#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k0t s THR 4 N 0.00 -0.01 -0.00 3.15 2.01 0.28 -4.99 115.64 116.08 3k0t s THR 4 Ca 0.00 0.05 -0.26 0.00 0.31 0.00 0.00 61.69 61.79 3k0t s THR 4 Cb 0.00 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 3k0t s THR 4 CO 0.00 0.02 0.82 -0.69 -0.69 0.00 0.00 174.62 174.08 3k0t s VAL 5 N 0.82 4.86 -0.20 3.82 1.01 -1.26 -0.79 120.40 128.67 3k0t s VAL 5 Ca -0.05 1.72 -0.07 0.00 0.00 0.00 0.00 61.98 63.58 3k0t s VAL 5 Cb -0.06 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 3k0t s VAL 5 CO -0.06 0.27 0.05 -0.63 0.00 0.00 0.00 175.10 174.73 3k0t s ILE 6 N 0.53 4.54 -0.05 2.22 -1.09 -0.23 -4.95 121.20 122.18 3k0t s ILE 6 Ca 0.42 -0.12 -0.02 0.00 -2.23 0.00 0.00 60.65 58.71 3k0t s ILE 6 Cb -0.20 -3.06 0.04 0.00 -1.58 0.00 0.00 42.46 37.66 3k0t s ILE 6 CO 0.23 0.43 0.09 -0.89 -1.23 0.00 0.00 174.94 173.57 3k0t s THR 7 N 0.69 -0.12 -0.15 2.92 2.01 -1.26 -3.20 115.64 116.52 3k0t s THR 7 Ca 0.03 0.32 -0.05 0.00 0.31 0.00 0.00 61.69 62.29 3k0t s THR 7 Cb -0.13 -0.18 -0.03 0.00 0.01 0.00 0.00 72.50 72.16 3k0t s THR 7 CO 0.02 0.13 0.02 -0.55 -0.69 0.00 0.00 174.62 173.55 3k0t s SER 8 N 1.76 5.29 0.00 3.53 0.15 -1.26 -4.92 113.70 118.25 3k0t s SER 8 Ca -0.01 0.03 0.30 0.00 0.70 0.00 0.00 55.95 56.97 3k0t s SER 8 Cb -0.12 -1.81 1.72 0.00 -1.71 0.00 0.00 66.02 64.09 3k0t s SER 8 CO -0.04 0.22 2.11 -0.90 1.20 0.00 0.00 173.24 175.83 3k0t n ASP 9 N 3.22 0.17 -0.02 5.45 5.68 -1.26 -3.04 116.55 126.76 3k0t n ASP 9 Ca -0.17 -1.11 0.06 0.00 -0.50 0.00 0.00 54.79 53.07 3k0t n ASP 9 Cb 0.53 -0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.36 3k0t n ASP 9 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3k0t n LYS 10 N -0.84 0.66 -2.38 0.11 4.76 -1.26 -4.96 118.16 114.24 3k0t n LYS 10 Ca 0.22 -0.10 -0.27 0.00 -2.87 0.00 0.00 58.31 55.30 3k0t n LYS 10 Cb 0.13 -1.57 0.03 0.00 -1.84 0.00 0.00 35.03 31.78 3k0t n LYS 10 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3k0t s ALA 11 N -3.23 3.29 0.45 7.82 0.00 -1.17 -4.76 121.76 124.15 3k0t s ALA 11 Ca -0.07 -0.66 -0.25 0.00 0.00 0.00 0.00 51.96 50.97 3k0t s ALA 11 Cb 0.11 -2.63 -0.09 0.00 0.00 0.00 0.00 23.12 20.52 3k0t s ALA 11 CO 0.87 -0.79 1.44 -2.30 0.00 0.00 0.00 175.76 174.99 3k0t n PRO 12 N -2.58 2.29 -1.96 0.00 -0.02 -1.26 -4.90 135.00 126.57 3k0t n PRO 12 Ca 0.04 0.82 -0.40 0.00 -2.02 0.00 0.00 63.50 61.94 3k0t n PRO 12 Cb 0.57 -2.64 -0.00 0.00 -0.02 0.00 0.00 33.50 31.41 3k0t n PRO 12 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k0t s ALA 13 N -1.19 3.40 -0.55 3.55 0.00 -1.26 -4.94 121.76 120.77 3k0t s ALA 13 Ca 0.61 1.37 -0.23 0.00 0.00 0.00 0.00 51.96 53.70 3k0t s ALA 13 Cb -0.45 -3.53 0.04 0.00 0.00 0.00 0.00 23.12 19.18 3k0t s ALA 13 CO 0.58 -0.90 0.90 0.00 0.00 0.00 0.00 175.76 176.34 3k0t s ALA 14 N -1.19 3.19 -0.25 0.00 0.00 -1.26 -5.00 121.76 117.26 3k0t s ALA 14 Ca 0.54 -1.31 -0.08 0.00 0.00 0.00 0.00 51.96 51.11 3k0t s ALA 14 Cb -0.42 -3.69 -0.03 0.00 0.00 0.00 0.00 23.12 18.98 3k0t s ALA 14 CO 0.55 -2.34 0.08 0.42 0.00 0.00 0.00 175.76 174.47 3k0t s ILE 15 N 3.78 4.49 0.00 0.00 -1.09 -1.26 -4.93 121.20 122.19 3k0t s ILE 15 Ca 0.28 -0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.59 3k0t s ILE 15 Cb -0.13 -3.10 0.00 0.00 -1.58 0.00 0.00 42.46 37.65 3k0t s ILE 15 CO 0.18 0.34 0.00 0.61 -1.23 0.00 0.00 174.94 174.84 3k0t n GLY 16 N 4.79 -0.79 2.39 6.18 0.00 -1.26 -4.86 105.19 111.64 3k0t n GLY 16 Ca -0.16 -2.25 -0.20 0.00 0.00 0.00 0.00 46.02 43.40 3k0t n GLY 16 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3k0t n PRO 17 N -0.52 2.15 -3.67 1.61 -0.04 -1.26 -4.85 135.00 128.42 3k0t n PRO 17 Ca 0.00 -1.33 -0.10 0.00 -0.04 0.00 0.00 63.50 62.03 3k0t n PRO 17 Cb 0.00 -2.31 -0.03 0.00 -0.04 0.00 0.00 33.50 31.12 3k0t n PRO 17 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3k0t s TYR 18 N 2.54 -0.23 0.15 0.54 -0.85 -1.26 -5.17 117.35 113.06 3k0t s TYR 18 Ca 0.48 -0.09 0.08 0.00 -0.52 0.00 0.00 57.07 57.02 3k0t s TYR 18 Cb 0.16 0.45 -0.04 0.00 0.38 0.00 0.00 41.96 42.91 3k0t s TYR 18 CO -0.03 -0.92 -0.09 -1.12 -1.52 0.00 0.00 175.55 171.87 3k0t s SER 19 N -2.84 4.32 0.24 -0.18 0.01 -1.26 -4.83 113.70 109.15 3k0t s SER 19 Ca 0.07 -0.50 -0.05 0.00 1.31 0.00 0.00 55.95 56.78 3k0t s SER 19 Cb -0.01 -0.77 0.35 0.00 0.21 0.00 0.00 66.02 65.79 3k0t s SER 19 CO -0.05 0.13 1.84 1.56 0.41 0.00 0.00 173.24 177.14 3k0t h GLN 20 N 3.18 0.91 -2.69 12.44 4.20 -1.95 -3.40 115.11 127.80 3k0t h GLN 20 Ca -0.48 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.15 3k0t h GLN 20 Cb 1.19 -0.21 -0.14 0.00 0.30 0.00 0.00 27.48 28.62 3k0t h GLN 20 CO 0.53 0.60 0.21 0.00 -0.67 0.00 0.00 178.83 179.50 3k0t s ALA 21 N -6.06 -1.65 -0.09 3.87 0.00 -1.19 0.11 121.76 116.74 3k0t s ALA 21 Ca -0.13 0.75 0.02 0.00 0.00 0.00 0.00 51.96 52.60 3k0t s ALA 21 Cb 0.19 0.61 0.01 0.00 0.00 0.00 0.00 23.12 23.93 3k0t s ALA 21 CO 0.79 -0.65 -0.13 0.42 0.00 0.00 0.00 175.76 176.19 3k0t s ILE 22 N -2.97 1.29 -0.22 0.00 -1.09 0.03 -1.06 121.20 117.18 3k0t s ILE 22 Ca -0.03 -0.54 -0.09 0.00 -2.23 0.00 0.00 60.65 57.76 3k0t s ILE 22 Cb -0.01 -1.19 -0.05 0.00 -1.58 0.00 0.00 42.46 39.64 3k0t s ILE 22 CO -0.06 0.40 0.12 -0.75 -1.23 0.00 0.00 174.94 173.41 3k0t s LYS 23 N 0.88 4.02 -0.30 2.79 2.20 0.03 -0.24 119.74 129.13 3k0t s LYS 23 Ca -0.10 -0.30 -0.01 0.00 -0.36 0.00 0.00 55.97 55.20 3k0t s LYS 23 Cb -0.15 -3.41 0.09 0.00 -1.51 0.00 0.00 37.83 32.86 3k0t s LYS 23 CO 0.01 0.13 0.08 0.00 -0.36 0.00 0.00 175.35 175.21 3k0t s ALA 24 N 0.81 1.58 0.00 3.13 0.00 0.56 -0.55 121.76 127.28 3k0t s ALA 24 Ca 0.06 -1.62 0.00 0.00 0.00 0.00 0.00 51.96 50.40 3k0t s ALA 24 Cb -0.13 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.40 3k0t s ALA 24 CO 0.02 -1.60 0.00 0.41 0.00 0.00 0.00 175.76 174.59 3k0t n GLY 25 N 4.83 1.75 0.57 0.00 0.00 -1.26 -2.05 105.19 109.02 3k0t n GLY 25 Ca -0.03 -0.44 0.13 0.00 0.00 0.00 0.00 46.02 45.69 3k0t n GLY 25 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3k0t n ASN 26 N 6.60 1.81 -4.63 1.61 4.13 -1.26 -4.88 115.26 118.64 3k0t n ASN 26 Ca 0.00 -1.55 -0.37 0.00 1.68 0.00 0.00 54.58 54.34 3k0t n ASN 26 Cb 0.00 0.03 -0.10 0.00 -1.54 0.00 0.00 39.78 38.17 3k0t n ASN 26 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3k0t s THR 27 N -2.07 5.22 -0.33 3.41 2.01 -0.87 -0.87 115.64 122.14 3k0t s THR 27 Ca 0.34 0.13 -0.07 0.00 0.31 0.00 0.00 61.69 62.40 3k0t s THR 27 Cb 0.20 -3.44 0.03 0.00 0.01 0.00 0.00 72.50 69.30 3k0t s THR 27 CO 0.35 0.34 0.11 -0.69 -0.69 0.00 0.00 174.62 174.05 3k0t s VAL 28 N 1.17 3.98 0.66 3.82 1.01 0.15 -0.33 120.40 130.86 3k0t s VAL 28 Ca 0.07 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.09 3k0t s VAL 28 Cb -0.14 -3.18 0.08 0.00 0.00 0.00 0.00 36.38 33.13 3k0t s VAL 28 CO 0.05 -0.10 0.92 -0.31 0.00 0.00 0.00 175.10 175.66 3k0t s TYR 29 N 1.46 2.43 0.27 5.22 2.02 0.67 -1.20 117.35 128.22 3k0t s TYR 29 Ca 0.00 0.03 0.12 0.00 -0.37 0.00 0.00 57.07 56.85 3k0t s TYR 29 Cb -0.19 -2.99 -0.05 0.00 -0.40 0.00 0.00 41.96 38.34 3k0t s TYR 29 CO 0.03 -1.33 -0.21 -1.12 -1.57 0.00 0.00 175.55 171.36 3k0t s SER 31 N -4.56 3.57 0.49 2.29 0.01 0.12 -0.79 113.70 114.82 3k0t s SER 31 Ca 0.61 -1.01 -0.23 0.00 1.31 0.00 0.00 55.95 56.64 3k0t s SER 31 Cb -0.09 -0.29 -0.07 0.00 0.21 0.00 0.00 66.02 65.78 3k0t s SER 31 CO 0.42 0.05 1.26 -0.83 0.41 0.00 0.00 173.24 174.55 3k0t s GLY 32 N -3.40 2.84 -0.05 3.44 0.00 -1.26 -4.60 107.32 104.29 3k0t s GLY 32 Ca 0.29 1.13 0.05 0.00 0.00 0.00 0.00 44.72 46.20 3k0t s GLY 32 CO 0.14 1.63 -0.21 1.20 0.00 0.00 0.00 173.10 175.86 3k0t s GLN 33 N -2.72 2.47 0.48 2.90 -1.52 -1.26 -4.94 119.66 115.07 3k0t s GLN 33 Ca 0.66 -0.84 0.07 0.00 -1.95 0.00 0.00 55.36 53.31 3k0t s GLN 33 Cb -0.35 -2.22 0.01 0.00 -0.22 0.00 0.00 33.01 30.23 3k0t s GLN 33 CO 0.42 0.49 0.47 0.96 -0.25 0.00 0.00 175.29 177.37 3k0t s ILE 34 N -0.42 2.33 0.00 1.08 -4.36 -1.26 -4.36 121.20 114.21 3k0t s ILE 34 Ca 0.04 -1.30 -0.01 0.00 -0.26 0.00 0.00 60.65 59.12 3k0t s ILE 34 Cb -0.12 -2.64 -0.05 0.00 1.25 0.00 0.00 42.46 40.90 3k0t s ILE 34 CO 0.02 0.00 1.72 -2.65 0.24 0.00 0.00 174.94 174.27 3k0t n PRO 35 N -1.74 0.87 -2.71 0.37 -0.02 -1.26 -4.49 135.00 126.02 3k0t n PRO 35 Ca 0.04 -0.19 -0.41 0.00 -2.02 0.00 0.00 63.50 60.92 3k0t n PRO 35 Cb 0.62 -1.35 -0.04 0.00 -0.02 0.00 0.00 33.50 32.71 3k0t n PRO 35 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3k0t s LEU 36 N 0.00 4.44 -0.22 2.45 1.43 -1.26 -1.44 118.68 124.09 3k0t s LEU 36 Ca 0.13 1.75 -0.29 0.00 -1.03 0.00 0.00 54.13 54.69 3k0t s LEU 36 Cb 0.06 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.70 3k0t s LEU 36 CO 0.00 -0.16 1.10 -0.62 0.23 0.00 0.00 176.35 176.90 3k0t s ASP 37 N 0.43 7.06 0.47 2.29 2.15 -0.13 -4.82 116.67 124.11 3k0t s ASP 37 Ca 0.49 1.45 0.17 0.00 0.43 0.00 0.00 52.55 55.09 3k0t s ASP 37 Cb -0.23 -2.54 1.14 0.00 -0.30 0.00 0.00 42.92 40.99 3k0t s ASP 37 CO 0.29 -0.70 2.00 -0.65 -0.17 0.00 0.00 175.17 175.95 3k0t h PRO 38 N 7.65 0.26 0.13 4.34 0.11 -1.89 -2.96 132.00 139.65 3k0t h PRO 38 Ca -0.21 -0.02 -0.28 0.00 0.11 0.00 0.00 66.00 65.61 3k0t h PRO 38 Cb 1.07 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 32.13 3k0t h PRO 38 CO 0.98 0.17 -1.28 0.66 -0.21 0.00 0.00 178.00 178.32 3k0t h SER 39 N 0.27 0.44 0.00 -2.05 4.64 -1.92 -3.44 113.55 111.49 3k0t h SER 39 Ca 0.24 -0.48 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3k0t h SER 39 Cb 0.58 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3k0t h SER 39 CO -0.05 1.38 0.00 0.35 -0.87 0.00 0.00 176.83 177.64 3k0t n THR 40 N -3.53 0.00 0.00 2.95 -2.24 -1.12 -5.18 114.28 105.15 3k0t n THR 40 Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 3k0t n THR 40 Cb 1.03 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 3k0t n THR 40 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3k0t n GLU 42 N 0.00 0.00 -2.27 -0.78 -0.58 -1.25 -4.98 120.64 110.77 3k0t n GLU 42 Ca 0.00 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.33 3k0t n GLU 42 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 3k0t n GLU 42 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3k0t s LEU 43 N 0.00 4.48 0.74 -4.62 1.43 -1.26 -0.96 118.68 118.49 3k0t s LEU 43 Ca 0.00 2.50 -0.11 0.00 -1.03 0.00 0.00 54.13 55.49 3k0t s LEU 43 Cb 0.00 -3.64 0.03 0.00 0.03 0.00 0.00 46.19 42.61 3k0t s LEU 43 CO 0.00 -0.37 1.08 0.68 0.23 0.00 0.00 176.35 177.97 3k0t s VAL 44 N -1.09 3.59 -0.12 -1.59 -7.23 -0.52 -4.87 120.40 108.57 3k0t s VAL 44 Ca 0.47 0.52 -0.07 0.00 -1.81 0.00 0.00 61.98 61.09 3k0t s VAL 44 Cb -0.36 -3.30 -0.04 0.00 0.56 0.00 0.00 36.38 33.24 3k0t s VAL 44 CO 0.47 -0.67 0.12 -1.61 -0.31 0.00 0.00 175.10 173.10 3k0t s GLU 45 N -5.14 3.42 0.00 4.82 0.41 -1.26 -4.72 118.70 116.24 3k0t s GLU 45 Ca 0.59 -0.16 0.00 0.00 -0.41 0.00 0.00 54.97 54.99 3k0t s GLU 45 Cb -0.14 -3.15 0.00 0.00 -1.78 0.00 0.00 34.13 29.06 3k0t s GLU 45 CO 0.54 0.75 0.00 0.41 -0.49 0.00 0.00 175.26 176.48 3k0t n GLY 46 N 2.06 -0.92 0.23 -1.39 0.00 -1.26 -4.49 105.19 99.41 3k0t n GLY 46 Ca -0.20 -1.35 -0.03 0.00 0.00 0.00 0.00 46.02 44.44 3k0t n GLY 46 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3k0t h ILE 47 N 0.00 0.95 -0.42 -0.61 6.09 -1.99 -0.45 117.51 121.09 3k0t h ILE 47 Ca 0.00 -0.20 -0.01 0.00 -1.37 0.00 0.00 64.86 63.28 3k0t h ILE 47 Cb 0.00 0.33 -0.02 0.00 0.47 0.00 0.00 36.82 37.61 3k0t h ILE 47 CO 0.00 0.10 0.22 -0.33 -3.07 0.00 0.00 178.15 175.07 3k0t h GLU 48 N 0.57 0.59 -0.84 2.19 3.07 -1.98 0.21 114.58 118.39 3k0t h GLU 48 Ca 0.26 -0.08 -0.03 0.00 -0.50 0.00 0.00 59.36 59.01 3k0t h GLU 48 Cb 0.16 -0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 27.92 3k0t h GLU 48 CO -0.17 0.49 0.41 0.00 -1.40 0.00 0.00 179.01 178.34 3k0t h ALA 49 N 1.07 1.14 -0.23 3.43 0.00 -1.72 -1.56 119.26 121.38 3k0t h ALA 49 Ca 0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3k0t h ALA 49 Cb 0.08 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3k0t h ALA 49 CO -0.02 0.65 0.03 1.96 0.00 0.00 0.00 179.25 181.87 3k0t h GLN 50 N 1.19 0.39 0.00 0.00 4.20 -0.50 0.35 115.11 120.75 3k0t h GLN 50 Ca 0.29 -0.11 0.01 0.00 0.06 0.00 0.00 58.65 58.90 3k0t h GLN 50 Cb 0.10 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3k0t h GLN 50 CO -0.04 0.54 -0.07 0.82 -0.67 0.00 0.00 178.83 179.41 3k0t h ILE 51 N 0.18 0.82 -0.69 2.54 2.04 -0.83 -1.25 117.51 120.33 3k0t h ILE 51 Ca 0.07 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.98 3k0t h ILE 51 Cb 0.34 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 3k0t h ILE 51 CO 0.01 0.00 0.40 0.74 0.00 0.00 0.00 178.15 179.30 3k0t h THR 52 N -0.12 1.02 -0.83 -0.27 2.02 -1.21 -2.14 112.91 111.38 3k0t h THR 52 Ca 0.03 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 3k0t h THR 52 Cb 0.15 0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 66.72 3k0t h THR 52 CO -0.07 0.14 0.39 -0.61 0.37 0.00 0.00 175.52 175.74 3k0t h GLN 53 N 0.76 1.21 -0.49 6.66 5.75 -0.48 -0.45 115.11 128.06 3k0t h GLN 53 Ca 0.29 -0.18 -0.01 0.00 -0.15 0.00 0.00 58.65 58.60 3k0t h GLN 53 Cb 0.12 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.43 3k0t h GLN 53 CO -0.15 0.93 0.28 0.28 -2.65 0.00 0.00 178.83 177.52 3k0t h VAL 54 N 1.19 1.17 -0.56 2.39 2.07 -0.75 0.50 116.25 122.26 3k0t h VAL 54 Ca 0.28 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.32 3k0t h VAL 54 Cb 0.14 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 3k0t h VAL 54 CO -0.03 0.17 0.07 -0.26 0.02 0.00 0.00 177.57 177.55 3k0t h PHE 55 N 0.65 0.94 -0.56 1.57 0.04 -0.99 -0.79 116.94 117.80 3k0t h PHE 55 Ca 0.17 -0.12 -0.07 0.00 2.80 0.00 0.00 57.97 60.76 3k0t h PHE 55 Cb 0.04 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 37.90 3k0t h PHE 55 CO -0.02 0.82 0.09 0.93 -0.60 0.00 0.00 178.31 179.53 3k0t h GLU 56 N 0.85 0.93 -0.21 1.51 4.39 -0.73 0.74 114.58 122.06 3k0t h GLU 56 Ca 0.17 -0.25 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 3k0t h GLU 56 Cb 0.40 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 3k0t h GLU 56 CO 0.01 0.90 0.06 -0.91 -1.16 0.00 0.00 179.01 177.90 3k0t h ASN 57 N 0.83 0.32 -0.34 1.42 2.35 -0.55 -1.13 115.58 118.47 3k0t h ASN 57 Ca 0.17 -0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 3k0t h ASN 57 Cb 0.42 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 3k0t h ASN 57 CO 0.01 0.46 0.14 -0.07 -1.65 0.00 0.00 177.43 176.31 3k0t h LEU 58 N 0.16 0.52 -0.34 1.61 3.38 -1.02 -1.98 115.31 117.63 3k0t h LEU 58 Ca 0.07 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3k0t h LEU 58 Cb 0.26 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3k0t h LEU 58 CO -0.00 0.49 0.11 0.50 0.09 0.00 0.00 178.44 179.62 3k0t h LYS 59 N 0.56 0.54 -0.30 1.13 3.64 -0.48 0.68 116.57 122.35 3k0t h LYS 59 Ca 0.14 -0.12 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3k0t h LYS 59 Cb 0.15 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3k0t h LYS 59 CO -0.01 0.57 0.16 0.77 -2.27 0.00 0.00 179.45 178.67 3k0t h SER 60 N 0.40 0.25 -0.78 4.20 0.02 -0.79 -0.42 113.55 116.44 3k0t h SER 60 Ca 0.11 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 3k0t h SER 60 Cb 0.26 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.72 3k0t h SER 60 CO -0.00 0.18 0.35 0.58 -1.14 0.00 0.00 176.83 176.80 3k0t h VAL 61 N 0.33 1.25 -0.58 2.27 2.07 -1.14 -0.33 116.25 120.12 3k0t h VAL 61 Ca 0.12 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 3k0t h VAL 61 Cb 0.02 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 3k0t h VAL 61 CO -0.07 0.31 0.24 0.00 0.02 0.00 0.00 177.57 178.07 3k0t h ALA 62 N 1.26 0.75 -0.60 1.67 0.00 -0.50 -0.86 119.26 120.98 3k0t h ALA 62 Ca 0.27 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3k0t h ALA 62 Cb 0.15 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3k0t h ALA 62 CO -0.03 0.36 0.01 1.96 0.00 0.00 0.00 179.25 181.55 3k0t h GLN 63 N 0.80 1.04 0.00 0.00 4.20 -0.74 -0.72 115.11 119.69 3k0t h GLN 63 Ca 0.19 -0.32 -0.04 0.00 0.06 0.00 0.00 58.65 58.55 3k0t h GLN 63 Cb 0.19 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 3k0t h GLN 63 CO -0.02 1.01 -0.18 0.00 -0.67 0.00 0.00 178.83 178.97 3k0t h ALA 64 N 1.04 1.50 0.00 3.87 0.00 -0.67 -0.96 119.26 124.05 3k0t h ALA 64 Ca 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3k0t h ALA 64 Cb 0.54 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3k0t h ALA 64 CO 0.03 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.51 3k0t n ALA 65 N -2.42 2.61 -0.94 0.00 0.00 -0.36 -4.80 120.51 114.61 3k0t n ALA 65 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3k0t n ALA 65 Cb 0.26 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.29 3k0t n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k0t n GLY 66 N 0.85 0.42 0.00 0.00 0.00 -0.36 -5.02 105.19 101.07 3k0t n GLY 66 Ca 0.20 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.19 3k0t n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k0t n GLY 67 N -2.93 5.75 3.84 -0.02 0.00 -0.35 -5.02 105.19 106.47 3k0t n GLY 67 Ca 0.00 -1.53 -0.08 0.00 0.00 0.00 0.00 46.02 44.41 3k0t n GLY 67 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k0t s SER 68 N 1.00 -0.15 0.59 1.61 1.04 -1.26 -3.65 113.70 112.88 3k0t s SER 68 Ca 0.00 -0.82 0.29 0.00 0.48 0.00 0.00 55.95 55.90 3k0t s SER 68 Cb 0.00 0.78 1.57 0.00 0.10 0.00 0.00 66.02 68.47 3k0t s SER 68 CO 0.00 -1.48 1.99 -0.26 0.98 0.00 0.00 173.24 174.47 3k0t h PHE 69 N 2.00 0.00 0.00 5.02 -1.00 -1.93 0.16 116.94 121.19 3k0t h PHE 69 Ca -0.24 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.52 3k0t h PHE 69 Cb 1.25 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.81 3k0t h PHE 69 CO 0.80 0.00 -0.08 0.87 -1.61 0.00 0.00 178.31 178.29 3k0t h LYS 70 N 0.00 0.00 -0.00 1.51 1.57 -1.95 -2.29 116.57 115.41 3k0t h LYS 70 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3k0t h LYS 70 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 3k0t h LYS 70 CO -0.00 0.08 -0.37 -0.25 -0.57 0.00 0.00 179.45 178.34 3k0t n ASP 71 N -3.90 0.60 -4.70 0.86 8.00 0.55 -4.89 116.55 113.08 3k0t n ASP 71 Ca -0.02 -0.39 -0.42 0.00 0.71 0.00 0.00 54.79 54.67 3k0t n ASP 71 Cb 0.17 0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.38 3k0t n ASP 71 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3k0t s ILE 72 N -2.83 3.45 -0.30 0.53 1.01 -0.86 -1.02 121.20 121.18 3k0t s ILE 72 Ca 0.16 0.95 0.16 0.00 0.00 0.00 0.00 60.65 61.92 3k0t s ILE 72 Cb 0.18 -3.61 -0.22 0.00 0.01 0.00 0.00 42.46 38.82 3k0t s ILE 72 CO 0.62 0.03 0.48 1.33 0.00 0.00 0.00 174.94 177.40 3k0t n VAL 73 N 4.36 0.00 -3.69 2.92 0.24 0.59 -4.41 118.33 118.33 3k0t n VAL 73 Ca 0.13 -0.28 -0.12 0.00 -2.04 0.00 0.00 64.34 62.02 3k0t n VAL 73 Cb 0.43 0.46 -0.09 0.00 -1.47 0.00 0.00 33.84 33.16 3k0t n VAL 73 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3k0t s LYS 74 N -2.89 0.57 -0.02 7.34 2.47 -1.14 -1.52 119.74 124.54 3k0t s LYS 74 Ca -0.01 0.77 0.01 0.00 -1.56 0.00 0.00 55.97 55.18 3k0t s LYS 74 Cb 0.11 0.22 0.02 0.00 -1.46 0.00 0.00 37.83 36.72 3k0t s LYS 74 CO 0.67 -0.10 -0.02 -1.17 0.16 0.00 0.00 175.35 174.90 3k0t s LEU 75 N 0.61 1.42 -0.15 5.43 0.20 -0.68 -1.13 118.68 124.38 3k0t s LEU 75 Ca -0.03 -0.05 -0.05 0.00 0.69 0.00 0.00 54.13 54.69 3k0t s LEU 75 Cb -0.05 -0.24 -0.04 0.00 -0.43 0.00 0.00 46.19 45.44 3k0t s LEU 75 CO -0.04 -0.05 0.02 0.20 -0.29 0.00 0.00 176.35 176.19 3k0t s ASN 76 N 0.69 5.33 -0.23 3.68 0.02 -0.23 -2.30 114.94 121.91 3k0t s ASN 76 Ca -0.07 0.05 -0.05 0.00 -1.02 0.00 0.00 52.86 51.76 3k0t s ASN 76 Cb -0.10 -1.81 -0.02 0.00 0.02 0.00 0.00 41.25 39.34 3k0t s ASN 76 CO -0.01 0.23 0.01 -0.63 0.02 0.00 0.00 177.10 176.72 3k0t s ILE 77 N 0.03 3.90 -0.20 0.60 1.01 -0.31 -2.66 121.20 123.57 3k0t s ILE 77 Ca 0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 60.65 60.35 3k0t s ILE 77 Cb -0.13 -2.79 0.00 0.00 0.01 0.00 0.00 42.46 39.56 3k0t s ILE 77 CO 0.02 0.39 -0.11 -0.36 0.00 0.00 0.00 174.94 174.87 3k0t s PHE 78 N 1.39 2.88 -0.03 3.97 0.08 -0.01 -1.81 117.98 124.45 3k0t s PHE 78 Ca 0.05 -1.25 0.04 0.00 0.12 0.00 0.00 56.93 55.89 3k0t s PHE 78 Cb -0.15 -2.02 -0.01 0.00 -0.57 0.00 0.00 43.02 40.28 3k0t s PHE 78 CO 0.01 -0.66 -0.16 -0.51 -0.10 0.00 0.00 175.22 173.80 3k0t s LEU 79 N 1.38 1.95 0.40 -0.37 1.43 -0.86 -1.58 118.68 121.03 3k0t s LEU 79 Ca 0.05 -0.31 0.22 0.00 -1.03 0.00 0.00 54.13 53.06 3k0t s LEU 79 Cb -0.14 -0.86 0.64 0.00 0.03 0.00 0.00 46.19 45.86 3k0t s LEU 79 CO -0.08 0.16 1.71 0.71 0.23 0.00 0.00 176.35 179.08 3k0t h THR 80 N 5.06 0.59 -3.21 5.49 1.35 -1.67 0.26 112.91 120.76 3k0t h THR 80 Ca -0.34 -1.40 -0.40 0.00 -0.55 0.00 0.00 66.41 63.72 3k0t h THR 80 Cb 1.16 1.96 -0.40 0.00 -1.73 0.00 0.00 68.15 69.15 3k0t h THR 80 CO 0.48 0.27 -0.74 -0.62 -0.25 0.00 0.00 175.52 174.66 3k0t s ASP 81 N -6.26 1.57 0.00 5.36 -1.08 -1.26 -4.58 116.67 110.41 3k0t s ASP 81 Ca 0.02 -0.17 0.23 0.00 -0.52 0.00 0.00 52.55 52.11 3k0t s ASP 81 Cb 0.09 -0.17 1.32 0.00 -1.46 0.00 0.00 42.92 42.69 3k0t s ASP 81 CO 0.67 -0.29 1.74 0.18 0.52 0.00 0.00 175.17 177.99 3k0t n LEU 82 N 5.29 0.00 0.00 -1.34 4.77 -1.26 -1.74 117.00 122.72 3k0t n LEU 82 Ca -0.04 0.07 0.11 0.00 -0.03 0.00 0.00 56.01 56.12 3k0t n LEU 82 Cb 0.50 -0.07 0.63 0.00 -2.33 0.00 0.00 43.42 42.15 3k0t n LEU 82 CO 0.07 -0.02 0.86 0.61 -1.33 0.00 0.00 177.39 177.59 3k0t n GLY 83 N 0.48 -0.84 0.83 -0.72 0.00 -1.26 -1.21 105.19 102.48 3k0t n GLY 83 Ca 0.16 -0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.14 3k0t n GLY 83 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3k0t n HIS 84 N -1.11 0.33 -0.20 1.61 8.25 -0.71 -4.62 115.22 118.77 3k0t n HIS 84 Ca 0.15 -0.23 -0.07 0.00 -0.26 0.00 0.00 57.72 57.31 3k0t n HIS 84 Cb 0.12 -0.01 0.08 0.00 1.12 0.00 0.00 29.99 31.30 3k0t n HIS 84 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 3k0t h PHE 85 N 3.29 1.08 -0.80 4.41 3.57 -1.34 -2.43 116.94 124.72 3k0t h PHE 85 Ca 0.00 -0.15 0.10 0.00 3.53 0.00 0.00 57.97 61.45 3k0t h PHE 85 Cb 0.79 -0.30 -0.08 0.00 2.79 0.00 0.00 35.95 39.15 3k0t h PHE 85 CO 0.17 0.92 0.43 0.00 -2.23 0.00 0.00 178.31 177.60 3k0t h ALA 86 N 1.13 1.14 -0.30 2.41 0.00 -1.82 -1.03 119.26 120.79 3k0t h ALA 86 Ca 0.19 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 3k0t h ALA 86 Cb 0.44 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3k0t h ALA 86 CO 0.01 0.03 -0.39 -0.22 0.00 0.00 0.00 179.25 178.68 3k0t h LYS 87 N 0.71 0.71 -0.43 0.00 1.63 -1.83 -1.15 116.57 116.21 3k0t h LYS 87 Ca 0.39 -0.36 -0.03 0.00 -0.85 0.00 0.00 60.65 59.80 3k0t h LYS 87 Cb 0.41 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.03 3k0t h LYS 87 CO -0.27 0.98 0.14 0.28 -3.45 0.00 0.00 179.45 177.12 3k0t h VAL 88 N 0.58 1.22 -0.27 2.00 2.07 -0.91 -1.71 116.25 119.23 3k0t h VAL 88 Ca 0.05 -0.73 0.03 0.00 0.82 0.00 0.00 66.70 66.87 3k0t h VAL 88 Cb 0.93 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 3k0t h VAL 88 CO 0.08 0.26 0.09 0.78 0.02 0.00 0.00 177.57 178.80 3k0t h ASN 89 N 0.56 0.09 0.48 0.57 -0.26 -1.04 -3.09 115.58 112.89 3k0t h ASN 89 Ca 0.14 0.03 -0.02 0.00 -0.56 0.00 0.00 56.30 55.89 3k0t h ASN 89 Cb 0.26 0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.55 3k0t h ASN 89 CO -0.00 0.09 -0.23 -0.08 -1.06 0.00 0.00 177.43 176.14 3k0t h GLU 90 N 0.21 -0.62 -1.91 0.81 4.81 -1.09 -1.28 114.58 115.51 3k0t h GLU 90 Ca 0.12 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3k0t h GLU 90 Cb 0.09 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.61 3k0t h GLU 90 CO -0.13 -0.41 0.00 -0.89 -0.73 0.00 0.00 179.01 176.85 3k0t n ILE 91 N -5.37 0.20 0.00 2.32 5.41 -0.65 -3.00 119.36 118.27 3k0t n ILE 91 Ca -0.12 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.61 3k0t n ILE 91 Cb 0.27 -0.77 0.00 0.00 -0.71 0.00 0.00 39.64 38.43 3k0t n ILE 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3k0t n GLY 93 N 1.32 0.00 0.03 7.39 0.00 -0.48 -2.99 105.19 110.45 3k0t n GLY 93 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 3k0t n GLY 93 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k0t n SER 94 N 0.00 0.43 -0.01 1.61 3.41 -1.16 -3.96 113.62 113.94 3k0t n SER 94 Ca 0.00 0.14 0.07 0.00 -0.26 0.00 0.00 58.87 58.83 3k0t n SER 94 Cb 0.00 -0.11 -0.11 0.00 -0.26 0.00 0.00 64.21 63.73 3k0t n SER 94 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3k0t n TYR 95 N -1.71 0.00 -4.36 7.33 4.01 -1.16 -5.02 117.16 116.25 3k0t n TYR 95 Ca 0.05 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.57 3k0t n TYR 95 Cb 0.37 -0.30 -0.11 0.00 -0.31 0.00 0.00 39.34 38.99 3k0t n TYR 95 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3k0t s PHE 96 N -2.93 1.91 0.15 -0.72 0.08 -1.25 -4.92 117.98 110.29 3k0t s PHE 96 Ca -0.04 -0.45 -0.02 0.00 0.12 0.00 0.00 56.93 56.53 3k0t s PHE 96 Cb 0.09 -0.93 -0.03 0.00 -0.57 0.00 0.00 43.02 41.58 3k0t s PHE 96 CO 0.60 0.39 0.11 -1.54 -0.10 0.00 0.00 175.22 174.68 3k0t s SER 97 N -2.80 0.23 0.38 1.36 1.04 -1.26 -4.72 113.70 107.94 3k0t s SER 97 Ca 0.18 -1.19 -0.27 0.00 0.48 0.00 0.00 55.95 55.15 3k0t s SER 97 Cb -0.05 0.34 -0.11 0.00 0.10 0.00 0.00 66.02 66.29 3k0t s SER 97 CO 0.08 -0.78 1.37 0.00 0.98 0.00 0.00 173.24 174.88 3k0t n GLN 98 N -0.15 2.28 -2.53 4.02 6.02 -1.26 -3.66 117.38 122.10 3k0t n GLN 98 Ca -0.04 0.80 -0.42 0.00 -0.01 0.00 0.00 57.00 57.33 3k0t n GLN 98 Cb 0.64 -2.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.39 3k0t n GLN 98 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3k0t s PRO 99 N -2.08 4.38 0.52 -1.09 0.04 -1.26 -5.15 135.00 130.36 3k0t s PRO 99 Ca 0.56 1.59 -0.19 0.00 0.04 0.00 0.00 61.00 63.00 3k0t s PRO 99 Cb -0.51 -3.54 -0.07 0.00 0.04 0.00 0.00 34.50 30.42 3k0t s PRO 99 CO 0.61 -0.38 1.07 0.71 0.04 0.00 0.00 177.00 179.05 3k0t s TYR 100 N 2.04 2.89 0.82 0.56 2.02 -1.24 -5.03 117.35 119.40 3k0t s TYR 100 Ca 0.54 1.56 -0.12 0.00 -0.37 0.00 0.00 57.07 58.68 3k0t s TYR 100 Cb -0.23 -3.13 0.08 0.00 -0.40 0.00 0.00 41.96 38.28 3k0t s TYR 100 CO 0.21 -1.11 1.11 -1.25 -1.57 0.00 0.00 175.55 172.95 3k0t s PRO 101 N -3.37 1.92 0.80 -1.71 0.04 -1.26 -5.04 135.00 126.38 3k0t s PRO 101 Ca 0.68 0.49 -0.11 0.00 0.04 0.00 0.00 61.00 62.10 3k0t s PRO 101 Cb -0.19 -1.91 0.07 0.00 0.04 0.00 0.00 34.50 32.51 3k0t s PRO 101 CO 0.24 -1.70 1.09 0.00 0.04 0.00 0.00 177.00 176.67 3k0t s ALA 102 N -3.24 2.19 0.08 8.56 0.00 -0.58 -4.90 121.76 123.87 3k0t s ALA 102 Ca 0.61 -0.07 -0.26 0.00 0.00 0.00 0.00 51.96 52.24 3k0t s ALA 102 Cb -0.14 -3.16 0.08 0.00 0.00 0.00 0.00 23.12 19.91 3k0t s ALA 102 CO 0.53 -1.76 0.81 -0.98 0.00 0.00 0.00 175.76 174.36 3k0t s ARG 103 N -5.06 1.05 0.13 0.00 1.70 -1.26 -1.69 118.95 113.81 3k0t s ARG 103 Ca 0.61 -0.43 0.05 0.00 -0.47 0.00 0.00 55.73 55.48 3k0t s ARG 103 Cb -0.15 0.45 -0.04 0.00 -0.57 0.00 0.00 34.95 34.64 3k0t s ARG 103 CO 0.55 -0.46 -0.11 0.00 -1.08 0.00 0.00 175.30 174.20 3k0t s ALA 104 N -3.36 1.36 -0.19 7.88 0.00 -0.97 -4.96 121.76 121.52 3k0t s ALA 104 Ca 0.05 -1.36 -0.09 0.00 0.00 0.00 0.00 51.96 50.56 3k0t s ALA 104 Cb -0.01 0.02 0.07 0.00 0.00 0.00 0.00 23.12 23.20 3k0t s ALA 104 CO -0.08 -0.04 0.44 0.00 0.00 0.00 0.00 175.76 176.09 3k0t s ALA 105 N -2.82 -1.18 0.06 0.00 0.00 -1.26 -1.16 121.76 115.40 3k0t s ALA 105 Ca 0.12 1.61 0.02 0.00 0.00 0.00 0.00 51.96 53.71 3k0t s ALA 105 Cb -0.01 -1.15 -0.03 0.00 0.00 0.00 0.00 23.12 21.94 3k0t s ALA 105 CO 0.01 -0.49 -0.08 0.96 0.00 0.00 0.00 175.76 176.17 3k0t s ILE 106 N 1.94 0.61 -0.24 0.00 -4.36 -0.75 -4.99 121.20 113.41 3k0t s ILE 106 Ca -0.06 -1.37 -0.18 0.00 -0.26 0.00 0.00 60.65 58.78 3k0t s ILE 106 Cb -0.10 -0.97 -0.03 0.00 1.25 0.00 0.00 42.46 42.61 3k0t s ILE 106 CO -0.14 -0.54 0.50 -0.83 0.24 0.00 0.00 174.94 174.18 3k0t s GLY 107 N -2.06 1.93 0.34 6.27 0.00 -1.26 -2.03 107.32 110.51 3k0t s GLY 107 Ca -0.03 -0.54 0.07 0.00 0.00 0.00 0.00 44.72 44.22 3k0t s GLY 107 CO -0.01 1.15 0.32 -1.34 0.00 0.00 0.00 173.10 173.22 3k0t s VAL 108 N 2.02 3.62 0.07 1.40 -7.23 0.90 -4.94 120.40 116.25 3k0t s VAL 108 Ca 0.22 -1.30 -0.12 0.00 -1.81 0.00 0.00 61.98 58.96 3k0t s VAL 108 Cb -0.15 -3.22 -0.25 0.00 0.56 0.00 0.00 36.38 33.31 3k0t s VAL 108 CO 0.09 -0.17 1.17 0.00 -0.31 0.00 0.00 175.10 175.88 3k0t h ALA 109 N 1.18 0.10 -2.85 1.32 0.00 -1.88 -3.39 119.26 113.75 3k0t h ALA 109 Ca -0.45 -0.74 0.04 0.00 0.00 0.00 0.00 54.91 53.77 3k0t h ALA 109 Cb 1.25 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 19.02 3k0t h ALA 109 CO 0.57 0.72 0.28 0.00 0.00 0.00 0.00 179.25 180.82 3k0t s ALA 110 N -3.14 -1.50 0.11 0.00 0.00 -1.26 -4.97 121.76 110.99 3k0t s ALA 110 Ca -0.09 0.25 0.04 0.00 0.00 0.00 0.00 51.96 52.16 3k0t s ALA 110 Cb 0.07 0.80 -0.04 0.00 0.00 0.00 0.00 23.12 23.95 3k0t s ALA 110 CO 0.92 -0.88 -0.11 -0.51 0.00 0.00 0.00 175.76 175.18 3k0t s LEU 111 N -2.79 2.42 0.30 0.00 1.43 -1.26 -5.00 118.68 113.77 3k0t s LEU 111 Ca 0.06 -0.84 -0.28 0.00 -1.03 0.00 0.00 54.13 52.04 3k0t s LEU 111 Cb -0.03 -0.36 -0.14 0.00 0.03 0.00 0.00 46.19 45.70 3k0t s LEU 111 CO -0.04 -0.25 1.10 -2.65 0.23 0.00 0.00 176.35 174.74 3k0t n PRO 112 N 0.46 1.56 -1.48 1.29 -0.02 -1.26 -1.95 135.00 133.60 3k0t n PRO 112 Ca -0.15 0.55 -0.17 0.00 -2.02 0.00 0.00 63.50 61.71 3k0t n PRO 112 Cb 0.58 -1.98 -0.07 0.00 -0.02 0.00 0.00 33.50 32.00 3k0t n PRO 112 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3k0t n ARG 113 N 0.75 -1.43 -1.07 -0.52 1.74 -1.26 -1.96 116.66 112.91 3k0t n ARG 113 Ca 0.09 1.08 -0.02 0.00 -0.77 0.00 0.00 57.85 58.22 3k0t n ARG 113 Cb 0.33 -5.41 -0.01 0.00 -1.02 0.00 0.00 32.46 26.35 3k0t n ARG 113 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k0t n GLY 114 N -0.39 0.57 3.75 -0.13 0.00 -0.82 -5.00 105.19 103.17 3k0t n GLY 114 Ca -0.17 -0.79 -0.38 0.00 0.00 0.00 0.00 46.02 44.68 3k0t n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k0t s ALA 115 N -2.06 2.88 -0.40 4.61 0.00 -0.83 -4.93 121.76 121.02 3k0t s ALA 115 Ca 0.00 1.32 0.23 0.00 0.00 0.00 0.00 51.96 53.51 3k0t s ALA 115 Cb 0.00 -3.56 0.11 0.00 0.00 0.00 0.00 23.12 19.68 3k0t s ALA 115 CO 0.00 -1.30 1.13 1.96 0.00 0.00 0.00 175.76 177.55 3k0t h GLN 116 N 1.60 0.00 -2.93 0.00 4.20 -1.93 -3.36 115.11 112.69 3k0t h GLN 116 Ca -0.51 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.08 3k0t h GLN 116 Cb 1.29 0.00 -0.21 0.00 0.30 0.00 0.00 27.48 28.86 3k0t h GLN 116 CO 0.58 0.00 -0.26 0.54 -0.67 0.00 0.00 178.83 179.02 3k0t s VAL 117 N -3.29 0.04 0.33 -0.54 0.11 -1.26 -2.46 120.40 113.33 3k0t s VAL 117 Ca 0.02 -0.31 0.01 0.00 -2.93 0.00 0.00 61.98 58.77 3k0t s VAL 117 Cb 0.11 -0.60 -0.01 0.00 -1.53 0.00 0.00 36.38 34.35 3k0t s VAL 117 CO 0.77 -0.17 0.39 -0.70 -3.33 0.00 0.00 175.10 172.06 3k0t s GLU 118 N -0.85 1.80 0.25 1.54 2.12 -0.61 -4.19 118.70 118.76 3k0t s GLU 118 Ca -0.09 -1.82 -0.22 0.00 0.36 0.00 0.00 54.97 53.20 3k0t s GLU 118 Cb -0.04 0.39 0.05 0.00 0.26 0.00 0.00 34.13 34.79 3k0t s GLU 118 CO 0.03 -0.71 0.85 0.16 -0.54 0.00 0.00 175.26 175.05 3k0t s ASP 120 N -3.27 -0.15 0.22 -1.70 1.47 -1.09 -0.83 116.67 111.32 3k0t s ASP 120 Ca 0.34 -0.65 -0.22 0.00 1.18 0.00 0.00 52.55 53.21 3k0t s ASP 120 Cb 0.01 0.64 0.04 0.00 -0.34 0.00 0.00 42.92 43.28 3k0t s ASP 120 CO 0.22 -1.22 0.65 0.00 0.68 0.00 0.00 175.17 175.50 3k0t s ALA 121 N -3.19 -1.37 -0.09 2.11 0.00 -1.26 -1.07 121.76 116.90 3k0t s ALA 121 Ca 0.14 0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.19 3k0t s ALA 121 Cb -0.04 0.87 0.01 0.00 0.00 0.00 0.00 23.12 23.96 3k0t s ALA 121 CO 0.06 -0.90 -0.18 0.42 0.00 0.00 0.00 175.76 175.16 3k0t s ILE 122 N -3.84 1.62 -0.02 0.00 1.01 -0.28 -4.67 121.20 115.01 3k0t s ILE 122 Ca 0.06 -0.75 0.05 0.00 0.00 0.00 0.00 60.65 60.01 3k0t s ILE 122 Cb -0.03 -1.43 -0.03 0.00 0.01 0.00 0.00 42.46 40.98 3k0t s ILE 122 CO -0.03 0.46 -0.18 -0.22 0.00 0.00 0.00 174.94 174.98 3k0t s LEU 123 N 0.58 2.55 -0.16 2.97 0.20 -0.34 -0.30 118.68 124.17 3k0t s LEU 123 Ca -0.15 -0.30 0.00 0.00 0.69 0.00 0.00 54.13 54.37 3k0t s LEU 123 Cb -0.17 -1.50 0.03 0.00 -0.43 0.00 0.00 46.19 44.12 3k0t s LEU 123 CO 0.05 0.32 -0.12 -0.69 -0.29 0.00 0.00 176.35 175.62 3k0t s VAL 124 N -0.74 1.54 -2.00 1.68 1.01 -0.19 0.30 120.40 122.00 3k0t s VAL 124 Ca 0.12 -0.74 0.09 0.00 0.00 0.00 0.00 61.98 61.45 3k0t s VAL 124 Cb -0.10 -1.52 0.27 0.00 0.00 0.00 0.00 36.38 35.02 3k0t s VAL 124 CO 0.01 0.34 1.01 -0.38 0.00 0.00 0.00 175.10 176.07