s GLN 14 N -4.03 3.12 0.00 0.00 0.00 -1.26 -5.01 119.66 112.47 2dkt s GLN 14 Ca 0.22 -0.63 0.00 0.00 -0.00 0.00 0.00 55.36 54.95 2dkt s GLN 14 Cb 0.07 -2.62 0.00 0.00 0.00 0.00 0.00 33.01 30.46 2dkt s GLN 14 CO 0.00 0.41 0.00 0.41 0.00 0.00 0.00 175.29 176.11 2dkt n GLY 15 N 2.98 -0.03 1.26 2.60 0.00 -1.26 -4.99 105.19 105.75 2dkt n GLY 15 Ca -0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 2dkt n GLY 15 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dkt n PRO 16 N -1.45 -1.79 -2.01 1.61 -0.04 -1.26 -3.65 135.00 126.42 2dkt n PRO 16 Ca 0.00 -0.63 -0.18 0.00 -0.04 0.00 0.00 63.50 62.65 2dkt n PRO 16 Cb 0.00 -0.59 -0.04 0.00 -0.04 0.00 0.00 33.50 32.83 2dkt n PRO 16 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2dkt n ARG 17 N -2.71 -1.38 -0.13 0.54 3.00 -1.25 -4.53 116.66 110.19 2dkt n ARG 17 Ca 0.05 0.99 0.00 0.00 -0.01 0.00 0.00 57.85 58.89 2dkt n ARG 17 Cb 0.21 -5.41 0.00 0.00 0.00 0.00 0.00 32.46 27.26 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 -0.90 0.31 4.00 -0.13 0.00 -0.46 -4.71 105.19 103.30 2dkt n GLY 18 Ca -0.20 -0.97 -0.18 0.00 0.00 0.00 0.00 46.02 44.67 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 0.63 0.00 0.36 0.00 5.08 -1.94 -1.94 114.58 116.77 2dkt h GLU 20 Ca -0.39 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.95 2dkt h GLU 20 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2dkt h GLU 20 CO 0.46 0.00 -0.17 0.45 -1.00 0.00 0.00 179.01 178.75 2dkt h HIS 21 N 0.00 -0.44 -4.24 4.33 3.86 -1.98 -3.48 115.15 113.20 2dkt h HIS 21 Ca 0.34 -0.01 -0.15 0.00 -1.16 0.00 0.00 60.37 59.39 2dkt h HIS 21 Cb 1.64 0.15 -0.14 0.00 1.06 0.00 0.00 27.41 30.11 2dkt h HIS 21 CO 0.00 -0.28 -0.57 0.71 0.86 0.00 0.00 177.93 178.66 2dkt s TYR 22 N -3.15 0.65 -0.63 2.45 2.02 -0.73 -5.11 117.35 112.85 2dkt s TYR 22 Ca -0.07 -1.06 -0.07 0.00 -0.37 0.00 0.00 57.07 55.50 2dkt s TYR 22 Cb 0.01 -0.35 0.16 0.00 -0.40 0.00 0.00 41.96 41.38 2dkt s TYR 22 CO 0.21 -0.53 0.49 -0.51 -1.57 0.00 0.00 175.55 173.64 2dkt s ASP 23 N -2.99 5.74 0.27 2.29 1.11 -1.26 0.07 116.67 121.90 2dkt s ASP 23 Ca 0.18 -2.57 0.04 0.00 0.18 0.00 0.00 52.55 50.38 2dkt s ASP 23 Cb 0.07 -1.98 -0.06 0.00 1.07 0.00 0.00 42.92 42.02 2dkt s ASP 23 CO -0.02 -0.50 0.02 0.00 1.18 0.00 0.00 175.17 175.84 2dkt s ARG 24 N 0.37 1.47 -0.17 8.23 1.70 -1.26 -2.50 118.95 126.79 2dkt s ARG 24 Ca 0.14 -1.77 0.14 0.00 -0.47 0.00 0.00 55.73 53.77 2dkt s ARG 24 Cb -0.19 -0.74 0.42 0.00 -0.57 0.00 0.00 34.95 33.87 2dkt s ARG 24 CO -0.04 -0.12 1.21 0.00 -1.08 0.00 0.00 175.30 175.27 2dkt n ALA 25 N -0.53 3.41 -3.67 7.88 0.00 -1.25 -1.36 120.51 125.00 2dkt n ALA 25 Ca -0.04 -3.11 -0.08 0.00 0.00 0.00 0.00 53.44 50.20 2dkt n ALA 25 Cb 0.65 -0.43 -0.09 0.00 0.00 0.00 0.00 19.45 19.58 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 1.74 4.60 -0.19 0.00 1.02 0.62 -4.79 118.68 121.67 2dkt s LEU 27 Ca -0.09 1.67 -0.19 0.00 0.02 0.00 0.00 54.13 55.55 2dkt s LEU 27 Cb -0.08 -3.32 -0.03 0.00 0.02 0.00 0.00 46.19 42.78 2dkt s LEU 27 CO -0.16 0.20 0.53 -1.48 0.02 0.00 0.00 176.35 175.46 2dkt s LEU 28 N -1.12 4.16 0.67 1.79 0.05 -1.18 -0.60 118.68 122.45 2dkt s LEU 28 Ca 0.36 0.71 -0.17 0.00 0.05 0.00 0.00 54.13 55.08 2dkt s LEU 28 Cb -0.23 -2.73 -0.00 0.00 -2.05 0.00 0.00 46.19 41.17 2dkt s LEU 28 CO 0.27 -0.17 1.20 1.17 -0.55 0.00 0.00 176.35 178.26 2dkt n LYS 29 N 4.69 0.91 -3.79 1.48 3.00 -1.23 -3.66 118.16 119.56 2dkt n LYS 29 Ca -0.05 0.37 -0.36 0.00 -0.00 0.00 0.00 58.31 58.27 2dkt n LYS 29 Cb 0.50 -2.44 -0.12 0.00 0.00 0.00 0.00 35.03 32.98 2dkt n LYS 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2dkt s ALA 30 N -1.53 3.12 -2.00 3.14 0.00 0.27 -4.83 121.76 119.93 2dkt s ALA 30 Ca 0.80 -2.45 0.06 0.00 0.00 0.00 0.00 51.96 50.37 2dkt s ALA 30 Cb -0.37 -2.36 0.37 0.00 0.00 0.00 0.00 23.12 20.76 2dkt s ALA 30 CO 0.43 -1.74 0.83 -0.35 0.00 0.00 0.00 175.76 174.93 2dkt n PRO 31 N 4.60 0.49 -0.10 0.00 -0.04 -1.26 0.18 135.00 138.87 2dkt n PRO 31 Ca -0.03 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.23 2dkt n PRO 31 Cb 0.42 -1.20 -0.12 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.12 -5.71 -4.81 0.00 2.03 0.48 -5.00 116.55 103.42 2dkt n ASP 34 Ca 0.00 -0.27 -0.26 0.00 0.52 0.00 0.00 54.79 54.79 2dkt n ASP 34 Cb 0.23 -4.52 -0.05 0.00 -0.72 0.00 0.00 41.12 36.06 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 -5.61 2.27 -0.05 -0.67 1.02 -1.15 -4.82 119.74 110.72 2dkt s LYS 35 Ca 0.29 -1.92 0.02 0.00 0.02 0.00 0.00 55.97 54.38 2dkt s LYS 35 Cb -0.13 -2.02 0.01 0.00 -0.52 0.00 0.00 37.83 35.18 2dkt s LYS 35 CO 0.35 -0.31 -0.10 -0.51 -0.92 0.00 0.00 175.35 173.87 2dkt s LEU 36 N -4.05 1.58 0.01 3.17 1.43 -1.26 0.94 118.68 120.49 2dkt s LEU 36 Ca 0.36 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 2dkt s LEU 36 Cb 0.01 -0.69 -0.01 0.00 0.03 0.00 0.00 46.19 45.53 2dkt s LEU 36 CO 0.21 0.01 -0.02 -0.31 0.23 0.00 0.00 176.35 176.47 2dkt s TYR 37 N 0.67 0.16 0.03 0.29 1.51 -1.24 -4.99 117.35 113.78 2dkt s TYR 37 Ca -0.13 -0.22 -0.06 0.00 -1.01 0.00 0.00 57.07 55.66 2dkt s TYR 37 Cb -0.15 -0.11 -0.01 0.00 -0.11 0.00 0.00 41.96 41.58 2dkt s TYR 37 CO 0.02 -0.07 0.66 2.41 -1.11 0.00 0.00 175.55 177.46 2dkt n THR 38 N 2.47 -0.14 -4.51 -0.71 -1.04 -1.26 -3.12 114.28 105.97 2dkt n THR 38 Ca -0.17 1.01 -0.25 0.00 -2.04 0.00 0.00 64.05 62.60 2dkt n THR 38 Cb 0.58 -1.30 -0.08 0.00 -1.82 0.00 0.00 70.33 67.71 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 1.81 0.66 -0.44 0.00 -0.00 -1.94 -2.65 114.38 111.82 2dkt h ARG 40 Ca -0.36 -0.17 -0.08 0.00 -0.00 0.00 0.00 59.98 59.37 2dkt h ARG 40 Cb 1.27 -0.08 -0.02 0.00 -0.00 0.00 0.00 29.97 31.14 2dkt h ARG 40 CO 0.57 0.70 -0.07 -0.07 -0.00 0.00 0.00 179.97 181.11 2dkt h LEU 41 N 0.62 0.74 -0.22 0.08 3.38 -1.96 -3.03 115.31 114.91 2dkt h LEU 41 Ca 0.12 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 2dkt h LEU 41 Cb 0.43 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2dkt h LEU 41 CO 0.02 0.85 0.13 0.00 0.09 0.00 0.00 178.44 179.53 2dkt h HIS 43 N 0.27 -1.09 -0.95 0.00 -0.00 -1.39 0.14 115.15 112.12 2dkt h HIS 43 Ca 0.08 0.06 0.13 0.00 -0.00 0.00 0.00 60.37 60.64 2dkt h HIS 43 Cb 0.03 0.52 -0.08 0.00 -0.00 0.00 0.00 27.41 27.88 2dkt h HIS 43 CO -0.05 -0.30 0.60 0.22 -0.00 0.00 0.00 177.93 178.41 2dkt h ASP 44 N -0.22 0.80 -0.65 3.26 3.58 -1.58 0.17 116.42 121.78 2dkt h ASP 44 Ca 0.05 0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.56 2dkt h ASP 44 Cb 0.36 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.26 2dkt h ASP 44 CO -0.41 0.41 0.43 0.74 -2.88 0.00 0.00 179.24 177.53 2dkt h THR 45 N 0.85 1.17 -0.45 2.25 2.02 -0.26 -2.00 112.91 116.50 2dkt h THR 45 Ca 0.48 -0.32 -0.14 0.00 0.77 0.00 0.00 66.41 67.20 2dkt h THR 45 Cb 0.61 0.21 -0.08 0.00 -1.74 0.00 0.00 68.15 67.15 2dkt h THR 45 CO -0.24 0.17 0.08 0.59 0.37 0.00 0.00 175.52 176.48 2dkt n ASN 46 N -4.43 3.69 -3.88 4.18 3.02 0.26 -4.98 115.26 113.12 2dkt n ASN 46 Ca 0.07 -3.33 -0.09 0.00 -0.03 0.00 0.00 54.58 51.19 2dkt n ASN 46 Cb 0.04 -0.64 -0.07 0.00 -0.61 0.00 0.00 39.78 38.51 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 -3.03 1.04 0.18 3.52 0.41 0.40 -5.00 118.70 116.22 2dkt s GLU 47 Ca 0.47 -1.04 0.23 0.00 -0.41 0.00 0.00 54.97 54.22 2dkt s GLU 47 Cb 0.39 0.38 0.14 0.00 -1.78 0.00 0.00 34.13 33.26 2dkt s GLU 47 CO 0.07 -0.37 1.17 -0.44 -0.49 0.00 0.00 175.26 175.21 2dkt h ASP 48 N 2.59 0.00 -2.19 -0.19 3.32 -1.87 -3.43 116.42 114.65 2dkt h ASP 48 Ca -0.33 -0.10 -0.55 0.00 0.02 0.00 0.00 57.03 56.07 2dkt h ASP 48 Cb 1.22 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.68 2dkt h ASP 48 CO 0.51 0.05 -0.63 -1.38 -1.72 0.00 0.00 179.24 176.06 2dkt s HIS 49 N -3.28 2.73 -0.07 4.55 -3.43 -1.26 -5.12 115.29 109.42 2dkt s HIS 49 Ca 0.02 -0.22 -0.12 0.00 -0.80 0.00 0.00 55.06 53.95 2dkt s HIS 49 Cb 0.11 -1.22 -0.05 0.00 -1.43 0.00 0.00 32.58 29.99 2dkt s HIS 49 CO 0.76 0.61 0.30 -0.65 -2.00 0.00 0.00 174.74 173.76 2dkt s GLN 50 N -3.69 3.82 0.15 -0.38 -0.21 -1.26 -4.24 119.66 113.85 2dkt s GLN 50 Ca 0.32 0.19 0.00 0.00 0.02 0.00 0.00 55.36 55.88 2dkt s GLN 50 Cb -0.06 -3.24 -0.04 0.00 1.00 0.00 0.00 33.01 30.66 2dkt s GLN 50 CO 0.20 0.65 0.32 -1.17 -2.12 0.00 0.00 175.29 173.17 2dkt s LEU 51 N -0.81 4.29 0.44 2.90 0.20 -1.26 -5.03 118.68 119.42 2dkt s LEU 51 Ca 0.20 0.31 -0.10 0.00 0.69 0.00 0.00 54.13 55.23 2dkt s LEU 51 Cb -0.15 -3.05 -0.06 0.00 -0.43 0.00 0.00 46.19 42.51 2dkt s LEU 51 CO 0.09 0.03 0.80 -1.81 -0.29 0.00 0.00 176.35 175.18 2dkt s ASP 52 N -3.03 6.46 -0.00 3.68 1.01 -1.26 -5.00 116.67 118.54 2dkt s ASP 52 Ca 0.37 1.14 0.09 0.00 0.71 0.00 0.00 52.55 54.86 2dkt s ASP 52 Cb -0.11 -2.33 -0.10 0.00 1.01 0.00 0.00 42.92 41.39 2dkt s ASP 52 CO 0.28 -0.48 0.39 -2.11 0.21 0.00 0.00 175.17 173.47 2dkt n ARG 53 N -1.59 3.94 -0.11 8.23 1.85 -1.26 -4.51 116.66 123.19 2dkt n ARG 53 Ca 0.03 -0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 56.70 2dkt n ARG 53 Cb 0.54 -0.94 -0.10 0.00 -1.05 0.00 0.00 32.46 30.92 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 -1.22 0.00 0.16 2.89 3.72 -1.26 -4.26 117.46 117.49 2dkt n PHE 54 Ca 0.02 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.30 2dkt n PHE 54 Cb 0.14 -0.86 -0.06 0.00 -0.94 0.00 0.00 39.48 37.76 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 -0.20 -0.58 -6.62 -1.08 1.79 -1.94 -3.42 116.57 104.51 2dkt h LYS 55 Ca -0.53 0.04 -0.58 0.00 -2.18 0.00 0.00 60.65 57.40 2dkt h LYS 55 Cb 1.72 0.13 0.09 0.00 -1.58 0.00 0.00 32.23 32.60 2dkt h LYS 55 CO -0.15 -0.39 0.52 1.55 -1.08 0.00 0.00 179.45 179.90 2dkt n VAL 56 N -4.33 1.40 0.00 0.50 3.14 -1.26 -4.89 118.33 112.89 2dkt n VAL 56 Ca -0.07 -0.35 0.00 0.00 -2.96 0.00 0.00 64.34 60.96 2dkt n VAL 56 Cb 0.29 -1.44 0.00 0.00 -1.06 0.00 0.00 33.84 31.63 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 1.40 0.37 -1.43 1.45 4.81 -1.26 -4.93 118.16 118.56 2dkt n LYS 57 Ca 0.09 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.21 2dkt n LYS 57 Cb 0.33 -0.79 0.08 0.00 0.02 0.00 0.00 35.03 34.66 2dkt n LYS 57 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2dkt s GLU 58 N -1.59 2.39 0.03 1.64 2.56 -1.26 -2.41 118.70 120.06 2dkt s GLU 58 Ca 0.00 1.31 -0.15 0.00 0.00 0.00 0.00 54.97 56.13 2dkt s GLU 58 Cb 0.00 -1.90 0.02 0.00 2.00 0.00 0.00 34.13 34.25 2dkt s GLU 58 CO 0.00 -1.56 0.33 0.14 -0.56 0.00 0.00 175.26 173.61 2dkt s VAL 59 N -2.61 0.07 0.06 3.70 -7.23 -1.03 -3.53 120.40 109.83 2dkt s VAL 59 Ca 0.64 -0.60 0.09 0.00 -1.81 0.00 0.00 61.98 60.31 2dkt s VAL 59 Cb -0.19 -0.90 -0.03 0.00 0.56 0.00 0.00 36.38 35.82 2dkt s VAL 59 CO 0.50 -0.33 -0.24 -1.58 -0.31 0.00 0.00 175.10 173.14 2dkt s GLN 60 N -2.35 1.81 0.34 4.82 0.74 0.23 -2.92 119.66 122.34 2dkt s GLN 60 Ca -0.06 -1.11 -0.16 0.00 0.05 0.00 0.00 55.36 54.08 2dkt s GLN 60 Cb -0.01 -2.02 -0.09 0.00 1.10 0.00 0.00 33.01 31.98 2dkt s GLN 60 CO -0.02 0.51 0.77 0.00 -0.55 0.00 0.00 175.29 176.00 2dkt n ILE 62 N -0.44 0.00 -0.04 0.00 -6.64 -0.56 -3.01 119.36 108.67 2dkt n ILE 62 Ca 0.04 -0.20 -0.18 0.00 -1.77 0.00 0.00 62.75 60.64 2dkt n ILE 62 Cb 0.53 0.90 -0.13 0.00 -1.44 0.00 0.00 39.64 39.50 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 0.00 0.15 0.00 7.28 4.21 -1.95 -3.39 115.58 121.88 2dkt h ASN 63 Ca 0.00 -0.86 0.00 0.00 1.21 0.00 0.00 56.30 56.65 2dkt h ASN 63 Cb 0.36 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.51 2dkt h ASN 63 CO 0.00 1.28 -0.07 0.00 -1.29 0.00 0.00 177.43 177.35 2dkt n GLU 65 N -1.22 -0.84 -3.76 0.00 1.02 -1.16 -4.87 120.64 109.80 2dkt n GLU 65 Ca 0.14 0.10 -0.37 0.00 -0.02 0.00 0.00 57.16 57.00 2dkt n GLU 65 Cb 0.65 -3.41 -0.06 0.00 -0.02 0.00 0.00 31.44 28.59 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 -6.20 3.59 0.43 3.49 2.47 -1.26 -4.85 119.74 117.42 2dkt s LYS 66 Ca 0.41 0.02 -0.22 0.00 -1.56 0.00 0.00 55.97 54.63 2dkt s LYS 66 Cb -0.24 -3.18 -0.10 0.00 -1.46 0.00 0.00 37.83 32.85 2dkt s LYS 66 CO 0.81 0.74 0.99 -1.17 0.16 0.00 0.00 175.35 176.88 2dkt s LEU 67 N -1.15 3.98 0.06 5.43 2.96 -1.26 -2.06 118.68 126.64 2dkt s LEU 67 Ca 0.19 1.81 -0.26 0.00 -0.22 0.00 0.00 54.13 55.65 2dkt s LEU 67 Cb -0.13 -4.45 0.09 0.00 0.50 0.00 0.00 46.19 42.19 2dkt s LEU 67 CO 0.08 -0.47 1.19 0.00 -1.32 0.00 0.00 176.35 175.83 2dkt s GLN 68 N -3.00 0.76 0.29 1.98 -2.07 -1.15 -4.96 119.66 111.51 2dkt s GLN 68 Ca 0.62 -0.49 0.03 0.00 -1.82 0.00 0.00 55.36 53.70 2dkt s GLN 68 Cb -0.14 0.21 0.03 0.00 -1.09 0.00 0.00 33.01 32.03 2dkt s GLN 68 CO 0.18 -0.35 0.27 -2.39 -1.32 0.00 0.00 175.29 171.67 2dkt n HIS 69 N -0.80 -1.43 -1.65 9.60 1.44 -1.26 -2.47 115.22 118.64 2dkt n HIS 69 Ca 0.00 -1.19 -0.49 0.00 -2.01 0.00 0.00 57.72 54.03 2dkt n HIS 69 Cb 0.59 -0.25 -0.05 0.00 0.12 0.00 0.00 29.99 30.40 2dkt n HIS 69 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2dkt n ALA 70 N -2.46 0.84 -3.73 1.59 0.00 -1.01 -4.44 120.51 111.29 2dkt n ALA 70 Ca -0.09 0.21 -0.09 0.00 0.00 0.00 0.00 53.44 53.47 2dkt n ALA 70 Cb 0.32 -2.50 0.02 0.00 0.00 0.00 0.00 19.45 17.29 2dkt n ALA 70 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2dkt s GLN 71 N 4.49 2.20 -0.16 0.00 -2.07 -1.26 -5.06 119.66 117.80 2dkt s GLN 71 Ca 0.96 -1.46 0.16 0.00 -1.82 0.00 0.00 55.36 53.20 2dkt s GLN 71 Cb -0.74 0.61 -0.22 0.00 -1.09 0.00 0.00 33.01 31.58 2dkt s GLN 71 CO 0.52 -1.02 0.09 0.94 -1.32 0.00 0.00 175.29 174.49 2dkt n GLN 72 N -0.53 1.13 -4.21 9.60 7.27 -1.26 -4.94 117.38 124.43 2dkt n GLN 72 Ca -0.08 -0.02 -0.15 0.00 0.07 0.00 0.00 57.00 56.83 2dkt n GLN 72 Cb 0.60 -1.44 -0.11 0.00 2.41 0.00 0.00 30.24 31.70 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 -2.49 1.07 0.80 1.69 2.01 -1.26 -0.40 115.64 117.06 2dkt s THR 73 Ca -0.08 -1.80 -0.11 0.00 0.31 0.00 0.00 61.69 60.01 2dkt s THR 73 Cb 0.06 -1.55 0.07 0.00 0.01 0.00 0.00 72.50 71.09 2dkt s THR 73 CO 0.71 -0.61 1.09 0.00 -0.69 0.00 0.00 174.62 175.13 2dkt n GLU 75 N -3.51 1.91 0.00 0.00 -0.58 -1.26 -3.22 120.64 113.97 2dkt n GLU 75 Ca 0.07 -1.74 0.00 0.00 -0.42 0.00 0.00 57.16 55.07 2dkt n GLU 75 Cb 0.55 -1.29 0.00 0.00 -0.57 0.00 0.00 31.44 30.14 2dkt n GLU 75 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2dkt n ASP 76 N 0.71 3.67 -0.00 1.62 -0.08 -1.26 -4.82 116.55 116.39 2dkt n ASP 76 Ca 0.11 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.40 2dkt n ASP 76 Cb 0.40 0.13 -0.01 0.00 2.34 0.00 0.00 41.12 43.98 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 -1.12 -5.45 -4.65 0.00 2.88 -1.20 -4.93 113.62 99.16 2dkt n SER 78 Ca 0.00 -0.47 -0.42 0.00 -1.33 0.00 0.00 58.87 56.66 2dkt n SER 78 Cb 0.03 -4.38 -0.04 0.00 -0.75 0.00 0.00 64.21 59.08 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 -3.19 4.81 -0.26 2.46 2.01 -1.26 -4.61 115.64 115.60 2dkt s THR 79 Ca 0.46 1.66 -0.31 0.00 0.31 0.00 0.00 61.69 63.82 2dkt s THR 79 Cb -0.22 -4.16 -0.08 0.00 0.01 0.00 0.00 72.50 68.06 2dkt s THR 79 CO 0.57 -0.09 2.20 -0.11 -0.69 0.00 0.00 174.62 176.50 2dkt n LEU 80 N 6.05 2.84 0.00 4.42 7.94 -1.26 -3.06 117.00 133.92 2dkt n LEU 80 Ca 0.07 0.32 0.06 0.00 -1.11 0.00 0.00 56.01 55.35 2dkt n LEU 80 Cb 0.47 -1.44 0.37 0.00 0.53 0.00 0.00 43.42 43.36 2dkt n LEU 80 CO 0.48 -0.67 0.70 0.49 -1.11 0.00 0.00 177.39 177.28 2dkt n PHE 81 N 10.77 0.00 0.00 1.96 3.72 0.46 -4.63 117.46 129.75 2dkt n PHE 81 Ca 0.34 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.74 2dkt n PHE 81 Cb 0.36 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.90 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 0.57 3.71 0.35 1.37 0.00 -1.26 -3.82 105.19 106.12 2dkt n GLY 82 Ca 0.09 -0.42 0.24 0.00 0.00 0.00 0.00 46.02 45.93 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 0.35 -5.15 1.61 5.08 -1.85 -3.36 114.58 111.25 2dkt h GLU 83 Ca 0.00 -0.02 -0.65 0.00 -1.00 0.00 0.00 59.36 57.69 2dkt h GLU 83 Cb 0.00 -0.08 -0.25 0.00 0.50 0.00 0.00 28.75 28.92 2dkt h GLU 83 CO 0.00 0.23 -0.70 -0.47 -1.00 0.00 0.00 179.01 177.07 2dkt s TYR 84 N -5.64 2.96 -0.16 4.33 5.04 -1.08 -4.98 117.35 117.82 2dkt s TYR 84 Ca -0.10 -0.63 0.00 0.00 -2.44 0.00 0.00 57.07 53.91 2dkt s TYR 84 Cb 0.29 -2.02 0.03 0.00 0.35 0.00 0.00 41.96 40.61 2dkt s TYR 84 CO 0.79 -0.30 -0.12 1.52 -1.34 0.00 0.00 175.55 176.10 2dkt s TYR 85 N 0.90 2.18 0.04 4.97 1.13 -1.26 -2.65 117.35 122.67 2dkt s TYR 85 Ca -0.01 -1.29 -0.10 0.00 -1.41 0.00 0.00 57.07 54.25 2dkt s TYR 85 Cb -0.15 -1.58 -0.06 0.00 -1.10 0.00 0.00 41.96 39.08 2dkt s TYR 85 CO 0.01 -0.68 0.37 0.00 -2.51 0.00 0.00 175.55 172.74 2dkt n SER 87 N 1.23 0.93 0.06 0.00 3.41 -1.26 -2.84 113.62 115.15 2dkt n SER 87 Ca -0.11 -0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.39 2dkt n SER 87 Cb 0.53 0.28 -0.08 0.00 -0.26 0.00 0.00 64.21 64.68 2dkt n SER 87 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2dkt h ILE 88 N 0.00 0.85 0.00 -1.33 2.04 -1.94 -3.29 117.51 113.84 2dkt h ILE 88 Ca -0.53 -1.08 0.00 0.00 1.00 0.00 0.00 64.86 64.25 2dkt h ILE 88 Cb 2.09 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 39.57 2dkt h ILE 88 CO -0.01 0.21 -0.30 0.00 0.00 0.00 0.00 178.15 178.05 2dkt n HIS 90 N -2.30 -2.39 -4.47 0.00 8.25 -1.13 -4.41 115.22 108.77 2dkt n HIS 90 Ca 0.04 0.94 -0.30 0.00 -0.26 0.00 0.00 57.72 58.14 2dkt n HIS 90 Cb 0.45 -4.69 -0.12 0.00 1.12 0.00 0.00 29.99 26.75 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 -6.93 2.78 -0.22 2.41 0.20 -1.22 -4.94 118.68 110.75 2dkt s LEU 91 Ca 0.33 -0.41 -0.01 0.00 0.69 0.00 0.00 54.13 54.73 2dkt s LEU 91 Cb -0.16 -1.62 0.06 0.00 -0.43 0.00 0.00 46.19 44.04 2dkt s LEU 91 CO 0.77 0.23 -0.01 -0.36 -0.29 0.00 0.00 176.35 176.69 2dkt s PHE 92 N -1.04 1.82 0.02 5.38 0.08 -1.26 -1.36 117.98 121.62 2dkt s PHE 92 Ca 0.17 -1.40 0.03 0.00 0.12 0.00 0.00 56.93 55.85 2dkt s PHE 92 Cb -0.11 -1.37 -0.02 0.00 -0.57 0.00 0.00 43.02 40.96 2dkt s PHE 92 CO 0.08 -0.71 -0.11 -0.51 -0.10 0.00 0.00 175.22 173.87 2dkt s ASP 93 N 1.59 1.25 1.40 1.36 1.01 -1.08 -4.15 116.67 118.04 2dkt s ASP 93 Ca -0.03 -0.34 -0.22 0.00 0.71 0.00 0.00 52.55 52.67 2dkt s ASP 93 Cb -0.18 -0.09 0.35 0.00 1.01 0.00 0.00 42.92 44.01 2dkt s ASP 93 CO -0.08 0.03 0.81 2.29 0.21 0.00 0.00 175.17 178.44 2dkt n LYS 94 N 2.26 -4.39 -2.01 8.23 2.85 -1.04 -2.63 118.16 121.44 2dkt n LYS 94 Ca -0.17 -1.30 -0.30 0.00 -1.05 0.00 0.00 58.31 55.50 2dkt n LYS 94 Cb 0.56 -1.88 -0.04 0.00 -0.65 0.00 0.00 35.03 33.01 2dkt n LYS 94 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2dkt s ASP 95 N -2.88 5.10 -0.40 -5.58 2.15 -1.26 -4.62 116.67 109.18 2dkt s ASP 95 Ca 0.63 -0.30 0.06 0.00 0.43 0.00 0.00 52.55 53.38 2dkt s ASP 95 Cb -0.12 -2.55 0.43 0.00 -0.30 0.00 0.00 42.92 40.38 2dkt s ASP 95 CO 0.54 -2.69 1.12 1.17 -0.17 0.00 0.00 175.17 175.14 2dkt n LYS 96 N 8.96 3.35 -4.09 4.34 4.81 -1.26 -4.95 118.16 129.32 2dkt n LYS 96 Ca 0.34 -4.37 -0.35 0.00 -0.87 0.00 0.00 58.31 53.07 2dkt n LYS 96 Cb 0.48 -2.20 -0.04 0.00 0.02 0.00 0.00 35.03 33.29 2dkt n LYS 96 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2dkt n ARG 97 N -0.51 -0.61 -4.70 1.64 3.00 -1.26 -4.66 116.66 109.55 2dkt n ARG 97 Ca 0.38 0.03 -0.29 0.00 -0.00 0.00 0.00 57.85 57.98 2dkt n ARG 97 Cb 0.74 -2.62 -0.14 0.00 0.00 0.00 0.00 32.46 30.44 2dkt n ARG 97 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 2dkt s GLN 98 N -7.07 1.59 0.04 -0.14 -2.07 -1.26 0.93 119.66 111.68 2dkt s GLN 98 Ca 0.22 -1.14 0.04 0.00 -1.82 0.00 0.00 55.36 52.66 2dkt s GLN 98 Cb -0.12 -1.84 -0.02 0.00 -1.09 0.00 0.00 33.01 29.93 2dkt s GLN 98 CO 0.88 0.46 -0.12 1.52 -1.32 0.00 0.00 175.29 176.72 2dkt s TYR 99 N -0.89 1.00 -0.24 9.60 -0.85 0.24 -4.80 117.35 121.42 2dkt s TYR 99 Ca 0.11 -0.39 -0.16 0.00 -0.52 0.00 0.00 57.07 56.11 2dkt s TYR 99 Cb -0.10 -0.59 -0.03 0.00 0.38 0.00 0.00 41.96 41.62 2dkt s TYR 99 CO 0.03 0.01 0.43 -1.58 -1.52 0.00 0.00 175.55 172.92 2dkt s HIS 100 N -1.02 3.31 -0.05 -3.49 5.65 -1.26 0.12 115.29 118.55 2dkt s HIS 100 Ca -0.02 0.58 -0.25 0.00 0.25 0.00 0.00 55.06 55.61 2dkt s HIS 100 Cb -0.08 -2.60 -0.03 0.00 -1.18 0.00 0.00 32.58 28.68 2dkt s HIS 100 CO 0.01 -0.15 0.79 0.00 -0.65 0.00 0.00 174.74 174.74 2dkt h GLU 102 N 6.77 0.54 -0.60 0.00 5.08 -1.95 0.54 114.58 124.95 2dkt h GLU 102 Ca -0.41 -0.73 0.06 0.00 -1.00 0.00 0.00 59.36 57.28 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 0.75 1.32 0.40 0.77 -1.00 0.00 0.00 179.01 181.25 2dkt h SER 103 N 0.10 0.52 0.10 1.42 0.02 -1.97 -2.52 113.55 111.22 2dkt h SER 103 Ca -0.17 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.56 2dkt h SER 103 Cb 1.80 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 64.18 2dkt h SER 103 CO 0.21 0.34 -2.13 0.00 -1.14 0.00 0.00 176.83 174.11 2dkt n GLY 105 N 1.54 0.98 3.26 0.00 0.00 0.19 -5.01 105.19 106.14 2dkt n GLY 105 Ca -0.20 -0.69 -0.17 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.29 1.38 0.25 -0.61 -4.36 -1.06 -4.66 121.20 109.84 2dkt s ILE 106 Ca 0.00 -1.88 -0.30 0.00 -0.26 0.00 0.00 60.65 58.21 2dkt s ILE 106 Cb 0.00 -1.70 -0.09 0.00 1.25 0.00 0.00 42.46 41.92 2dkt s ILE 106 CO 0.00 -0.52 1.01 0.00 0.24 0.00 0.00 174.94 175.67 2dkt s ARG 108 N -1.21 1.01 -0.21 0.00 1.81 0.12 -4.90 118.95 115.57 2dkt s ARG 108 Ca 0.43 -1.47 -0.10 0.00 -1.72 0.00 0.00 55.73 52.88 2dkt s ARG 108 Cb -0.28 -0.19 -0.05 0.00 -0.45 0.00 0.00 34.95 33.98 2dkt s ARG 108 CO 0.35 -0.11 0.12 0.42 -0.68 0.00 0.00 175.30 175.40 2dkt s ILE 109 N -3.69 5.25 0.00 1.52 -1.09 -1.26 0.83 121.20 122.75 2dkt s ILE 109 Ca 0.20 0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.76 2dkt s ILE 109 Cb 0.06 -3.40 0.00 0.00 -1.58 0.00 0.00 42.46 37.54 2dkt s ILE 109 CO 0.01 0.42 0.00 0.61 -1.23 0.00 0.00 174.94 174.75 2dkt n GLY 110 N 3.73 0.98 3.69 6.18 0.00 0.27 -4.81 105.19 115.23 2dkt n GLY 110 Ca -0.16 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 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 0.46 4.28 0.36 1.61 0.04 -1.26 -4.94 135.00 135.55 2dkt s PRO 111 Ca 0.00 2.02 0.21 0.00 0.04 0.00 0.00 61.00 63.28 2dkt s PRO 111 Cb 0.00 -3.51 1.28 0.00 0.04 0.00 0.00 34.50 32.31 2dkt s PRO 111 CO 0.00 -0.56 1.47 1.17 0.04 0.00 0.00 177.00 179.12 2dkt n LYS 112 N 5.10 -0.05 -0.20 4.56 3.00 -1.26 0.58 118.16 129.89 2dkt n LYS 112 Ca 0.13 1.27 -0.02 0.00 -0.00 0.00 0.00 58.31 59.69 2dkt n LYS 112 Cb 0.43 -2.31 0.05 0.00 0.00 0.00 0.00 35.03 33.20 2dkt n LYS 112 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2dkt h GLU 113 N 0.00 -0.03 -1.27 1.64 5.08 -2.00 0.30 114.58 118.30 2dkt h GLU 113 Ca 0.80 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.85 2dkt h GLU 113 Cb 2.19 0.01 -0.15 0.00 0.50 0.00 0.00 28.75 31.29 2dkt h GLU 113 CO -0.67 -0.02 0.40 -3.47 -1.00 0.00 0.00 179.01 174.24 2dkt n ASP 114 N -5.43 5.10 -3.90 1.42 2.03 0.20 -4.87 116.55 111.10 2dkt n ASP 114 Ca 0.06 -2.98 -0.08 0.00 0.52 0.00 0.00 54.79 52.32 2dkt n ASP 114 Cb 0.33 -0.88 -0.03 0.00 -0.72 0.00 0.00 41.12 39.81 2dkt n ASP 114 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2dkt s PHE 115 N -1.83 0.03 0.23 -0.67 0.40 0.11 -2.95 117.98 113.30 2dkt s PHE 115 Ca 0.31 -0.44 -0.22 0.00 -0.60 0.00 0.00 56.93 55.98 2dkt s PHE 115 Cb 0.25 0.48 0.06 0.00 0.51 0.00 0.00 43.02 44.32 2dkt s PHE 115 CO 0.02 -1.12 0.91 -0.59 0.70 0.00 0.00 175.22 175.15 2dkt s PHE 116 N -3.95 -0.04 -0.10 0.36 -0.12 0.32 -4.65 117.98 109.80 2dkt s PHE 116 Ca 0.15 -0.40 0.01 0.00 -0.05 0.00 0.00 56.93 56.64 2dkt s PHE 116 Cb -0.03 0.71 0.02 0.00 -0.63 0.00 0.00 43.02 43.08 2dkt s PHE 116 CO 0.07 -1.07 -0.11 -1.58 -0.05 0.00 0.00 175.22 172.48 2dkt s HIS 117 N -2.90 1.62 0.13 3.49 5.65 -1.26 -0.21 115.29 121.82 2dkt s HIS 117 Ca 0.15 -0.76 -0.14 0.00 0.25 0.00 0.00 55.06 54.56 2dkt s HIS 117 Cb -0.03 -1.25 -0.07 0.00 -1.18 0.00 0.00 32.58 30.05 2dkt s HIS 117 CO 0.06 -0.46 0.52 0.00 -0.65 0.00 0.00 174.74 174.21 2dkt h LEU 119 N 3.60 0.00 -0.84 0.00 3.38 -1.97 -2.36 115.31 117.12 2dkt h LEU 119 Ca -0.49 0.00 0.26 0.00 0.09 0.00 0.00 57.88 57.74 2dkt h LEU 119 Cb 1.19 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.79 2dkt h LEU 119 CO 0.66 0.11 0.12 0.29 0.09 0.00 0.00 178.44 179.70 2dkt n LYS 120 N -2.56 -0.06 0.05 1.13 4.76 -1.26 0.21 118.16 120.43 2dkt n LYS 120 Ca -0.00 1.23 -0.15 0.00 -2.87 0.00 0.00 58.31 56.52 2dkt n LYS 120 Cb 0.02 -2.01 -0.05 0.00 -1.84 0.00 0.00 35.03 31.14 2dkt n LYS 120 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dkt n ASN 122 N -3.79 -2.68 -3.73 0.00 4.13 0.57 -5.04 115.26 104.72 2dkt n ASN 122 Ca -0.07 -0.24 -0.06 0.00 1.68 0.00 0.00 54.58 55.88 2dkt n ASN 122 Cb 0.83 -2.38 -0.02 0.00 -1.54 0.00 0.00 39.78 36.67 2dkt n ASN 122 CO 0.00 0.00 0.00 -1.48 0.28 0.00 0.00 177.26 176.06 2dkt s LEU 123 N -3.71 -0.28 0.24 3.41 0.05 -1.11 -4.96 118.68 112.31 2dkt s LEU 123 Ca 0.09 -0.40 -0.20 0.00 0.05 0.00 0.00 54.13 53.66 2dkt s LEU 123 Cb -0.04 2.44 -0.08 0.00 -2.05 0.00 0.00 46.19 46.46 2dkt s LEU 123 CO 0.30 -1.07 0.76 0.00 -0.55 0.00 0.00 176.35 175.78 2dkt s LEU 125 N -2.01 0.75 0.51 0.00 1.43 0.71 -4.92 118.68 115.15 2dkt s LEU 125 Ca 0.44 0.58 -0.20 0.00 -1.03 0.00 0.00 54.13 53.92 2dkt s LEU 125 Cb -0.17 1.16 -0.07 0.00 0.03 0.00 0.00 46.19 47.14 2dkt s LEU 125 CO 0.21 -0.17 1.09 0.28 0.23 0.00 0.00 176.35 178.00 2dkt s THR 126 N -0.05 3.44 0.30 5.49 -1.32 -1.26 -0.52 115.64 121.71 2dkt s THR 126 Ca -0.02 0.92 0.05 0.00 -1.21 0.00 0.00 61.69 61.43 2dkt s THR 126 Cb -0.03 -3.39 0.29 0.00 -1.51 0.00 0.00 72.50 67.87 2dkt s THR 126 CO 0.01 -0.17 1.76 0.71 -2.21 0.00 0.00 174.62 174.72 2dkt h THR 127 N 1.45 0.66 -1.16 5.08 1.35 -1.80 0.13 112.91 118.63 2dkt h THR 127 Ca -0.50 -0.23 0.34 0.00 -0.55 0.00 0.00 66.41 65.47 2dkt h THR 127 Cb 1.24 -0.08 -0.05 0.00 -1.73 0.00 0.00 68.15 67.54 2dkt h THR 127 CO 0.58 0.12 1.01 -1.13 -0.25 0.00 0.00 175.52 175.86 2dkt h ASN 128 N 0.68 0.00 -1.77 5.36 -1.24 -1.92 0.32 115.58 117.02 2dkt h ASN 128 Ca 0.57 0.00 -0.67 0.00 0.71 0.00 0.00 56.30 56.91 2dkt h ASN 128 Cb 0.92 0.00 -0.36 0.00 0.73 0.00 0.00 38.32 39.61 2dkt h ASN 128 CO -0.41 0.00 0.04 0.18 -1.29 0.00 0.00 177.43 175.95 2dkt n LEU 129 N -3.74 5.90 -4.42 0.34 4.77 0.44 -4.89 117.00 115.40 2dkt n LEU 129 Ca 0.25 -5.10 -0.44 0.00 -0.03 0.00 0.00 56.01 50.69 2dkt n LEU 129 Cb 1.38 -0.73 -0.00 0.00 -2.33 0.00 0.00 43.42 41.74 2dkt n LEU 129 CO 0.34 2.05 1.18 -0.60 -1.33 0.00 0.00 177.39 179.03 2dkt s ARG 130 N -3.78 4.14 0.00 3.23 3.52 0.11 -4.27 118.95 121.91 2dkt s ARG 130 Ca 0.49 -2.82 0.00 0.00 -0.13 0.00 0.00 55.73 53.28 2dkt s ARG 130 Cb 0.40 -4.89 0.00 0.00 -1.56 0.00 0.00 34.95 28.91 2dkt s ARG 130 CO -0.28 -1.58 0.00 0.41 -0.81 0.00 0.00 175.30 173.04 2dkt n GLY 131 N 3.60 3.32 0.29 8.12 0.00 -1.26 -4.94 105.19 114.32 2dkt n GLY 131 Ca 0.32 -1.07 0.02 0.00 0.00 0.00 0.00 46.02 45.30 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 0.67 -7.00 1.61 3.64 -1.90 -3.42 116.57 110.17 2dkt h LYS 132 Ca 0.00 -0.04 -0.51 0.00 -1.27 0.00 0.00 60.65 58.83 2dkt h LYS 132 Cb 0.00 -0.15 0.06 0.00 -0.41 0.00 0.00 32.23 31.73 2dkt h LYS 132 CO 0.00 0.44 0.49 -3.38 -2.27 0.00 0.00 179.45 174.73 2dkt s HIS 133 N -6.04 2.86 0.15 1.91 -3.43 -1.26 -5.04 115.29 104.45 2dkt s HIS 133 Ca -0.12 1.53 -0.00 0.00 -0.80 0.00 0.00 55.06 55.67 2dkt s HIS 133 Cb 0.19 -3.39 -0.04 0.00 -1.43 0.00 0.00 32.58 27.91 2dkt s HIS 133 CO 0.77 -1.53 0.33 -1.59 -2.00 0.00 0.00 174.74 170.71 2dkt s LYS 134 N -2.70 3.49 -0.02 -0.38 -2.85 -1.26 -5.04 119.74 110.99 2dkt s LYS 134 Ca 0.64 -0.40 -0.04 0.00 -1.00 0.00 0.00 55.97 55.17 2dkt s LYS 134 Cb -0.29 -2.91 -0.02 0.00 -2.06 0.00 0.00 37.83 32.55 2dkt s LYS 134 CO 0.35 0.48 -0.08 0.00 0.10 0.00 0.00 175.35 176.20 2dkt s ILE 136 N -2.17 5.32 0.13 0.00 2.07 -1.26 -4.75 121.20 120.54 2dkt s ILE 136 Ca -0.08 0.00 -0.07 0.00 -1.41 0.00 0.00 60.65 59.09 2dkt s ILE 136 Cb 0.02 -3.58 -0.06 0.00 0.13 0.00 0.00 42.46 38.97 2dkt s ILE 136 CO 0.11 0.27 0.41 -1.83 -1.91 0.00 0.00 174.94 171.99 2dkt s GLU 137 N -2.06 3.70 -0.28 3.50 -1.05 -1.26 -5.09 118.70 116.16 2dkt s GLU 137 Ca 0.31 0.06 -0.26 0.00 -0.15 0.00 0.00 54.97 54.94 2dkt s GLU 137 Cb -0.13 -2.87 0.16 0.00 -0.44 0.00 0.00 34.13 30.85 2dkt s GLU 137 CO 0.20 0.48 1.26 -1.54 0.95 0.00 0.00 175.26 176.61 2dkt s SER 138 N -2.18 -0.22 0.00 0.83 1.04 -1.26 -5.16 113.70 106.76 2dkt s SER 138 Ca 0.39 0.39 0.00 0.00 0.48 0.00 0.00 55.95 57.21 2dkt s SER 138 Cb -0.13 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.39 2dkt s SER 138 CO 0.22 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.96 2dkt n GLY 139 N 1.68 3.31 0.06 7.32 0.00 -1.26 -5.04 105.19 111.26 2dkt n GLY 139 Ca -0.10 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 2dkt n GLY 139 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dkt h PRO 140 N 0.00 0.02 -6.39 1.61 0.13 -2.08 -3.43 132.00 121.86 2dkt h PRO 140 Ca 0.00 -0.01 -0.54 0.00 -0.87 0.00 0.00 66.00 64.58 2dkt h PRO 140 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 2dkt h PRO 140 CO 0.00 0.50 0.98 0.45 -0.23 0.00 0.00 178.00 179.70 2dkt s SER 141 N -5.72 6.67 0.48 1.44 0.15 -1.26 -5.01 113.70 110.45 2dkt s SER 141 Ca -0.16 2.35 0.08 0.00 0.70 0.00 0.00 55.95 58.92 2dkt s SER 141 Cb 0.02 -2.56 0.02 0.00 -1.71 0.00 0.00 66.02 61.79 2dkt s SER 141 CO 0.68 -0.86 0.51 -0.55 1.20 0.00 0.00 173.24 174.22 2dkt s SER 142 N 2.49 5.09 0.00 5.45 0.15 -1.26 -5.18 113.70 120.43 2dkt s SER 142 Ca 0.72 -0.81 0.00 0.00 0.70 0.00 0.00 55.95 56.55 2dkt s SER 142 Cb -0.37 -0.19 0.00 0.00 -1.71 0.00 0.00 66.02 63.75 2dkt s SER 142 CO 0.30 -0.92 0.00 0.61 1.20 0.00 0.00 173.24 174.44