#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 5.50 0.11 1.61 1.04 -1.26 -5.13 113.70 115.57 2dkt s SER 2 Ca 0.00 -0.35 -0.00 0.00 0.48 0.00 0.00 55.95 56.08 2dkt s SER 2 Cb 0.00 -0.64 -0.04 0.00 0.10 0.00 0.00 66.02 65.44 2dkt s SER 2 CO 0.00 -0.91 0.02 -0.94 0.98 0.00 0.00 173.24 172.38 2dkt s SER 3 N -4.40 0.56 0.00 7.02 1.04 -1.26 -5.16 113.70 111.51 2dkt s SER 3 Ca 0.56 -1.14 0.00 0.00 0.48 0.00 0.00 55.95 55.86 2dkt s SER 3 Cb -0.10 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.25 2dkt s SER 3 CO 0.35 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.53 2dkt n GLY 4 N -0.06 1.62 3.63 7.32 0.00 -1.26 -5.11 105.19 111.32 2dkt n GLY 4 Ca -0.08 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 2dkt n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dkt s SER 5 N 1.48 6.60 -0.30 1.61 1.04 -1.26 -4.94 113.70 117.94 2dkt s SER 5 Ca 0.00 1.20 -0.17 0.00 0.48 0.00 0.00 55.95 57.46 2dkt s SER 5 Cb 0.00 -2.54 0.18 0.00 0.10 0.00 0.00 66.02 63.76 2dkt s SER 5 CO 0.00 -1.14 1.16 -0.55 0.98 0.00 0.00 173.24 173.69 2dkt s SER 6 N 3.06 -0.28 0.00 7.02 0.15 -1.26 -5.17 113.70 117.22 2dkt s SER 6 Ca 0.58 0.39 0.00 0.00 0.70 0.00 0.00 55.95 57.63 2dkt s SER 6 Cb -0.17 1.29 0.00 0.00 -1.71 0.00 0.00 66.02 65.43 2dkt s SER 6 CO 0.25 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.24 2dkt n GLY 7 N 4.53 -1.36 0.00 9.45 0.00 -1.26 -5.09 105.19 111.45 2dkt n GLY 7 Ca -0.09 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 2.36 0.88 3.58 -0.02 0.00 -1.26 -5.17 105.19 105.56 2dkt n GLY 8 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2dkt n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dkt s VAL 9 N 2.68 0.00 -0.24 1.61 0.11 -1.26 -5.15 120.40 118.15 2dkt s VAL 9 Ca 0.00 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.02 2dkt s VAL 9 Cb 0.00 -1.00 0.13 0.00 -1.53 0.00 0.00 36.38 33.98 2dkt s VAL 9 CO 0.00 0.00 0.35 -0.13 -3.33 0.00 0.00 175.10 171.99 2dkt s ARG 10 N -2.29 0.32 0.32 1.54 0.52 -1.26 -5.15 118.95 112.95 2dkt s ARG 10 Ca 0.07 0.46 -0.06 0.00 -0.52 0.00 0.00 55.73 55.68 2dkt s ARG 10 Cb -0.01 -0.60 0.00 0.00 0.52 0.00 0.00 34.95 34.86 2dkt s ARG 10 CO -0.05 -0.66 0.48 0.54 0.02 0.00 0.00 175.30 175.64 2dkt s ASN 11 N 2.51 0.55 -0.30 0.23 4.22 -1.26 -5.14 114.94 115.74 2dkt s ASN 11 Ca 0.12 -1.31 -0.03 0.00 -2.14 0.00 0.00 52.86 49.49 2dkt s ASN 11 Cb -0.15 0.65 0.04 0.00 1.28 0.00 0.00 41.25 43.06 2dkt s ASN 11 CO -0.16 -1.27 0.02 -0.76 -2.04 0.00 0.00 177.10 172.89 2dkt s LEU 12 N -3.16 3.86 0.59 3.54 1.02 -1.26 -5.10 118.68 118.17 2dkt s LEU 12 Ca 0.28 -1.14 -0.17 0.00 0.02 0.00 0.00 54.13 53.11 2dkt s LEU 12 Cb -0.00 -1.75 -0.04 0.00 0.02 0.00 0.00 46.19 44.42 2dkt s LEU 12 CO 0.16 -0.25 1.09 0.00 0.02 0.00 0.00 176.35 177.37 2dkt s ALA 13 N 1.31 2.67 0.30 4.21 0.00 -1.26 -5.03 121.76 123.97 2dkt s ALA 13 Ca -0.03 0.57 -0.17 0.00 0.00 0.00 0.00 51.96 52.33 2dkt s ALA 13 Cb -0.19 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.55 2dkt s ALA 13 CO -0.01 -0.87 0.75 1.14 0.00 0.00 0.00 175.76 176.78 2dkt s GLN 14 N -3.78 4.10 -0.45 0.00 0.00 -1.26 -5.03 119.66 113.24 2dkt s GLN 14 Ca 0.67 0.77 -0.24 0.00 -0.00 0.00 0.00 55.36 56.57 2dkt s GLN 14 Cb -0.19 -2.55 0.03 0.00 0.00 0.00 0.00 33.01 30.30 2dkt s GLN 14 CO 0.33 0.21 0.83 0.20 0.00 0.00 0.00 175.29 176.86 2dkt s GLY 15 N -2.08 1.56 0.81 2.60 0.00 -1.26 -5.04 107.32 103.91 2dkt s GLY 15 Ca 0.52 -0.94 -0.11 0.00 0.00 0.00 0.00 44.72 44.18 2dkt s GLY 15 CO 0.18 1.86 1.09 2.56 0.00 0.00 0.00 173.10 178.79 2dkt s PRO 16 N 3.42 1.98 -0.21 2.90 0.04 -1.26 -4.98 135.00 136.90 2dkt s PRO 16 Ca 0.32 1.08 0.17 0.00 0.04 0.00 0.00 61.00 62.60 2dkt s PRO 16 Cb -0.12 -1.87 0.46 0.00 0.04 0.00 0.00 34.50 33.02 2dkt s PRO 16 CO 0.24 -1.81 1.17 0.54 0.04 0.00 0.00 177.00 177.17 2dkt n ARG 17 N -3.62 1.91 0.00 4.56 3.00 -1.26 -4.78 116.66 116.47 2dkt n ARG 17 Ca 0.09 -3.36 0.00 0.00 -0.01 0.00 0.00 57.85 54.56 2dkt n ARG 17 Cb 0.54 -1.49 0.00 0.00 0.00 0.00 0.00 32.46 31.51 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 -0.51 2.15 3.97 -0.13 0.00 0.06 -4.30 105.19 106.44 2dkt n GLY 18 Ca 0.20 -1.28 -0.22 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.10 0.00 0.39 0.00 4.11 -2.04 -1.59 114.58 115.35 2dkt h GLU 20 Ca -0.41 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.00 2dkt h GLU 20 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 2dkt h GLU 20 CO 0.50 0.00 -0.19 0.45 0.07 0.00 0.00 179.01 179.84 2dkt h HIS 21 N 0.00 -0.49 -3.72 2.06 3.86 -2.03 -3.47 115.15 111.36 2dkt h HIS 21 Ca 0.14 -0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 59.22 2dkt h HIS 21 Cb 1.11 0.16 -0.17 0.00 1.06 0.00 0.00 27.41 29.57 2dkt h HIS 21 CO 0.00 -0.22 -0.46 0.71 0.86 0.00 0.00 177.93 178.82 2dkt s TYR 22 N -3.59 0.15 -0.80 2.45 2.02 -0.60 -5.10 117.35 111.87 2dkt s TYR 22 Ca -0.10 -0.44 -0.15 0.00 -0.37 0.00 0.00 57.07 56.01 2dkt s TYR 22 Cb 0.01 -0.09 0.18 0.00 -0.40 0.00 0.00 41.96 41.66 2dkt s TYR 22 CO 0.33 -0.41 0.80 -0.51 -1.57 0.00 0.00 175.55 174.19 2dkt s ASP 23 N -2.23 6.64 0.15 2.29 1.11 -1.26 -1.06 116.67 122.31 2dkt s ASP 23 Ca -0.03 -2.38 0.06 0.00 0.18 0.00 0.00 52.55 50.37 2dkt s ASP 23 Cb -0.00 -2.25 -0.04 0.00 1.07 0.00 0.00 42.92 41.69 2dkt s ASP 23 CO -0.05 -0.74 -0.12 0.00 1.18 0.00 0.00 175.17 175.44 2dkt s ARG 24 N 0.98 1.10 -0.28 8.23 1.70 -1.26 -3.09 118.95 126.33 2dkt s ARG 24 Ca 0.19 -1.40 0.08 0.00 -0.47 0.00 0.00 55.73 54.13 2dkt s ARG 24 Cb -0.12 -0.83 0.46 0.00 -0.57 0.00 0.00 34.95 33.88 2dkt s ARG 24 CO -0.07 0.13 1.31 0.00 -1.08 0.00 0.00 175.30 175.60 2dkt n ALA 25 N 0.03 4.42 -3.64 7.88 0.00 -1.25 -0.76 120.51 127.20 2dkt n ALA 25 Ca -0.12 -3.45 -0.09 0.00 0.00 0.00 0.00 53.44 49.78 2dkt n ALA 25 Cb 0.59 -0.50 -0.09 0.00 0.00 0.00 0.00 19.45 19.45 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 1.36 4.50 -0.27 0.00 1.02 1.00 -4.82 118.68 121.46 2dkt s LEU 27 Ca -0.08 1.56 -0.19 0.00 0.02 0.00 0.00 54.13 55.44 2dkt s LEU 27 Cb -0.06 -3.39 -0.02 0.00 0.02 0.00 0.00 46.19 42.73 2dkt s LEU 27 CO -0.14 0.15 0.56 -1.48 0.02 0.00 0.00 176.35 175.46 2dkt s LEU 28 N -1.44 4.09 0.45 1.79 0.05 -1.19 -1.09 118.68 121.34 2dkt s LEU 28 Ca 0.38 0.51 -0.24 0.00 0.05 0.00 0.00 54.13 54.83 2dkt s LEU 28 Cb -0.21 -2.73 -0.09 0.00 -2.05 0.00 0.00 46.19 41.11 2dkt s LEU 28 CO 0.24 -0.36 1.15 1.17 -0.55 0.00 0.00 176.35 178.00 2dkt n LYS 29 N 5.66 1.60 -3.57 1.48 3.00 -1.26 -3.84 118.16 121.23 2dkt n LYS 29 Ca -0.03 0.57 -0.41 0.00 -0.00 0.00 0.00 58.31 58.45 2dkt n LYS 29 Cb 0.49 -2.25 -0.09 0.00 0.00 0.00 0.00 35.03 33.19 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 -1.26 3.40 -2.00 3.14 0.00 0.30 -4.79 121.76 120.55 2dkt s ALA 30 Ca 0.64 -2.58 0.10 0.00 0.00 0.00 0.00 51.96 50.12 2dkt s ALA 30 Cb -0.51 -2.81 0.58 0.00 0.00 0.00 0.00 23.12 20.38 2dkt s ALA 30 CO 0.56 -1.91 1.02 -0.35 0.00 0.00 0.00 175.76 175.07 2dkt n PRO 31 N 4.82 0.49 -0.05 0.00 -0.04 -1.26 0.18 135.00 139.13 2dkt n PRO 31 Ca -0.07 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.19 2dkt n PRO 31 Cb 0.41 -1.31 -0.13 0.00 -0.04 0.00 0.00 33.50 32.42 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 -0.17 -5.52 -4.85 0.00 2.03 0.46 -4.99 116.55 103.50 2dkt n ASP 34 Ca 0.00 -0.07 -0.22 0.00 0.52 0.00 0.00 54.79 55.02 2dkt n ASP 34 Cb 0.27 -4.53 -0.04 0.00 -0.72 0.00 0.00 41.12 36.11 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 -5.08 2.45 -0.09 -0.67 1.02 -1.12 -4.82 119.74 111.43 2dkt s LYS 35 Ca 0.05 -1.64 0.01 0.00 0.02 0.00 0.00 55.97 54.42 2dkt s LYS 35 Cb -0.02 -2.28 0.02 0.00 -0.52 0.00 0.00 37.83 35.03 2dkt s LYS 35 CO 0.07 -0.21 -0.10 -0.51 -0.92 0.00 0.00 175.35 173.68 2dkt s LEU 36 N -4.10 1.40 0.04 3.17 1.43 -1.26 0.11 118.68 119.47 2dkt s LEU 36 Ca 0.46 -0.31 0.04 0.00 -1.03 0.00 0.00 54.13 53.30 2dkt s LEU 36 Cb -0.02 -0.84 -0.02 0.00 0.03 0.00 0.00 46.19 45.34 2dkt s LEU 36 CO 0.26 -0.05 -0.13 -0.31 0.23 0.00 0.00 176.35 176.36 2dkt s TYR 37 N 1.25 1.10 0.05 0.29 1.51 -1.25 -5.00 117.35 115.31 2dkt s TYR 37 Ca -0.04 -0.36 -0.10 0.00 -1.01 0.00 0.00 57.07 55.57 2dkt s TYR 37 Cb -0.14 -0.65 -0.02 0.00 -0.11 0.00 0.00 41.96 41.03 2dkt s TYR 37 CO -0.03 0.02 0.75 2.41 -1.11 0.00 0.00 175.55 177.58 2dkt n THR 38 N 1.89 -0.22 -4.29 -0.71 -1.04 -1.26 -3.15 114.28 105.49 2dkt n THR 38 Ca -0.18 1.15 -0.16 0.00 -2.04 0.00 0.00 64.05 62.82 2dkt n THR 38 Cb 0.55 -1.46 -0.05 0.00 -1.82 0.00 0.00 70.33 67.55 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 0.63 0.00 0.00 -0.00 -1.94 -2.87 114.38 110.20 2dkt h ARG 40 Ca -0.20 -0.38 -0.04 0.00 -0.00 0.00 0.00 59.98 59.36 2dkt h ARG 40 Cb 0.84 0.04 -0.01 0.00 -0.00 0.00 0.00 29.97 30.85 2dkt h ARG 40 CO 0.31 1.00 -0.17 -0.07 -0.00 0.00 0.00 179.97 181.04 2dkt h LEU 41 N 0.49 0.00 -0.01 0.08 3.38 -1.97 -3.07 115.31 114.21 2dkt h LEU 41 Ca 0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 2dkt h LEU 41 Cb 1.08 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.83 2dkt h LEU 41 CO 0.10 0.17 -0.28 0.00 0.09 0.00 0.00 178.44 178.53 2dkt h HIS 43 N -0.41 -0.98 -0.91 0.00 -0.00 -1.41 0.07 115.15 111.51 2dkt h HIS 43 Ca -0.03 0.04 0.17 0.00 -0.00 0.00 0.00 60.37 60.55 2dkt h HIS 43 Cb 1.00 0.45 -0.10 0.00 -0.00 0.00 0.00 27.41 28.76 2dkt h HIS 43 CO 0.17 -0.32 0.49 0.22 -0.00 0.00 0.00 177.93 178.49 2dkt h ASP 44 N -0.31 0.59 -0.89 3.26 1.82 -1.70 0.20 116.42 119.39 2dkt h ASP 44 Ca 0.03 0.10 0.06 0.00 -0.39 0.00 0.00 57.03 56.83 2dkt h ASP 44 Cb 0.39 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.35 2dkt h ASP 44 CO -0.29 0.22 0.58 0.74 -1.61 0.00 0.00 179.24 178.88 2dkt h THR 45 N 0.65 1.06 -0.54 2.25 2.02 -1.04 -1.49 112.91 115.81 2dkt h THR 45 Ca 0.51 -0.35 -0.22 0.00 0.77 0.00 0.00 66.41 67.13 2dkt h THR 45 Cb 0.77 -0.03 -0.13 0.00 -1.74 0.00 0.00 68.15 67.02 2dkt h THR 45 CO -0.39 0.18 0.16 0.59 0.37 0.00 0.00 175.52 176.43 2dkt n ASN 46 N -4.49 3.51 -3.83 4.18 3.02 0.21 -4.97 115.26 112.91 2dkt n ASN 46 Ca 0.13 -3.48 -0.11 0.00 -0.03 0.00 0.00 54.58 51.10 2dkt n ASN 46 Cb 0.20 -0.68 -0.08 0.00 -0.61 0.00 0.00 39.78 38.60 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 -3.12 0.68 0.36 3.52 0.41 0.46 -5.00 118.70 116.01 2dkt s GLU 47 Ca 0.49 -0.53 0.24 0.00 -0.41 0.00 0.00 54.97 54.76 2dkt s GLU 47 Cb 0.42 0.28 0.46 0.00 -1.78 0.00 0.00 34.13 33.51 2dkt s GLU 47 CO 0.07 -0.19 1.63 -0.44 -0.49 0.00 0.00 175.26 175.84 2dkt h ASP 48 N 3.59 0.00 -1.96 -0.19 3.32 -1.87 -3.43 116.42 115.87 2dkt h ASP 48 Ca -0.32 -0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.18 2dkt h ASP 48 Cb 1.19 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.66 2dkt h ASP 48 CO 0.46 0.00 -0.58 -1.38 -1.72 0.00 0.00 179.24 176.02 2dkt s HIS 49 N -3.18 2.68 -0.01 4.55 -3.43 -1.26 -5.13 115.29 109.51 2dkt s HIS 49 Ca 0.08 -0.35 -0.08 0.00 -0.80 0.00 0.00 55.06 53.91 2dkt s HIS 49 Cb 0.07 -1.51 -0.05 0.00 -1.43 0.00 0.00 32.58 29.67 2dkt s HIS 49 CO 0.65 0.43 0.27 -0.65 -2.00 0.00 0.00 174.74 173.45 2dkt s GLN 50 N -3.78 3.61 0.10 -0.38 1.11 -1.26 -4.30 119.66 114.75 2dkt s GLN 50 Ca 0.36 -0.01 0.04 0.00 0.01 0.00 0.00 55.36 55.75 2dkt s GLN 50 Cb -0.03 -3.10 -0.04 0.00 -1.01 0.00 0.00 33.01 28.83 2dkt s GLN 50 CO 0.21 0.67 0.08 -1.17 0.01 0.00 0.00 175.29 175.09 2dkt s LEU 51 N -1.59 3.75 0.19 2.90 0.20 -1.26 -5.02 118.68 117.85 2dkt s LEU 51 Ca 0.26 -0.06 -0.15 0.00 0.69 0.00 0.00 54.13 54.87 2dkt s LEU 51 Cb -0.13 -2.43 -0.07 0.00 -0.43 0.00 0.00 46.19 43.12 2dkt s LEU 51 CO 0.14 0.15 0.61 -1.81 -0.29 0.00 0.00 176.35 175.15 2dkt s ASP 52 N -2.52 6.85 -0.01 3.68 1.11 -1.26 -4.98 116.67 119.54 2dkt s ASP 52 Ca 0.29 1.16 0.21 0.00 0.18 0.00 0.00 52.55 54.39 2dkt s ASP 52 Cb -0.12 -2.32 -0.24 0.00 1.07 0.00 0.00 42.92 41.31 2dkt s ASP 52 CO 0.22 0.03 0.79 -2.11 1.18 0.00 0.00 175.17 175.28 2dkt n ARG 53 N 0.54 0.21 -0.12 8.23 1.85 -1.26 -4.34 116.66 121.77 2dkt n ARG 53 Ca -0.03 -0.06 -0.19 0.00 -1.00 0.00 0.00 57.85 56.58 2dkt n ARG 53 Cb 0.52 -1.51 -0.12 0.00 -1.05 0.00 0.00 32.46 30.30 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 -1.75 0.08 0.06 2.89 3.72 -1.26 -4.52 117.46 116.68 2dkt n PHE 54 Ca 0.02 0.02 -0.13 0.00 -0.05 0.00 0.00 57.45 57.30 2dkt n PHE 54 Cb 0.41 -1.01 -0.08 0.00 -0.94 0.00 0.00 39.48 37.85 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 -0.02 -0.56 -6.77 -1.08 1.79 -1.95 -3.42 116.57 104.55 2dkt h LYS 55 Ca -0.57 0.04 -0.57 0.00 -2.18 0.00 0.00 60.65 57.37 2dkt h LYS 55 Cb 1.90 0.13 0.13 0.00 -1.58 0.00 0.00 32.23 32.81 2dkt h LYS 55 CO -0.09 -0.38 0.38 1.55 -1.08 0.00 0.00 179.45 179.83 2dkt n VAL 56 N -4.99 2.60 0.00 0.50 3.14 -1.26 -4.92 118.33 113.40 2dkt n VAL 56 Ca -0.06 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.82 2dkt n VAL 56 Cb 0.34 -1.42 0.00 0.00 -1.06 0.00 0.00 33.84 31.69 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 0.01 0.17 -1.53 1.45 0.00 -1.26 -4.97 118.16 112.03 2dkt n LYS 57 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 58.31 58.10 2dkt n LYS 57 Cb 0.40 -0.78 0.14 0.00 0.00 0.00 0.00 35.03 34.79 2dkt n LYS 57 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2dkt s GLU 58 N -1.56 1.05 -0.03 1.64 0.41 -1.26 -2.18 118.70 116.77 2dkt s GLU 58 Ca 0.00 0.26 -0.26 0.00 -0.41 0.00 0.00 54.97 54.56 2dkt s GLU 58 Cb 0.00 -1.83 0.06 0.00 -1.78 0.00 0.00 34.13 30.58 2dkt s GLU 58 CO 0.00 -2.26 0.58 0.14 -0.49 0.00 0.00 175.26 173.23 2dkt s VAL 59 N -3.29 0.02 -0.01 2.63 -7.23 -1.03 -4.11 120.40 107.38 2dkt s VAL 59 Ca 0.64 -0.14 0.06 0.00 -1.81 0.00 0.00 61.98 60.74 2dkt s VAL 59 Cb -0.14 -0.91 -0.03 0.00 0.56 0.00 0.00 36.38 35.86 2dkt s VAL 59 CO 0.53 -0.08 -0.18 -1.58 -0.31 0.00 0.00 175.10 173.49 2dkt s GLN 60 N -1.43 2.25 0.45 4.82 0.74 -0.25 -2.77 119.66 123.46 2dkt s GLN 60 Ca -0.11 -0.86 -0.20 0.00 0.05 0.00 0.00 55.36 54.25 2dkt s GLN 60 Cb -0.01 -2.23 -0.10 0.00 1.10 0.00 0.00 33.01 31.76 2dkt s GLN 60 CO 0.07 0.58 0.96 0.00 -0.55 0.00 0.00 175.29 176.35 2dkt n ILE 62 N -0.85 0.00 -0.12 0.00 -6.64 -0.52 -2.92 119.36 108.32 2dkt n ILE 62 Ca 0.07 -0.21 -0.25 0.00 -1.77 0.00 0.00 62.75 60.59 2dkt n ILE 62 Cb 0.54 1.11 -0.11 0.00 -1.44 0.00 0.00 39.64 39.74 2dkt n ILE 62 CO 0.00 0.00 0.00 0.59 -1.77 0.00 0.00 176.55 175.37 2dkt n ASN 63 N -0.70 1.91 -0.34 7.28 3.02 -1.26 -4.56 115.26 120.60 2dkt n ASN 63 Ca 0.06 0.38 0.09 0.00 -0.03 0.00 0.00 54.58 55.07 2dkt n ASN 63 Cb 0.33 -0.90 0.17 0.00 -0.61 0.00 0.00 39.78 38.78 2dkt n ASN 63 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dkt n GLU 65 N -1.21 -0.96 -4.13 0.00 -0.58 -1.15 -4.85 120.64 107.75 2dkt n GLU 65 Ca 0.18 0.02 -0.33 0.00 -0.42 0.00 0.00 57.16 56.61 2dkt n GLU 65 Cb 0.71 -1.42 -0.07 0.00 -0.57 0.00 0.00 31.44 30.09 2dkt n GLU 65 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2dkt s LYS 66 N -4.85 3.05 0.49 3.49 2.47 -1.26 -4.84 119.74 118.29 2dkt s LYS 66 Ca 0.01 -0.47 -0.19 0.00 -1.56 0.00 0.00 55.97 53.76 2dkt s LYS 66 Cb -0.01 -2.85 -0.09 0.00 -1.46 0.00 0.00 37.83 33.43 2dkt s LYS 66 CO 0.41 0.66 0.99 -1.17 0.16 0.00 0.00 175.35 176.40 2dkt s LEU 67 N -1.59 3.77 0.08 5.43 2.96 -1.26 -2.17 118.68 125.90 2dkt s LEU 67 Ca 0.21 1.71 -0.25 0.00 -0.22 0.00 0.00 54.13 55.58 2dkt s LEU 67 Cb -0.12 -4.53 0.09 0.00 0.50 0.00 0.00 46.19 42.12 2dkt s LEU 67 CO 0.12 -0.60 1.18 0.00 -1.32 0.00 0.00 176.35 175.72 2dkt s GLN 68 N -3.57 0.81 0.37 1.98 -2.07 -1.12 -4.93 119.66 111.14 2dkt s GLN 68 Ca 0.62 -0.53 0.08 0.00 -1.82 0.00 0.00 55.36 53.71 2dkt s GLN 68 Cb -0.11 0.22 -0.04 0.00 -1.09 0.00 0.00 33.01 31.99 2dkt s GLN 68 CO 0.23 -0.38 0.22 -3.38 -1.32 0.00 0.00 175.29 170.65 2dkt s HIS 69 N -2.04 2.70 -0.47 9.60 -3.43 -1.26 -2.47 115.29 117.92 2dkt s HIS 69 Ca 0.27 -0.45 -0.45 0.00 -0.80 0.00 0.00 55.06 53.63 2dkt s HIS 69 Cb -0.02 -1.85 -0.19 0.00 -1.43 0.00 0.00 32.58 29.10 2dkt s HIS 69 CO 0.02 0.19 1.76 0.00 -2.00 0.00 0.00 174.74 174.71 2dkt n ALA 70 N -1.28 -0.78 -3.59 -1.38 0.00 -0.92 -4.68 120.51 107.88 2dkt n ALA 70 Ca -0.01 0.40 -0.01 0.00 0.00 0.00 0.00 53.44 53.82 2dkt n ALA 70 Cb 0.62 -2.02 0.02 0.00 0.00 0.00 0.00 19.45 18.07 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 5.09 0.82 -0.07 0.00 10.64 -1.26 -5.06 117.38 127.54 2dkt n GLN 71 Ca 0.36 -1.66 -0.06 0.00 -1.83 0.00 0.00 57.00 53.81 2dkt n GLN 71 Cb -0.02 2.05 -0.12 0.00 -0.86 0.00 0.00 30.24 31.29 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 -0.40 1.42 -4.26 2.61 7.27 -1.26 -4.95 117.38 117.82 2dkt n GLN 72 Ca -0.06 -0.02 -0.20 0.00 0.07 0.00 0.00 57.00 56.79 2dkt n GLN 72 Cb 0.44 -1.39 -0.12 0.00 2.41 0.00 0.00 30.24 31.57 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 -2.44 1.22 0.60 1.69 2.01 -1.26 -0.49 115.64 116.97 2dkt s THR 73 Ca -0.07 -1.24 -0.19 0.00 0.31 0.00 0.00 61.69 60.50 2dkt s THR 73 Cb 0.05 -1.13 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 2dkt s THR 73 CO 0.63 -0.12 1.22 0.00 -0.69 0.00 0.00 174.62 175.65 2dkt n GLU 75 N -1.65 4.48 0.00 0.00 -0.00 -1.26 -2.68 120.64 119.52 2dkt n GLU 75 Ca 0.14 -3.08 0.00 0.00 -0.00 0.00 0.00 57.16 54.22 2dkt n GLU 75 Cb 0.49 -2.15 0.00 0.00 -0.00 0.00 0.00 31.44 29.78 2dkt n GLU 75 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2dkt n ASP 76 N 0.55 1.28 -0.00 -1.84 -0.08 -1.26 -4.89 116.55 110.32 2dkt n ASP 76 Ca 0.27 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.56 2dkt n ASP 76 Cb 1.11 0.01 -0.02 0.00 2.34 0.00 0.00 41.12 44.57 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 -1.37 -3.46 -4.56 0.00 2.88 -1.09 -4.96 113.62 101.05 2dkt n SER 78 Ca -0.00 -0.44 -0.41 0.00 -1.33 0.00 0.00 58.87 56.69 2dkt n SER 78 Cb 0.05 -3.96 -0.08 0.00 -0.75 0.00 0.00 64.21 59.46 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 -3.26 5.09 -0.37 2.46 2.01 -1.26 -4.69 115.64 115.62 2dkt s THR 79 Ca 0.19 0.28 -0.33 0.00 0.31 0.00 0.00 61.69 62.14 2dkt s THR 79 Cb -0.09 -3.88 -0.10 0.00 0.01 0.00 0.00 72.50 68.44 2dkt s THR 79 CO 0.55 -0.12 2.25 -0.11 -0.69 0.00 0.00 174.62 176.50 2dkt n LEU 80 N 5.56 2.26 0.00 4.42 7.94 -1.26 -3.06 117.00 132.85 2dkt n LEU 80 Ca -0.07 0.26 0.04 0.00 -1.11 0.00 0.00 56.01 55.14 2dkt n LEU 80 Cb 0.49 -1.33 0.26 0.00 0.53 0.00 0.00 43.42 43.37 2dkt n LEU 80 CO 0.42 -0.81 0.58 0.49 -1.11 0.00 0.00 177.39 176.96 2dkt n PHE 81 N 10.88 0.00 0.00 1.96 3.72 0.36 -4.66 117.46 129.72 2dkt n PHE 81 Ca 0.40 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.80 2dkt n PHE 81 Cb 0.29 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.83 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 0.38 3.96 0.32 1.37 0.00 -1.26 -3.82 105.19 106.13 2dkt n GLY 82 Ca 0.07 -0.55 0.17 0.00 0.00 0.00 0.00 46.02 45.71 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 0.18 -5.82 1.61 5.08 -1.88 -3.38 114.58 110.37 2dkt h GLU 83 Ca 0.00 -0.01 -0.67 0.00 -1.00 0.00 0.00 59.36 57.68 2dkt h GLU 83 Cb 0.00 -0.04 -0.16 0.00 0.50 0.00 0.00 28.75 29.05 2dkt h GLU 83 CO 0.00 0.12 -0.62 -0.47 -1.00 0.00 0.00 179.01 177.04 2dkt s TYR 84 N -5.86 3.17 -0.05 4.33 5.04 -1.04 -5.02 117.35 117.92 2dkt s TYR 84 Ca -0.12 0.14 -0.01 0.00 -2.44 0.00 0.00 57.07 54.64 2dkt s TYR 84 Cb 0.28 -1.84 0.03 0.00 0.35 0.00 0.00 41.96 40.78 2dkt s TYR 84 CO 0.78 0.39 0.03 1.52 -1.34 0.00 0.00 175.55 176.93 2dkt s TYR 85 N -0.63 0.28 0.02 4.97 1.13 -1.26 -2.57 117.35 119.28 2dkt s TYR 85 Ca 0.10 0.09 -0.14 0.00 -1.41 0.00 0.00 57.07 55.71 2dkt s TYR 85 Cb -0.12 -0.55 -0.06 0.00 -1.10 0.00 0.00 41.96 40.13 2dkt s TYR 85 CO 0.02 -0.22 0.40 0.00 -2.51 0.00 0.00 175.55 173.25 2dkt n SER 87 N 1.62 0.53 0.02 0.00 3.41 -1.26 -2.30 113.62 115.64 2dkt n SER 87 Ca -0.13 0.25 -0.08 0.00 -0.26 0.00 0.00 58.87 58.65 2dkt n SER 87 Cb 0.52 0.41 -0.06 0.00 -0.26 0.00 0.00 64.21 64.82 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 0.69 0.00 -1.33 2.04 -1.96 -3.34 117.51 113.62 2dkt h ILE 88 Ca -0.36 -1.27 -0.00 0.00 1.00 0.00 0.00 64.86 64.23 2dkt h ILE 88 Cb 2.03 1.24 -0.00 0.00 -0.74 0.00 0.00 36.82 39.35 2dkt h ILE 88 CO 0.06 0.21 -0.33 0.00 0.00 0.00 0.00 178.15 178.09 2dkt n HIS 90 N -2.96 -2.32 -4.22 0.00 8.25 -0.97 -4.45 115.22 108.54 2dkt n HIS 90 Ca 0.03 0.84 -0.27 0.00 -0.26 0.00 0.00 57.72 58.06 2dkt n HIS 90 Cb 0.54 -4.44 -0.08 0.00 1.12 0.00 0.00 29.99 27.13 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 -6.19 3.26 -0.16 2.41 0.20 -1.22 -4.91 118.68 112.07 2dkt s LEU 91 Ca 0.40 -0.42 -0.02 0.00 0.69 0.00 0.00 54.13 54.78 2dkt s LEU 91 Cb -0.18 -1.92 0.05 0.00 -0.43 0.00 0.00 46.19 43.71 2dkt s LEU 91 CO 0.61 0.09 0.00 -0.36 -0.29 0.00 0.00 176.35 176.41 2dkt s PHE 92 N -1.71 1.14 0.02 5.38 0.08 -1.26 -1.17 117.98 120.46 2dkt s PHE 92 Ca 0.27 -0.77 0.04 0.00 0.12 0.00 0.00 56.93 56.59 2dkt s PHE 92 Cb -0.09 -1.06 -0.02 0.00 -0.57 0.00 0.00 43.02 41.28 2dkt s PHE 92 CO 0.18 -0.55 -0.12 0.34 -0.10 0.00 0.00 175.22 174.97 2dkt s ASP 93 N 1.82 1.41 1.31 1.36 2.15 -1.06 -4.00 116.67 119.65 2dkt s ASP 93 Ca 0.01 -0.38 -0.21 0.00 0.43 0.00 0.00 52.55 52.40 2dkt s ASP 93 Cb -0.16 -0.10 0.33 0.00 -0.30 0.00 0.00 42.92 42.69 2dkt s ASP 93 CO -0.07 0.04 1.04 -1.59 -0.17 0.00 0.00 175.17 174.41 2dkt s LYS 94 N -0.89 -2.07 -0.74 4.34 -2.85 -1.18 -2.49 119.74 113.86 2dkt s LYS 94 Ca 0.01 -0.02 -0.26 0.00 -1.00 0.00 0.00 55.97 54.70 2dkt s LYS 94 Cb -0.07 -1.49 -0.08 0.00 -2.06 0.00 0.00 37.83 34.13 2dkt s LYS 94 CO 0.01 -4.28 2.19 0.34 0.10 0.00 0.00 175.35 173.71 2dkt s ASP 95 N -3.62 4.56 -0.25 0.03 2.15 -1.26 -4.69 116.67 113.60 2dkt s ASP 95 Ca 0.70 0.09 0.19 0.00 0.43 0.00 0.00 52.55 53.97 2dkt s ASP 95 Cb -0.10 -2.54 0.49 0.00 -0.30 0.00 0.00 42.92 40.47 2dkt s ASP 95 CO 0.57 -3.14 1.14 0.29 -0.17 0.00 0.00 175.17 173.86 2dkt n LYS 96 N 8.93 2.02 -4.05 4.34 5.02 -1.26 -4.98 118.16 128.18 2dkt n LYS 96 Ca 0.39 -3.54 -0.28 0.00 -2.02 0.00 0.00 58.31 52.85 2dkt n LYS 96 Cb 0.48 -1.64 -0.03 0.00 -0.02 0.00 0.00 35.03 33.82 2dkt n LYS 96 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2dkt n ARG 97 N -0.56 -3.03 -3.98 1.97 3.00 -1.26 -4.77 116.66 108.03 2dkt n ARG 97 Ca 0.16 0.37 -0.35 0.00 -0.00 0.00 0.00 57.85 58.02 2dkt n ARG 97 Cb 0.86 -4.56 -0.13 0.00 0.00 0.00 0.00 32.46 28.63 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 -6.73 3.52 0.49 -0.14 0.74 -1.26 0.03 119.66 116.31 2dkt s GLN 98 Ca 0.17 -0.56 0.04 0.00 0.05 0.00 0.00 55.36 55.05 2dkt s GLN 98 Cb -0.09 -3.07 0.04 0.00 1.10 0.00 0.00 33.01 30.98 2dkt s GLN 98 CO 0.91 -0.10 0.29 2.48 -0.55 0.00 0.00 175.29 178.32 2dkt n TYR 99 N 4.56 -0.29 -4.46 1.67 0.18 0.45 -4.90 117.16 114.37 2dkt n TYR 99 Ca -0.17 -2.16 -0.21 0.00 1.88 0.00 0.00 57.90 57.24 2dkt n TYR 99 Cb 0.51 -0.39 -0.14 0.00 -0.38 0.00 0.00 39.34 38.95 2dkt n TYR 99 CO 0.00 0.00 0.00 -1.58 -2.08 0.00 0.00 176.86 173.20 2dkt s HIS 100 N -2.53 1.23 -0.18 -3.48 5.65 -1.26 -0.67 115.29 114.05 2dkt s HIS 100 Ca 0.22 -0.30 -0.02 0.00 0.25 0.00 0.00 55.06 55.21 2dkt s HIS 100 Cb -0.02 -0.75 -0.01 0.00 -1.18 0.00 0.00 32.58 30.62 2dkt s HIS 100 CO 0.14 0.01 -0.10 0.00 -0.65 0.00 0.00 174.74 174.14 2dkt h GLU 102 N 7.47 0.40 -0.82 0.00 5.08 -1.95 0.80 114.58 125.56 2dkt h GLU 102 Ca -0.35 -0.23 0.20 0.00 -1.00 0.00 0.00 59.36 57.98 2dkt h GLU 102 Cb 1.18 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.40 2dkt h GLU 102 CO 0.59 0.80 0.56 0.77 -1.00 0.00 0.00 179.01 180.73 2dkt h SER 103 N 0.02 0.25 -0.11 1.42 0.02 -1.95 0.36 113.55 113.55 2dkt h SER 103 Ca 0.02 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2dkt h SER 103 Cb 0.75 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.27 2dkt h SER 103 CO 0.05 0.11 0.00 0.00 -1.14 0.00 0.00 176.83 175.84 2dkt n GLY 105 N 1.12 -0.13 3.34 0.00 0.00 0.12 -4.85 105.19 104.79 2dkt n GLY 105 Ca 0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.80 0.51 0.04 -0.61 -5.25 -0.93 -4.69 121.20 108.46 2dkt s ILE 106 Ca 0.00 -2.00 0.00 0.00 -0.99 0.00 0.00 60.65 57.66 2dkt s ILE 106 Cb 0.00 -2.59 -0.04 0.00 2.95 0.00 0.00 42.46 42.78 2dkt s ILE 106 CO 0.00 0.00 0.15 0.00 -1.79 0.00 0.00 174.94 173.30 2dkt s ARG 108 N -2.24 1.29 -0.06 0.00 0.52 0.15 -4.93 118.95 113.68 2dkt s ARG 108 Ca 0.30 -1.34 -0.14 0.00 -0.52 0.00 0.00 55.73 54.03 2dkt s ARG 108 Cb -0.13 0.37 -0.05 0.00 0.52 0.00 0.00 34.95 35.67 2dkt s ARG 108 CO 0.22 -0.48 0.35 0.42 0.02 0.00 0.00 175.30 175.84 2dkt s ILE 109 N -4.04 5.17 0.00 1.52 -1.09 -1.26 -0.41 121.20 121.09 2dkt s ILE 109 Ca 0.25 0.70 0.00 0.00 -2.23 0.00 0.00 60.65 59.37 2dkt s ILE 109 Cb 0.03 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.25 2dkt s ILE 109 CO 0.06 0.51 0.00 0.61 -1.23 0.00 0.00 174.94 174.90 2dkt n GLY 110 N 2.35 1.27 3.66 6.18 0.00 0.11 -4.77 105.19 113.98 2dkt n GLY 110 Ca -0.14 -1.43 -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 2.04 4.21 0.37 1.61 0.04 -1.26 -5.00 135.00 137.00 2dkt s PRO 111 Ca 0.00 2.01 0.27 0.00 0.04 0.00 0.00 61.00 63.33 2dkt s PRO 111 Cb 0.00 -3.86 1.25 0.00 0.04 0.00 0.00 34.50 31.93 2dkt s PRO 111 CO 0.00 -0.77 1.31 1.17 0.04 0.00 0.00 177.00 178.75 2dkt n LYS 112 N 6.73 -0.03 -0.09 4.56 3.00 -1.26 0.46 118.16 131.54 2dkt n LYS 112 Ca 0.16 1.05 -0.09 0.00 -0.00 0.00 0.00 58.31 59.43 2dkt n LYS 112 Cb 0.43 -2.08 -0.03 0.00 0.00 0.00 0.00 35.03 33.36 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 -0.29 -1.53 1.64 5.08 -2.00 0.91 114.58 118.40 2dkt h GLU 113 Ca 0.74 0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 58.94 2dkt h GLU 113 Cb 2.38 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 31.61 2dkt h GLU 113 CO -0.39 -0.19 0.24 -0.25 -1.00 0.00 0.00 179.01 177.41 2dkt n ASP 114 N -5.42 5.29 -3.79 1.42 9.92 0.17 -4.83 116.55 119.32 2dkt n ASP 114 Ca -0.00 -2.72 -0.09 0.00 -0.53 0.00 0.00 54.79 51.45 2dkt n ASP 114 Cb 0.34 -0.96 -0.03 0.00 -0.64 0.00 0.00 41.12 39.83 2dkt n ASP 114 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2dkt s PHE 115 N -1.06 -0.11 0.37 1.24 0.40 0.31 -3.05 117.98 116.08 2dkt s PHE 115 Ca 0.18 -0.26 -0.15 0.00 -0.60 0.00 0.00 56.93 56.10 2dkt s PHE 115 Cb 0.14 0.50 0.04 0.00 0.51 0.00 0.00 43.02 44.21 2dkt s PHE 115 CO 0.01 -1.04 0.74 -0.59 0.70 0.00 0.00 175.22 175.03 2dkt s PHE 116 N -3.90 0.19 -0.10 0.36 -0.12 0.30 -4.69 117.98 110.02 2dkt s PHE 116 Ca 0.11 -0.79 -0.00 0.00 -0.05 0.00 0.00 56.93 56.20 2dkt s PHE 116 Cb -0.03 0.71 0.02 0.00 -0.63 0.00 0.00 43.02 43.09 2dkt s PHE 116 CO 0.02 -1.47 -0.08 -1.58 -0.05 0.00 0.00 175.22 172.06 2dkt s HIS 117 N -2.62 1.39 0.09 3.49 5.65 -1.26 -0.54 115.29 121.48 2dkt s HIS 117 Ca 0.17 -0.64 -0.16 0.00 0.25 0.00 0.00 55.06 54.67 2dkt s HIS 117 Cb -0.05 -1.15 -0.07 0.00 -1.18 0.00 0.00 32.58 30.14 2dkt s HIS 117 CO 0.12 -0.45 0.53 0.00 -0.65 0.00 0.00 174.74 174.28 2dkt h LEU 119 N 4.19 -0.01 -0.89 0.00 3.38 -1.97 -1.38 115.31 118.64 2dkt h LEU 119 Ca -0.50 0.00 0.21 0.00 0.09 0.00 0.00 57.88 57.69 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 0.64 0.02 -0.10 0.29 0.09 0.00 0.00 178.44 179.38 2dkt n LYS 120 N -2.16 -0.08 -0.08 1.13 4.76 -1.26 0.15 118.16 120.63 2dkt n LYS 120 Ca -0.00 1.36 -0.13 0.00 -2.87 0.00 0.00 58.31 56.67 2dkt n LYS 120 Cb 0.00 -2.10 -0.01 0.00 -1.84 0.00 0.00 35.03 31.08 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 -4.02 -2.85 -3.72 0.00 2.85 0.40 -5.04 115.26 102.89 2dkt n ASN 122 Ca -0.03 -0.26 -0.08 0.00 -0.11 0.00 0.00 54.58 54.10 2dkt n ASN 122 Cb 0.59 -2.53 -0.02 0.00 1.24 0.00 0.00 39.78 39.06 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 -3.87 -0.33 -0.05 1.20 0.05 -1.14 -4.95 118.68 109.59 2dkt s LEU 123 Ca 0.11 -0.40 -0.20 0.00 0.05 0.00 0.00 54.13 53.69 2dkt s LEU 123 Cb -0.05 2.56 -0.05 0.00 -2.05 0.00 0.00 46.19 46.61 2dkt s LEU 123 CO 0.32 -1.14 0.59 0.00 -0.55 0.00 0.00 176.35 175.57 2dkt s LEU 125 N 0.28 2.47 0.20 0.00 1.43 0.30 -4.98 118.68 118.38 2dkt s LEU 125 Ca 0.31 -1.04 -0.25 0.00 -1.03 0.00 0.00 54.13 52.13 2dkt s LEU 125 Cb -0.17 -0.25 -0.08 0.00 0.03 0.00 0.00 46.19 45.71 2dkt s LEU 125 CO 0.15 -0.39 0.80 0.28 0.23 0.00 0.00 176.35 177.42 2dkt s THR 126 N -3.43 4.36 0.42 5.49 -1.32 -1.26 -0.54 115.64 119.37 2dkt s THR 126 Ca 0.17 1.67 0.26 0.00 -1.21 0.00 0.00 61.69 62.58 2dkt s THR 126 Cb 0.04 -4.09 0.45 0.00 -1.51 0.00 0.00 72.50 67.39 2dkt s THR 126 CO 0.00 0.43 1.65 0.71 -2.21 0.00 0.00 174.62 175.20 2dkt h THR 127 N 3.13 0.21 -0.95 5.08 1.35 -1.81 0.54 112.91 120.45 2dkt h THR 127 Ca -0.47 -0.05 0.20 0.00 -0.55 0.00 0.00 66.41 65.53 2dkt h THR 127 Cb 1.20 0.04 -0.11 0.00 -1.73 0.00 0.00 68.15 67.55 2dkt h THR 127 CO 0.66 0.03 0.53 -1.13 -0.25 0.00 0.00 175.52 175.35 2dkt h ASN 128 N 0.16 0.62 -0.51 5.36 -1.24 -1.92 0.51 115.58 118.56 2dkt h ASN 128 Ca 0.77 0.11 -0.21 0.00 0.71 0.00 0.00 56.30 57.69 2dkt h ASN 128 Cb 2.30 0.02 -0.12 0.00 0.73 0.00 0.00 38.32 41.24 2dkt h ASN 128 CO -0.42 0.18 0.26 0.18 -1.29 0.00 0.00 177.43 176.34 2dkt n LEU 129 N -4.87 4.76 -4.56 0.34 4.77 0.19 -4.82 117.00 112.81 2dkt n LEU 129 Ca 0.22 -2.48 -0.14 0.00 -0.03 0.00 0.00 56.01 53.58 2dkt n LEU 129 Cb 0.59 -0.67 -0.08 0.00 -2.33 0.00 0.00 43.42 40.93 2dkt n LEU 129 CO 0.19 0.71 1.18 0.00 -1.33 0.00 0.00 177.39 178.14 2dkt s ARG 130 N -1.97 1.48 0.00 3.23 1.70 0.18 -3.17 118.95 120.40 2dkt s ARG 130 Ca 0.33 0.26 0.00 0.00 -0.47 0.00 0.00 55.73 55.85 2dkt s ARG 130 Cb 0.27 -4.83 0.00 0.00 -0.57 0.00 0.00 34.95 29.82 2dkt s ARG 130 CO 0.07 -4.73 0.00 0.41 -1.08 0.00 0.00 175.30 169.97 2dkt n GLY 131 N 6.66 2.81 0.30 3.88 0.00 -1.26 -4.85 105.19 112.73 2dkt n GLY 131 Ca 0.45 -0.70 0.21 0.00 0.00 0.00 0.00 46.02 45.98 2dkt n GLY 131 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dkt n LYS 132 N 0.00 -0.06 -1.04 1.61 5.02 -1.19 -4.42 118.16 118.08 2dkt n LYS 132 Ca 0.00 1.30 -0.33 0.00 -2.02 0.00 0.00 58.31 57.26 2dkt n LYS 132 Cb 0.00 -2.19 0.13 0.00 -0.02 0.00 0.00 35.03 32.96 2dkt n LYS 132 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 2dkt s HIS 133 N -5.62 1.82 -0.11 2.13 -3.43 -1.21 -5.00 115.29 103.86 2dkt s HIS 133 Ca -0.10 1.70 -0.11 0.00 -0.80 0.00 0.00 55.06 55.74 2dkt s HIS 133 Cb 0.28 -3.42 -0.05 0.00 -1.43 0.00 0.00 32.58 27.97 2dkt s HIS 133 CO 0.70 -2.75 0.25 -1.59 -2.00 0.00 0.00 174.74 169.35 2dkt s LYS 134 N -4.31 3.90 -0.15 -0.38 -2.85 -1.26 -4.99 119.74 109.69 2dkt s LYS 134 Ca 0.71 0.06 -0.10 0.00 -1.00 0.00 0.00 55.97 55.64 2dkt s LYS 134 Cb -0.26 -3.30 -0.07 0.00 -2.06 0.00 0.00 37.83 32.14 2dkt s LYS 134 CO 0.52 0.53 -0.23 0.00 0.10 0.00 0.00 175.35 176.28 2dkt s ILE 136 N -2.39 4.31 -0.18 0.00 1.10 -1.26 -4.66 121.20 118.12 2dkt s ILE 136 Ca -0.23 1.71 -0.06 0.00 -0.51 0.00 0.00 60.65 61.55 2dkt s ILE 136 Cb 0.08 -4.06 0.08 0.00 0.15 0.00 0.00 42.46 38.71 2dkt s ILE 136 CO 0.30 0.31 0.38 -1.61 -2.11 0.00 0.00 174.94 172.21 2dkt s GLU 137 N -1.66 0.28 -0.10 3.50 0.41 -1.26 -5.15 118.70 114.71 2dkt s GLU 137 Ca 0.43 0.94 0.02 0.00 -0.41 0.00 0.00 54.97 55.96 2dkt s GLU 137 Cb -0.20 0.22 -0.02 0.00 -1.78 0.00 0.00 34.13 32.35 2dkt s GLU 137 CO 0.25 -0.26 -0.16 0.45 -0.49 0.00 0.00 175.26 175.06 2dkt s SER 138 N 2.50 3.82 0.22 -0.19 0.15 -1.26 -5.12 113.70 113.82 2dkt s SER 138 Ca -0.01 -0.34 -0.00 0.00 0.70 0.00 0.00 55.95 56.30 2dkt s SER 138 Cb -0.12 -1.32 -0.04 0.00 -1.71 0.00 0.00 66.02 62.83 2dkt s SER 138 CO -0.12 0.22 0.12 -0.83 1.20 0.00 0.00 173.24 173.83 2dkt s GLY 139 N 0.03 1.57 0.13 9.45 0.00 -1.26 -5.17 107.32 112.07 2dkt s GLY 139 Ca -0.05 -1.77 -0.02 0.00 0.00 0.00 0.00 44.72 42.88 2dkt s GLY 139 CO 0.05 -1.48 0.12 -1.55 0.00 0.00 0.00 173.10 170.24 2dkt n PRO 140 N -0.35 -1.25 -4.60 2.90 -0.04 -1.26 -5.05 135.00 125.35 2dkt n PRO 140 Ca 0.01 -0.19 -0.34 0.00 -0.04 0.00 0.00 63.50 62.95 2dkt n PRO 140 Cb 0.66 -0.18 -0.12 0.00 -0.04 0.00 0.00 33.50 33.83 2dkt n PRO 140 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dkt s SER 141 N -1.83 4.61 0.06 3.54 0.15 -1.26 -5.11 113.70 113.87 2dkt s SER 141 Ca 0.08 -0.07 -0.21 0.00 0.70 0.00 0.00 55.95 56.45 2dkt s SER 141 Cb -0.01 -1.32 0.05 0.00 -1.71 0.00 0.00 66.02 63.03 2dkt s SER 141 CO 0.06 0.31 0.50 -0.55 1.20 0.00 0.00 173.24 174.75 2dkt s SER 142 N -0.49 -0.40 0.00 5.45 0.15 -1.26 -5.38 113.70 111.77 2dkt s SER 142 Ca 0.07 0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.80 2dkt s SER 142 Cb -0.12 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 2dkt s SER 142 CO 0.02 -0.75 0.00 0.61 1.20 0.00 0.00 173.24 174.32