#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kni s ILE 2 N 0.00 5.09 -0.00 3.17 -1.09 -1.17 -4.93 121.20 122.26 3kni s ILE 2 Ca 0.00 0.08 -0.29 0.00 -2.23 0.00 0.00 60.65 58.21 3kni s ILE 2 Cb 0.00 -3.66 0.10 0.00 -1.58 0.00 0.00 42.46 37.32 3kni s ILE 2 CO 0.00 -0.10 0.87 0.00 -1.23 0.00 0.00 174.94 174.48 3kni s GLN 3 N -3.01 0.84 0.01 2.79 -2.07 -1.26 -1.12 119.66 115.83 3kni s GLN 3 Ca 0.43 -0.29 -0.40 0.00 -1.82 0.00 0.00 55.36 53.28 3kni s GLN 3 Cb -0.11 0.39 -0.20 0.00 -1.09 0.00 0.00 33.01 32.00 3kni s GLN 3 CO 0.26 -0.36 1.09 -0.35 -1.32 0.00 0.00 175.29 174.61 3kni n PRO 4 N -0.21 0.09 -0.30 9.60 -0.04 -1.26 -1.34 135.00 141.54 3kni n PRO 4 Ca -0.09 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 3kni n PRO 4 Cb 0.62 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 3kni n PRO 4 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3kni n GLN 5 N 1.59 0.00 -2.36 0.54 -0.06 0.39 -4.98 117.38 112.49 3kni n GLN 5 Ca 0.20 0.00 -0.28 0.00 -2.00 0.00 0.00 57.00 54.92 3kni n GLN 5 Cb 0.09 -0.81 0.02 0.00 -4.06 0.00 0.00 30.24 25.48 3kni n GLN 5 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 3kni s THR 6 N -2.42 4.05 0.31 1.69 2.01 -0.45 -4.78 115.64 116.05 3kni s THR 6 Ca 0.00 0.17 0.08 0.00 0.31 0.00 0.00 61.69 62.26 3kni s THR 6 Cb 0.00 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 3kni s THR 6 CO 0.00 -0.64 0.15 -0.31 -0.69 0.00 0.00 174.62 173.13 3kni s TYR 7 N -2.98 2.81 -0.11 4.92 1.51 -1.26 0.04 117.35 122.29 3kni s TYR 7 Ca 0.53 -0.29 -0.08 0.00 -1.01 0.00 0.00 57.07 56.22 3kni s TYR 7 Cb -0.11 -1.53 0.03 0.00 -0.11 0.00 0.00 41.96 40.24 3kni s TYR 7 CO 0.46 0.40 0.27 -0.51 -1.11 0.00 0.00 175.55 175.07 3kni s LEU 8 N -3.84 0.75 0.43 -1.29 2.01 0.71 -4.86 118.68 112.60 3kni s LEU 8 Ca 0.36 0.56 -0.23 0.00 0.01 0.00 0.00 54.13 54.83 3kni s LEU 8 Cb -0.05 0.89 -0.09 0.00 0.01 0.00 0.00 46.19 46.96 3kni s LEU 8 CO 0.23 -0.12 1.06 -0.70 1.01 0.00 0.00 176.35 177.83 3kni s GLU 9 N 0.54 4.02 -0.34 1.70 2.56 0.39 -2.37 118.70 125.19 3kni s GLU 9 Ca -0.03 1.50 -0.19 0.00 0.00 0.00 0.00 54.97 56.25 3kni s GLU 9 Cb -0.05 -2.40 -0.00 0.00 2.00 0.00 0.00 34.13 33.68 3kni s GLU 9 CO -0.03 -0.27 0.59 0.14 -0.56 0.00 0.00 175.26 175.13 3kni s VAL 10 N -1.73 4.95 -0.19 3.70 -7.23 -0.84 0.14 120.40 119.20 3kni s VAL 10 Ca 0.61 0.55 -0.00 0.00 -1.81 0.00 0.00 61.98 61.33 3kni s VAL 10 Cb -0.21 -4.02 0.13 0.00 0.56 0.00 0.00 36.38 32.85 3kni s VAL 10 CO 0.26 -0.24 1.96 0.00 -0.31 0.00 0.00 175.10 176.78 3kni n ALA 11 N 5.89 4.59 -3.72 1.32 0.00 0.25 -4.89 120.51 123.96 3kni n ALA 11 Ca -0.03 -0.99 -0.04 0.00 0.00 0.00 0.00 53.44 52.39 3kni n ALA 11 Cb 0.49 -1.22 -0.01 0.00 0.00 0.00 0.00 19.45 18.71 3kni n ALA 11 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3kni s ASP 12 N 0.86 -0.19 0.00 0.00 3.84 -1.26 -2.19 116.67 117.73 3kni s ASP 12 Ca 0.19 -0.34 0.12 0.00 -0.00 0.00 0.00 52.55 52.51 3kni s ASP 12 Cb 0.15 0.45 0.59 0.00 -1.38 0.00 0.00 42.92 42.72 3kni s ASP 12 CO -0.00 -0.82 1.26 -0.46 -0.00 0.00 0.00 175.17 175.15 3kni n ASN 13 N -0.45 0.00 -0.23 2.11 6.94 -1.26 -4.00 115.26 118.37 3kni n ASN 13 Ca -0.06 0.09 0.16 0.00 -0.02 0.00 0.00 54.58 54.75 3kni n ASN 13 Cb 0.61 -0.27 0.31 0.00 -2.36 0.00 0.00 39.78 38.07 3kni n ASN 13 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 3kni n THR 14 N -1.27 -0.29 0.00 5.53 -1.04 -1.26 -4.79 114.28 111.16 3kni n THR 14 Ca 0.06 1.49 0.00 0.00 -2.04 0.00 0.00 64.05 63.55 3kni n THR 14 Cb 0.09 -2.29 0.00 0.00 -1.82 0.00 0.00 70.33 66.31 3kni n THR 14 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kni n GLY 15 N -1.27 3.41 3.76 3.41 0.00 -1.26 -3.25 105.19 109.99 3kni n GLY 15 Ca 0.22 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 3kni n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kni s ALA 16 N 0.00 3.61 -0.25 4.61 0.00 -1.26 -2.31 121.76 126.16 3kni s ALA 16 Ca 0.00 1.40 -0.15 0.00 0.00 0.00 0.00 51.96 53.21 3kni s ALA 16 Cb 0.00 -3.57 -0.11 0.00 0.00 0.00 0.00 23.12 19.45 3kni s ALA 16 CO 0.00 -0.82 -0.33 0.54 0.00 0.00 0.00 175.76 175.15 3kni n ARG 17 N 1.66 0.57 -4.26 0.00 3.00 0.23 -4.64 116.66 113.22 3kni n ARG 17 Ca 0.05 0.27 -0.22 0.00 -0.01 0.00 0.00 57.85 57.93 3kni n ARG 17 Cb 0.40 -1.49 -0.12 0.00 0.00 0.00 0.00 32.46 31.25 3kni n ARG 17 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3kni s LYS 18 N -2.60 1.04 -0.09 5.56 1.02 -1.12 -1.99 119.74 121.56 3kni s LYS 18 Ca -0.36 -1.10 -0.05 0.00 0.02 0.00 0.00 55.97 54.49 3kni s LYS 18 Cb 0.12 -1.23 0.04 0.00 -0.52 0.00 0.00 37.83 36.23 3kni s LYS 18 CO 0.47 0.28 0.20 0.96 -0.92 0.00 0.00 175.35 176.35 3kni s ILE 19 N -1.18 -0.04 -0.06 2.17 -4.36 -1.00 -1.78 121.20 114.95 3kni s ILE 19 Ca 0.04 0.14 -0.21 0.00 -0.26 0.00 0.00 60.65 60.36 3kni s ILE 19 Cb -0.10 -0.32 -0.04 0.00 1.25 0.00 0.00 42.46 43.25 3kni s ILE 19 CO 0.04 0.06 0.59 -0.32 0.24 0.00 0.00 174.94 175.55 3kni s MET 20 N 1.09 4.36 -0.06 0.37 -2.45 -0.67 -0.21 119.30 121.74 3kni s MET 20 Ca -0.08 0.69 -0.30 0.00 -1.25 0.00 0.00 55.69 54.76 3kni s MET 20 Cb -0.10 -3.41 -0.05 0.00 1.25 0.00 0.00 34.83 32.52 3kni s MET 20 CO -0.07 0.20 1.60 0.00 1.05 0.00 0.00 175.02 177.80 3kni n ILE 22 N 5.40 1.59 -3.65 0.00 2.08 -0.69 -0.46 119.36 123.63 3kni n ILE 22 Ca 0.17 -0.79 0.02 0.00 0.56 0.00 0.00 62.75 62.70 3kni n ILE 22 Cb 0.43 -1.01 -0.06 0.00 -0.75 0.00 0.00 39.64 38.25 3kni n ILE 22 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 3kni s ARG 23 N -2.61 0.08 -0.24 0.38 6.06 -1.04 -4.76 118.95 116.83 3kni s ARG 23 Ca -0.05 0.14 -0.29 0.00 -2.50 0.00 0.00 55.73 53.03 3kni s ARG 23 Cb 0.08 0.02 -0.00 0.00 0.06 0.00 0.00 34.95 35.10 3kni s ARG 23 CO 0.82 -0.02 1.27 0.54 -2.50 0.00 0.00 175.30 175.42 3kni s VAL 24 N 1.02 4.23 -1.02 7.11 0.11 -1.26 -1.98 120.40 128.60 3kni s VAL 24 Ca -0.07 1.43 -0.23 0.00 -2.93 0.00 0.00 61.98 60.18 3kni s VAL 24 Cb -0.02 -4.09 0.05 0.00 -1.53 0.00 0.00 36.38 30.78 3kni s VAL 24 CO -0.11 -0.32 1.47 -0.76 -3.33 0.00 0.00 175.10 172.05 3kni s LEU 25 N 3.95 3.49 0.00 2.54 2.01 -1.15 -4.76 118.68 124.76 3kni s LEU 25 Ca 0.55 -1.42 0.00 0.00 0.01 0.00 0.00 54.13 53.27 3kni s LEU 25 Cb -0.19 -2.57 0.00 0.00 0.01 0.00 0.00 46.19 43.44 3kni s LEU 25 CO 0.19 -1.55 0.00 0.29 1.01 0.00 0.00 176.35 176.29 3kni n LYS 26 N 8.89 0.00 0.00 1.70 5.02 -1.26 -4.62 118.16 127.89 3kni n LYS 26 Ca 0.33 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 3kni n LYS 26 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 3kni n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kni n GLY 27 N 0.00 -1.21 0.06 0.72 0.00 -1.26 -4.93 105.19 98.57 3kni n GLY 27 Ca 0.00 -1.16 -0.02 0.00 0.00 0.00 0.00 46.02 44.84 3kni n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kni n SER 28 N 0.00 0.18 -2.77 1.61 3.41 -1.26 -4.66 113.62 110.14 3kni n SER 28 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 3kni n SER 28 Cb 0.00 1.37 0.06 0.00 -0.26 0.00 0.00 64.21 65.38 3kni n SER 28 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3kni n ASN 29 N -2.53 0.95 -4.73 4.04 0.23 -1.26 -5.10 115.26 106.86 3kni n ASN 29 Ca -0.21 -2.24 -0.42 0.00 -0.53 0.00 0.00 54.58 51.18 3kni n ASN 29 Cb 0.90 -0.26 -0.03 0.00 -2.08 0.00 0.00 39.78 38.32 3kni n ASN 29 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3kni s ALA 30 N -2.90 3.72 0.00 -2.53 0.00 -1.26 -4.92 121.76 113.87 3kni s ALA 30 Ca 0.24 1.34 -0.16 0.00 0.00 0.00 0.00 51.96 53.39 3kni s ALA 30 Cb 0.38 -3.60 -0.09 0.00 0.00 0.00 0.00 23.12 19.81 3kni s ALA 30 CO -0.04 -0.76 0.92 0.87 0.00 0.00 0.00 175.76 176.75 3kni h LYS 31 N 6.23 -0.56 -5.41 0.00 1.79 -1.96 -3.46 116.57 113.20 3kni h LYS 31 Ca -0.44 0.04 -0.43 0.00 -2.18 0.00 0.00 60.65 57.64 3kni h LYS 31 Cb 1.21 0.13 -0.14 0.00 -1.58 0.00 0.00 32.23 31.84 3kni h LYS 31 CO 0.87 -0.38 -0.70 0.71 -1.08 0.00 0.00 179.45 178.87 3kni s TYR 32 N -3.74 1.69 -0.10 -1.35 2.02 -1.26 -4.67 117.35 109.95 3kni s TYR 32 Ca -0.09 -0.68 0.04 0.00 -0.37 0.00 0.00 57.07 55.97 3kni s TYR 32 Cb 0.01 -0.88 0.00 0.00 -0.40 0.00 0.00 41.96 40.69 3kni s TYR 32 CO 0.26 0.24 -0.23 0.00 -1.57 0.00 0.00 175.55 174.25 3kni s ALA 33 N -3.10 2.08 0.38 3.71 0.00 -0.28 -4.92 121.76 119.63 3kni s ALA 33 Ca 0.24 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.29 3kni s ALA 33 Cb 0.02 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.35 3kni s ALA 33 CO 0.08 0.26 0.00 -2.37 0.00 0.00 0.00 175.76 173.73 3kni n THR 34 N 3.57 0.00 -1.78 0.00 5.66 -1.26 -3.06 114.28 117.40 3kni n THR 34 Ca -0.19 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.40 3kni n THR 34 Cb 0.53 -1.38 -0.00 0.00 -1.55 0.00 0.00 70.33 67.93 3kni n THR 34 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 3kni s VAL 35 N 0.62 2.02 0.00 1.08 1.01 -1.26 -3.02 120.40 120.84 3kni s VAL 35 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.00 3kni s VAL 35 Cb 0.00 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.37 3kni s VAL 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 3kni n GLY 36 N 0.57 0.68 3.75 4.51 0.00 -1.16 -4.95 105.19 108.59 3kni n GLY 36 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 3kni n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kni s ASP 37 N -2.98 5.31 0.67 1.61 1.01 -1.17 -4.85 116.67 116.27 3kni s ASP 37 Ca 0.00 -0.16 -0.03 0.00 0.71 0.00 0.00 52.55 53.07 3kni s ASP 37 Cb 0.00 -1.33 0.08 0.00 1.01 0.00 0.00 42.92 42.67 3kni s ASP 37 CO 0.00 0.11 0.94 -0.69 0.21 0.00 0.00 175.17 175.74 3kni s VAL 38 N -1.59 2.36 -0.10 -1.27 1.01 -1.26 -1.23 120.40 118.32 3kni s VAL 38 Ca 0.29 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.49 3kni s VAL 38 Cb -0.11 -2.87 0.11 0.00 0.00 0.00 0.00 36.38 33.51 3kni s VAL 38 CO 0.21 0.00 0.92 0.27 0.00 0.00 0.00 175.10 176.50 3kni s ILE 39 N -3.08 0.00 0.16 2.22 -4.36 -0.43 -2.94 121.20 112.77 3kni s ILE 39 Ca 0.62 0.00 0.04 0.00 -0.26 0.00 0.00 60.65 61.04 3kni s ILE 39 Cb -0.09 -1.00 -0.04 0.00 1.25 0.00 0.00 42.46 42.59 3kni s ILE 39 CO 0.43 0.00 0.21 -0.69 0.24 0.00 0.00 174.94 175.13 3kni s VAL 40 N -1.76 4.89 -0.14 8.37 1.01 -0.84 -0.44 120.40 131.48 3kni s VAL 40 Ca -0.01 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 3kni s VAL 40 Cb -0.01 -3.51 0.12 0.00 0.00 0.00 0.00 36.38 32.99 3kni s VAL 40 CO -0.01 -0.11 0.99 0.00 0.00 0.00 0.00 175.10 175.98 3kni s ALA 41 N -1.75 -1.92 0.39 5.51 0.00 -0.95 -1.70 121.76 121.33 3kni s ALA 41 Ca 0.33 1.52 -0.15 0.00 0.00 0.00 0.00 51.96 53.65 3kni s ALA 41 Cb -0.10 -0.55 -0.08 0.00 0.00 0.00 0.00 23.12 22.38 3kni s ALA 41 CO 0.26 -0.37 0.81 0.45 0.00 0.00 0.00 175.76 176.91 3kni s SER 42 N -1.32 6.71 -0.43 0.00 0.15 -0.69 -3.36 113.70 114.76 3kni s SER 42 Ca -0.00 1.34 -0.12 0.00 0.70 0.00 0.00 55.95 57.87 3kni s SER 42 Cb -0.01 -2.40 0.06 0.00 -1.71 0.00 0.00 66.02 61.97 3kni s SER 42 CO 0.00 -0.33 0.30 -0.69 1.20 0.00 0.00 173.24 173.71 3kni s VAL 43 N -2.21 4.69 0.03 4.45 1.01 -0.87 -1.67 120.40 125.83 3kni s VAL 43 Ca 0.55 -1.14 -0.22 0.00 0.00 0.00 0.00 61.98 61.17 3kni s VAL 43 Cb -0.10 -3.78 -0.15 0.00 0.00 0.00 0.00 36.38 32.35 3kni s VAL 43 CO 0.22 -0.47 1.39 0.11 0.00 0.00 0.00 175.10 176.36 3kni h LYS 44 N 8.54 0.21 -3.75 2.72 1.79 -1.69 -3.15 116.57 121.25 3kni h LYS 44 Ca -0.25 -0.09 -0.32 0.00 -2.18 0.00 0.00 60.65 57.81 3kni h LYS 44 Cb 1.10 -0.01 -0.33 0.00 -1.58 0.00 0.00 32.23 31.41 3kni h LYS 44 CO 0.78 0.55 -0.74 -1.83 -1.08 0.00 0.00 179.45 177.13 3kni s GLU 45 N -4.62 0.21 0.20 3.15 -1.05 -1.18 -4.84 118.70 110.57 3kni s GLU 45 Ca -0.15 0.06 0.03 0.00 -0.15 0.00 0.00 54.97 54.76 3kni s GLU 45 Cb 0.04 -0.36 -0.05 0.00 -0.44 0.00 0.00 34.13 33.32 3kni s GLU 45 CO 0.71 -0.09 0.00 0.00 0.95 0.00 0.00 175.26 176.83 3kni s ALA 46 N 0.76 1.59 0.36 -0.84 0.00 -1.26 0.77 121.76 123.14 3kni s ALA 46 Ca -0.07 -1.69 -0.22 0.00 0.00 0.00 0.00 51.96 49.98 3kni s ALA 46 Cb -0.10 0.53 -0.10 0.00 0.00 0.00 0.00 23.12 23.45 3kni s ALA 46 CO -0.02 -0.29 0.91 0.42 0.00 0.00 0.00 175.76 176.79 3kni s ILE 47 N -3.54 4.36 0.40 0.00 1.09 -0.98 -4.92 121.20 117.61 3kni s ILE 47 Ca 0.27 1.56 0.36 0.00 -1.10 0.00 0.00 60.65 61.74 3kni s ILE 47 Cb 0.06 -3.79 0.53 0.00 -1.06 0.00 0.00 42.46 38.20 3kni s ILE 47 CO 0.07 -0.07 1.15 -2.65 -0.10 0.00 0.00 174.94 173.34 3kni n PRO 48 N 0.00 -0.00 -2.21 2.79 -0.02 -1.26 -1.55 135.00 132.75 3kni n PRO 48 Ca 0.04 0.81 -0.18 0.00 -2.02 0.00 0.00 63.50 62.15 3kni n PRO 48 Cb 0.52 -1.85 0.03 0.00 -0.02 0.00 0.00 33.50 32.18 3kni n PRO 48 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3kni n ARG 49 N -3.49 3.16 -1.28 -0.52 5.12 -1.26 -5.10 116.66 113.29 3kni n ARG 49 Ca 0.33 -4.01 -0.44 0.00 -1.93 0.00 0.00 57.85 51.80 3kni n ARG 49 Cb 1.46 -2.11 -0.02 0.00 -1.16 0.00 0.00 32.46 30.62 3kni n ARG 49 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kni n GLY 50 N -0.68 -1.73 1.69 -0.13 0.00 -0.60 -4.87 105.19 98.87 3kni n GLY 50 Ca 0.35 0.28 -0.16 0.00 0.00 0.00 0.00 46.02 46.48 3kni n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kni n ALA 51 N -0.11 5.02 0.00 4.61 0.00 -1.20 -4.84 120.51 123.99 3kni n ALA 51 Ca 0.16 -3.25 0.00 0.00 0.00 0.00 0.00 53.44 50.34 3kni n ALA 51 Cb 0.25 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.71 3kni n ALA 51 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3kni n VAL 52 N -1.04 0.00 -4.29 0.00 3.14 -1.26 -4.86 118.33 110.02 3kni n VAL 52 Ca 0.45 0.00 -0.15 0.00 -2.96 0.00 0.00 64.34 61.68 3kni n VAL 52 Cb 1.09 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 33.77 3kni n VAL 52 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3kni s LYS 53 N -1.76 1.32 -0.73 1.45 3.01 -1.26 -4.56 119.74 117.21 3kni s LYS 53 Ca 0.00 -1.69 -0.26 0.00 -1.01 0.00 0.00 55.97 53.01 3kni s LYS 53 Cb 0.00 -0.21 -0.01 0.00 -1.01 0.00 0.00 37.83 36.60 3kni s LYS 53 CO 0.00 -0.26 1.70 -1.21 0.51 0.00 0.00 175.35 176.09 3kni s GLU 54 N -4.02 2.84 0.00 1.68 2.02 -1.26 -2.18 118.70 117.78 3kni s GLU 54 Ca 0.34 0.08 0.00 0.00 0.02 0.00 0.00 54.97 55.42 3kni s GLU 54 Cb 0.07 -4.55 0.00 0.00 0.10 0.00 0.00 34.13 29.76 3kni s GLU 54 CO 0.11 -2.66 0.00 0.41 0.02 0.00 0.00 175.26 173.14 3kni n GLY 55 N 5.94 1.07 3.74 -1.39 0.00 -1.19 -5.05 105.19 108.32 3kni n GLY 55 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 3kni n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kni s ASP 56 N -1.07 4.51 -0.27 1.61 -0.00 -0.93 -4.99 116.67 115.54 3kni s ASP 56 Ca 0.00 -0.99 0.17 0.00 -0.00 0.00 0.00 52.55 51.73 3kni s ASP 56 Cb 0.00 -0.53 0.49 0.00 -0.00 0.00 0.00 42.92 42.88 3kni s ASP 56 CO 0.00 -0.49 1.14 0.52 -0.00 0.00 0.00 175.17 176.34 3kni n VAL 57 N -1.23 1.71 -0.97 -1.27 0.31 -1.26 -2.04 118.33 113.58 3kni n VAL 57 Ca -0.01 -3.36 -0.35 0.00 -0.01 0.00 0.00 64.34 60.61 3kni n VAL 57 Cb 0.64 0.41 0.04 0.00 -0.91 0.00 0.00 33.84 34.01 3kni n VAL 57 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 3kni n VAL 58 N -0.63 0.00 -4.19 2.52 0.24 -1.21 -4.25 118.33 110.82 3kni n VAL 58 Ca 0.20 -0.46 -0.31 0.00 -2.04 0.00 0.00 64.34 61.73 3kni n VAL 58 Cb 0.87 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 33.15 3kni n VAL 58 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3kni s LYS 59 N -1.94 2.69 -0.15 7.34 1.02 -1.26 -2.25 119.74 125.20 3kni s LYS 59 Ca 0.39 -0.72 -0.28 0.00 0.02 0.00 0.00 55.97 55.37 3kni s LYS 59 Cb -0.16 -2.62 0.08 0.00 -0.52 0.00 0.00 37.83 34.61 3kni s LYS 59 CO 0.80 0.58 0.74 0.00 -0.92 0.00 0.00 175.35 176.55 3kni s ALA 60 N -1.22 -1.80 0.20 5.17 0.00 0.42 -0.36 121.76 124.16 3kni s ALA 60 Ca 0.23 1.64 -0.11 0.00 0.00 0.00 0.00 51.96 53.73 3kni s ALA 60 Cb -0.12 -0.58 -0.07 0.00 0.00 0.00 0.00 23.12 22.35 3kni s ALA 60 CO 0.15 -0.35 0.54 0.54 0.00 0.00 0.00 175.76 176.65 3kni s VAL 61 N -0.52 4.92 0.30 0.00 0.11 -0.20 -1.32 120.40 123.70 3kni s VAL 61 Ca -0.05 0.56 -0.25 0.00 -2.93 0.00 0.00 61.98 59.30 3kni s VAL 61 Cb -0.02 -3.65 -0.10 0.00 -1.53 0.00 0.00 36.38 31.08 3kni s VAL 61 CO 0.05 0.03 0.91 -0.69 -3.33 0.00 0.00 175.10 172.07 3kni s VAL 62 N -1.71 4.25 0.00 2.04 1.01 -0.37 -0.39 120.40 125.23 3kni s VAL 62 Ca 0.44 1.77 0.00 0.00 0.00 0.00 0.00 61.98 64.19 3kni s VAL 62 Cb -0.12 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.25 3kni s VAL 62 CO 0.21 0.18 0.00 1.33 0.00 0.00 0.00 175.10 176.81 3kni n VAL 63 N 0.65 0.00 -3.81 2.92 0.24 0.28 -3.00 118.33 115.61 3kni n VAL 63 Ca 0.01 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.18 3kni n VAL 63 Cb 0.50 -0.33 -0.13 0.00 -1.47 0.00 0.00 33.84 32.40 3kni n VAL 63 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3kni s ARG 64 N -1.50 0.10 0.09 7.34 0.52 -0.90 -3.83 118.95 120.77 3kni s ARG 64 Ca 0.00 0.19 0.08 0.00 -0.52 0.00 0.00 55.73 55.48 3kni s ARG 64 Cb 0.00 -0.01 -0.03 0.00 0.52 0.00 0.00 34.95 35.43 3kni s ARG 64 CO 0.00 -0.06 -0.21 0.95 0.02 0.00 0.00 175.30 176.00 3kni s THR 65 N 0.36 1.72 0.18 0.02 -4.23 -1.24 0.10 115.64 112.53 3kni s THR 65 Ca -0.03 -1.45 0.04 0.00 -1.18 0.00 0.00 61.69 59.07 3kni s THR 65 Cb -0.04 -1.54 -0.13 0.00 1.34 0.00 0.00 72.50 72.13 3kni s THR 65 CO -0.01 0.02 1.41 0.50 -0.54 0.00 0.00 174.62 175.99 3kni h LYS 66 N 4.30 0.16 -6.05 3.99 1.63 -1.61 -1.17 116.57 117.82 3kni h LYS 66 Ca -0.45 -0.17 -0.57 0.00 -0.85 0.00 0.00 60.65 58.61 3kni h LYS 66 Cb 1.17 0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 32.79 3kni h LYS 66 CO 0.41 0.91 0.43 0.21 -3.45 0.00 0.00 179.45 177.95 3kni s LYS 67 N -3.24 4.35 0.39 1.90 2.47 -1.26 -4.33 119.74 120.01 3kni s LYS 67 Ca -0.02 1.13 -0.24 0.00 -1.56 0.00 0.00 55.97 55.27 3kni s LYS 67 Cb 0.10 -3.55 -0.12 0.00 -1.46 0.00 0.00 37.83 32.80 3kni s LYS 67 CO 0.82 -0.30 0.77 -0.85 0.16 0.00 0.00 175.35 175.95 3kni n GLU 68 N 5.05 0.90 -3.92 4.03 0.00 -1.26 -4.80 120.64 120.64 3kni n GLU 68 Ca 0.05 0.32 -0.35 0.00 0.00 0.00 0.00 57.16 57.19 3kni n GLU 68 Cb 0.49 -1.70 -0.14 0.00 0.00 0.00 0.00 31.44 30.09 3kni n GLU 68 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.13 178.09 3kni s ILE 69 N -1.31 3.03 0.04 3.84 -4.36 -0.67 -4.97 121.20 116.81 3kni s ILE 69 Ca 0.63 -1.11 -0.31 0.00 -0.26 0.00 0.00 60.65 59.60 3kni s ILE 69 Cb -0.62 -2.61 -0.06 0.00 1.25 0.00 0.00 42.46 40.41 3kni s ILE 69 CO 0.58 0.08 1.35 -0.54 0.24 0.00 0.00 174.94 176.65 3kni s LYS 70 N 1.32 4.32 0.51 0.37 1.02 -1.26 -2.87 119.74 123.15 3kni s LYS 70 Ca -0.01 1.95 -0.05 0.00 0.02 0.00 0.00 55.97 57.87 3kni s LYS 70 Cb -0.18 -3.44 -0.02 0.00 -0.52 0.00 0.00 37.83 33.67 3kni s LYS 70 CO -0.03 -0.47 0.82 1.03 -0.92 0.00 0.00 175.35 175.78 3kni s ARG 71 N 1.78 3.36 0.30 1.68 1.81 -1.20 -4.97 118.95 121.71 3kni s ARG 71 Ca 0.63 0.13 0.26 0.00 -1.72 0.00 0.00 55.73 55.02 3kni s ARG 71 Cb -0.32 -2.35 0.84 0.00 -0.45 0.00 0.00 34.95 32.66 3kni s ARG 71 CO 0.28 -0.35 1.75 -1.00 -0.68 0.00 0.00 175.30 175.30 3kni h PRO 72 N 0.11 0.00 -0.19 3.54 0.13 -1.96 -3.12 132.00 130.51 3kni h PRO 72 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3kni h PRO 72 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3kni h PRO 72 CO 0.61 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.98 3kni n ASP 73 N -2.49 1.38 0.00 1.44 5.68 -1.26 -4.90 116.55 116.41 3kni n ASP 73 Ca 0.04 -1.79 0.00 0.00 -0.50 0.00 0.00 54.79 52.54 3kni n ASP 73 Cb 0.38 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 3kni n ASP 73 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kni n GLY 74 N 1.01 0.66 0.00 6.12 0.00 -1.18 -5.05 105.19 106.76 3kni n GLY 74 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3kni n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kni n SER 75 N 0.00 0.00 0.00 1.61 3.41 -1.26 -4.95 113.62 112.43 3kni n SER 75 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3kni n SER 75 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3kni n SER 75 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kni n ALA 76 N -3.00 0.00 -2.42 7.33 0.00 -1.26 -3.27 120.51 117.88 3kni n ALA 76 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 3kni n ALA 76 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 3kni n ALA 76 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3kni s ILE 77 N -1.72 1.87 0.04 0.00 1.10 -1.14 -4.96 121.20 116.38 3kni s ILE 77 Ca 0.00 -2.05 -0.10 0.00 -0.51 0.00 0.00 60.65 57.99 3kni s ILE 77 Cb 0.00 -1.95 0.00 0.00 0.15 0.00 0.00 42.46 40.67 3kni s ILE 77 CO 0.00 -0.40 0.20 -0.60 -2.11 0.00 0.00 174.94 172.03 3kni s ARG 78 N -3.10 0.68 0.06 3.50 3.52 -1.26 -1.67 118.95 120.68 3kni s ARG 78 Ca 0.19 -0.60 0.05 0.00 -0.13 0.00 0.00 55.73 55.25 3kni s ARG 78 Cb -0.04 0.28 -0.03 0.00 -1.56 0.00 0.00 34.95 33.60 3kni s ARG 78 CO 0.08 -0.19 -0.15 -0.06 -0.81 0.00 0.00 175.30 174.16 3kni s PHE 79 N -2.45 1.29 -1.96 5.12 0.40 -0.44 -5.02 117.98 114.93 3kni s PHE 79 Ca -0.06 -0.42 0.20 0.00 -0.60 0.00 0.00 56.93 56.05 3kni s PHE 79 Cb -0.02 -0.74 1.16 0.00 0.51 0.00 0.00 43.02 43.94 3kni s PHE 79 CO -0.03 0.07 1.57 -0.25 0.70 0.00 0.00 175.22 177.27 3kni n ASP 80 N 1.48 0.00 -3.38 1.36 9.92 -1.26 -3.59 116.55 121.08 3kni n ASP 80 Ca -0.20 -0.57 -0.10 0.00 -0.53 0.00 0.00 54.79 53.39 3kni n ASP 80 Cb 0.54 -0.02 -0.02 0.00 -0.64 0.00 0.00 41.12 40.98 3kni n ASP 80 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 3kni s ASP 81 N -2.04 0.24 -0.18 -2.24 3.84 -1.26 -4.96 116.67 110.07 3kni s ASP 81 Ca 0.29 -1.14 -0.02 0.00 -0.00 0.00 0.00 52.55 51.67 3kni s ASP 81 Cb 0.14 0.72 -0.01 0.00 -1.38 0.00 0.00 42.92 42.38 3kni s ASP 81 CO 0.23 -1.41 -0.08 0.20 -0.00 0.00 0.00 175.17 174.12 3kni s ASN 82 N -3.09 4.22 0.12 2.11 0.02 -1.26 -3.45 114.94 113.60 3kni s ASN 82 Ca 0.21 -0.35 0.07 0.00 -1.02 0.00 0.00 52.86 51.78 3kni s ASN 82 Cb -0.03 -1.69 -0.04 0.00 0.02 0.00 0.00 41.25 39.51 3kni s ASN 82 CO 0.13 0.07 -0.18 0.00 0.02 0.00 0.00 177.10 177.14 3kni s ALA 83 N 0.96 1.73 0.03 0.60 0.00 0.11 0.15 121.76 125.34 3kni s ALA 83 Ca -0.01 -1.30 -0.07 0.00 0.00 0.00 0.00 51.96 50.58 3kni s ALA 83 Cb -0.15 -0.18 -0.00 0.00 0.00 0.00 0.00 23.12 22.79 3kni s ALA 83 CO -0.00 0.25 0.14 0.00 0.00 0.00 0.00 175.76 176.15 3kni s ALA 84 N -1.62 -0.22 -0.17 0.00 0.00 0.12 0.10 121.76 119.97 3kni s ALA 84 Ca 0.09 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.66 3kni s ALA 84 Cb -0.08 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.28 3kni s ALA 84 CO 0.04 -0.31 -0.16 0.08 0.00 0.00 0.00 175.76 175.41 3kni s VAL 85 N -2.37 2.51 0.10 0.00 1.01 0.47 -0.58 120.40 121.54 3kni s VAL 85 Ca -0.07 -0.81 -0.31 0.00 0.00 0.00 0.00 61.98 60.80 3kni s VAL 85 Cb -0.02 -2.07 -0.09 0.00 0.00 0.00 0.00 36.38 34.20 3kni s VAL 85 CO -0.03 0.51 1.76 -0.63 0.00 0.00 0.00 175.10 176.71 3kni s ILE 86 N 1.06 2.76 0.12 2.22 1.01 -1.26 -1.03 121.20 126.08 3kni s ILE 86 Ca -0.01 0.24 0.04 0.00 0.00 0.00 0.00 60.65 60.92 3kni s ILE 86 Cb -0.14 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 3kni s ILE 86 CO -0.05 -0.00 0.12 -0.63 0.00 0.00 0.00 174.94 174.38 3kni s ILE 87 N 2.73 4.55 0.29 2.92 -1.09 0.51 -2.75 121.20 128.36 3kni s ILE 87 Ca 0.78 -0.92 -0.01 0.00 -2.23 0.00 0.00 60.65 58.28 3kni s ILE 87 Cb -0.43 -3.26 -0.04 0.00 -1.58 0.00 0.00 42.46 37.14 3kni s ILE 87 CO 0.35 0.00 0.50 0.54 -1.23 0.00 0.00 174.94 175.10 3kni s ASN 88 N -2.78 6.35 0.00 3.58 4.22 0.21 -4.10 114.94 122.44 3kni s ASN 88 Ca 0.30 0.49 0.00 0.00 -2.14 0.00 0.00 52.86 51.51 3kni s ASN 88 Cb -0.11 -2.05 0.00 0.00 1.28 0.00 0.00 41.25 40.37 3kni s ASN 88 CO 0.23 -0.20 0.15 0.59 -2.04 0.00 0.00 177.10 175.83 3kni n ASN 89 N -1.29 0.32 0.00 3.54 4.13 -1.26 -1.20 115.26 119.49 3kni n ASN 89 Ca -0.04 -0.55 0.00 0.00 1.68 0.00 0.00 54.58 55.66 3kni n ASN 89 Cb 0.55 -0.14 0.00 0.00 -1.54 0.00 0.00 39.78 38.65 3kni n ASN 89 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3kni n GLN 90 N 0.40 1.48 -2.45 3.52 3.00 -1.26 -4.99 117.38 117.08 3kni n GLN 90 Ca 0.00 -1.06 0.00 0.00 -0.01 0.00 0.00 57.00 55.93 3kni n GLN 90 Cb 0.07 -0.92 0.00 0.00 0.00 0.00 0.00 30.24 29.40 3kni n GLN 90 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3kni n LEU 91 N -0.29 -1.97 -4.45 1.08 7.99 -0.34 -5.09 117.00 113.92 3kni n LEU 91 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 56.01 55.78 3kni n LEU 91 Cb 0.21 -0.49 -0.10 0.00 -0.11 0.00 0.00 43.42 42.93 3kni n LEU 91 CO 0.00 0.00 -0.27 -1.61 -1.51 0.00 0.00 177.39 174.00 3kni s GLU 92 N -4.89 1.65 -0.15 3.23 2.02 -1.23 -4.93 118.70 114.40 3kni s GLU 92 Ca 0.00 -1.92 -0.08 0.00 0.02 0.00 0.00 54.97 52.99 3kni s GLU 92 Cb 0.00 -0.84 -0.04 0.00 0.10 0.00 0.00 34.13 33.35 3kni s GLU 92 CO 0.00 -0.20 0.13 -1.25 0.02 0.00 0.00 175.26 173.96 3kni s PRO 93 N -3.89 3.72 0.28 0.39 0.05 -1.26 0.68 135.00 134.97 3kni s PRO 93 Ca 0.36 -0.18 0.13 0.00 0.05 0.00 0.00 61.00 61.37 3kni s PRO 93 Cb 0.08 -3.27 0.32 0.00 0.05 0.00 0.00 34.50 31.69 3kni s PRO 93 CO 0.15 0.59 1.57 0.00 0.05 0.00 0.00 177.00 179.35 3kni h ARG 94 N 5.66 0.00 -7.33 4.56 3.08 -1.83 -3.44 114.38 115.07 3kni h ARG 94 Ca -0.49 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.09 3kni h ARG 94 Cb 1.20 0.00 0.16 0.00 0.08 0.00 0.00 29.97 31.40 3kni h ARG 94 CO 0.65 0.59 0.22 0.20 -1.07 0.00 0.00 179.97 180.56 3kni s GLY 95 N -4.47 1.60 -0.06 0.04 0.00 -1.26 -4.91 107.32 98.25 3kni s GLY 95 Ca 0.00 -0.14 0.09 0.00 0.00 0.00 0.00 44.72 44.67 3kni s GLY 95 CO 0.74 0.39 1.05 -1.30 0.00 0.00 0.00 173.10 173.99 3kni n THR 96 N -4.04 1.34 -2.62 0.90 -2.24 -1.26 -4.96 114.28 101.40 3kni n THR 96 Ca 0.06 -1.53 0.00 0.00 -2.27 0.00 0.00 64.05 60.32 3kni n THR 96 Cb 0.56 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 3kni n THR 96 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3kni n ARG 97 N -0.91 0.02 0.00 -0.78 5.12 -1.26 -5.02 116.66 113.83 3kni n ARG 97 Ca 0.08 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.00 3kni n ARG 97 Cb 0.48 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.78 3kni n ARG 97 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 3kni n VAL 98 N 0.00 0.00 -4.19 1.55 3.14 -1.25 -4.63 118.33 112.94 3kni n VAL 98 Ca 0.00 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.04 3kni n VAL 98 Cb 0.00 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 32.70 3kni n VAL 98 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 3kni s PHE 99 N 0.00 3.26 0.00 1.45 0.08 -0.93 -4.04 117.98 117.80 3kni s PHE 99 Ca 0.00 0.23 0.00 0.00 0.12 0.00 0.00 56.93 57.28 3kni s PHE 99 Cb 0.00 -1.78 0.00 0.00 -0.57 0.00 0.00 43.02 40.67 3kni s PHE 99 CO 0.00 0.54 0.00 0.41 -0.10 0.00 0.00 175.22 176.07 3kni n GLY 100 N 1.68 -1.40 3.84 4.36 0.00 -1.26 -4.85 105.19 107.56 3kni n GLY 100 Ca -0.16 -1.58 -0.30 0.00 0.00 0.00 0.00 46.02 43.98 3kni n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kni s PRO 101 N -1.79 2.38 0.07 1.61 0.04 -1.26 -3.97 135.00 132.09 3kni s PRO 101 Ca 0.00 0.54 -0.13 0.00 0.04 0.00 0.00 61.00 61.45 3kni s PRO 101 Cb 0.00 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.60 3kni s PRO 101 CO 0.00 -1.39 0.29 0.14 0.04 0.00 0.00 177.00 176.08 3kni s VAL 102 N -3.26 0.10 0.35 -0.36 -7.23 -1.23 -4.85 120.40 103.92 3kni s VAL 102 Ca 0.60 -0.79 -0.27 0.00 -1.81 0.00 0.00 61.98 59.70 3kni s VAL 102 Cb -0.13 -1.08 -0.09 0.00 0.56 0.00 0.00 36.38 35.64 3kni s VAL 102 CO 0.53 -0.44 1.20 0.00 -0.31 0.00 0.00 175.10 176.08 3kni s ALA 103 N -3.13 3.33 -1.81 1.32 0.00 -1.10 -2.50 121.76 117.87 3kni s ALA 103 Ca -0.01 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.00 3kni s ALA 103 Cb 0.01 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.73 3kni s ALA 103 CO -0.07 -0.48 0.29 2.89 0.00 0.00 0.00 175.76 178.39 3kni n ARG 104 N 0.58 0.32 0.16 0.00 1.85 -1.21 -1.08 116.66 117.28 3kni n ARG 104 Ca 0.02 0.00 0.03 0.00 -1.00 0.00 0.00 57.85 56.90 3kni n ARG 104 Cb 0.44 -1.03 0.21 0.00 -1.05 0.00 0.00 32.46 31.04 3kni n ARG 104 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 3kni h GLU 105 N 0.13 0.00 0.12 2.89 3.07 -1.90 -3.09 114.58 115.80 3kni h GLU 105 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 3kni h GLU 105 Cb 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 3kni h GLU 105 CO 0.00 0.47 -0.06 -0.07 -1.40 0.00 0.00 179.01 177.96 3kni h LEU 106 N 0.00 -0.14 0.00 1.33 3.38 -1.47 -2.11 115.31 116.29 3kni h LEU 106 Ca -0.00 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3kni h LEU 106 Cb 1.10 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3kni h LEU 106 CO 0.06 0.16 0.15 -1.14 0.09 0.00 0.00 178.44 177.76 3kni n ARG 107 N -5.03 0.00 -0.07 1.13 0.63 -1.17 -1.46 116.66 110.69 3kni n ARG 107 Ca -0.09 0.21 -0.06 0.00 -0.92 0.00 0.00 57.85 57.00 3kni n ARG 107 Cb 0.20 -1.65 -0.02 0.00 0.45 0.00 0.00 32.46 31.44 3kni n ARG 107 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3kni n GLU 108 N -1.15 0.42 0.00 -0.14 1.02 -0.83 -4.24 120.64 115.71 3kni n GLU 108 Ca 0.00 0.30 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 3kni n GLU 108 Cb 0.15 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 3kni n GLU 108 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3kni n LYS 109 N -4.18 0.00 -2.74 3.49 4.76 -0.53 -4.60 118.16 114.35 3kni n LYS 109 Ca -0.09 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.21 3kni n LYS 109 Cb 0.35 -0.94 0.02 0.00 -1.84 0.00 0.00 35.03 32.62 3kni n LYS 109 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kni n GLY 110 N 0.37 -0.02 2.67 0.72 0.00 -1.17 -4.96 105.19 102.80 3kni n GLY 110 Ca 0.00 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 3kni n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kni n PHE 111 N -3.99 3.24 -0.31 1.61 3.72 -0.95 -4.86 117.46 115.93 3kni n PHE 111 Ca -0.06 -2.80 0.24 0.00 -0.05 0.00 0.00 57.45 54.78 3kni n PHE 111 Cb 0.57 -0.55 0.54 0.00 -0.94 0.00 0.00 39.48 39.10 3kni n PHE 111 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 3kni h MET 112 N 2.78 0.33 -0.04 -1.08 2.86 -1.87 -2.97 114.93 114.94 3kni h MET 112 Ca 0.41 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 58.01 3kni h MET 112 Cb 0.54 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.12 3kni h MET 112 CO 1.09 0.22 -0.08 0.87 1.06 0.00 0.00 176.91 180.08 3kni h LYS 113 N 0.34 0.12 0.15 1.72 1.57 -1.96 -2.22 116.57 116.29 3kni h LYS 113 Ca 0.57 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 59.27 3kni h LYS 113 Cb 1.56 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.88 3kni h LYS 113 CO -0.25 0.66 -0.16 0.82 -0.57 0.00 0.00 179.45 179.96 3kni h ILE 114 N -0.41 0.00 0.00 1.86 1.08 -1.94 -0.51 117.51 117.59 3kni h ILE 114 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 3kni h ILE 114 Cb 0.66 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.41 3kni h ILE 114 CO 0.02 0.00 0.00 0.52 -0.69 0.00 0.00 178.15 178.00 3kni n VAL 115 N -3.26 0.00 0.25 1.67 0.31 -1.16 0.70 118.33 116.84 3kni n VAL 115 Ca -0.04 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.19 3kni n VAL 115 Cb 0.14 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.02 3kni n VAL 115 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3kni h SER 116 N 0.00 -0.59 0.16 4.52 4.64 -0.73 -3.27 113.55 118.29 3kni h SER 116 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3kni h SER 116 Cb 0.00 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3kni h SER 116 CO 0.00 -0.18 0.00 0.25 -0.87 0.00 0.00 176.83 176.03 3kni h LEU 117 N -1.17 0.00 -9.24 5.97 6.46 0.19 -3.41 115.31 114.11 3kni h LEU 117 Ca -0.07 0.00 -0.56 0.00 -0.12 0.00 0.00 57.88 57.13 3kni h LEU 117 Cb 0.53 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.41 3kni h LEU 117 CO 0.12 0.00 0.49 0.00 -0.62 0.00 0.00 178.44 178.43 3kni s ALA 118 N -3.78 3.43 -0.77 1.25 0.00 0.42 -4.42 121.76 117.89 3kni s ALA 118 Ca -0.02 0.27 -0.25 0.00 0.00 0.00 0.00 51.96 51.95 3kni s ALA 118 Cb 0.09 -3.35 -0.06 0.00 0.00 0.00 0.00 23.12 19.81 3kni s ALA 118 CO 0.33 -0.58 2.04 -1.25 0.00 0.00 0.00 175.76 176.30 3kni s PRO 119 N 1.96 2.37 0.00 0.00 0.04 -1.25 -4.51 135.00 133.61 3kni s PRO 119 Ca 0.45 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.73 3kni s PRO 119 Cb -0.18 -4.79 0.00 0.00 0.04 0.00 0.00 34.50 29.57 3kni s PRO 119 CO 0.17 -3.38 0.00 -1.91 0.04 0.00 0.00 177.00 171.92 3kni n GLU 120 N 8.95 0.00 -3.26 4.56 2.13 -1.26 -4.19 120.64 127.57 3kni n GLU 120 Ca 0.36 0.21 -0.46 0.00 0.66 0.00 0.00 57.16 57.92 3kni n GLU 120 Cb 0.48 -0.25 -0.02 0.00 0.27 0.00 0.00 31.44 31.92 3kni n GLU 120 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3kni s VAL 121 N 0.00 5.55 -2.28 6.31 1.01 -1.26 -3.52 120.40 126.21 3kni s VAL 121 Ca 0.00 -2.54 0.30 0.00 0.00 0.00 0.00 61.98 59.74 3kni s VAL 121 Cb 0.00 -4.55 0.71 0.00 0.00 0.00 0.00 36.38 32.53 3kni s VAL 121 CO 0.00 -1.14 1.96 0.18 0.00 0.00 0.00 175.10 176.09