#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kni n LEU 6 N 0.00 0.00 -0.08 0.64 -0.00 -1.26 -5.08 117.00 111.22 3kni n LEU 6 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.91 3kni n LEU 6 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 3kni n LEU 6 CO 0.00 -0.18 -0.44 -1.14 -0.00 0.00 0.00 177.39 175.63 3kni n ARG 7 N -0.35 0.49 -2.10 1.47 3.00 -1.26 -4.61 116.66 113.30 3kni n ARG 7 Ca 0.00 0.52 -0.35 0.00 -0.00 0.00 0.00 57.85 58.01 3kni n ARG 7 Cb 0.00 -1.69 -0.04 0.00 0.00 0.00 0.00 32.46 30.74 3kni n ARG 7 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 3kni s PRO 8 N -2.32 2.68 0.00 -0.14 0.04 -1.26 -3.49 135.00 130.51 3kni s PRO 8 Ca -0.20 0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.05 3kni s PRO 8 Cb 0.04 -4.61 0.00 0.00 0.04 0.00 0.00 34.50 29.96 3kni s PRO 8 CO 0.33 -2.87 0.00 0.27 0.04 0.00 0.00 177.00 174.78 3kni n ASN 9 N 12.73 0.00 -0.25 6.66 0.23 -1.26 -5.04 115.26 128.34 3kni n ASN 9 Ca 0.26 0.00 -0.12 0.00 -0.53 0.00 0.00 54.58 54.19 3kni n ASN 9 Cb 0.50 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.11 3kni n ASN 9 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 3kni h PRO 10 N 0.00 -0.20 -1.05 -0.53 0.11 -1.85 -3.45 132.00 125.03 3kni h PRO 10 Ca 0.00 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.12 3kni h PRO 10 Cb 0.00 0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.16 3kni h PRO 10 CO 0.00 -0.13 0.00 0.41 -0.21 0.00 0.00 178.00 178.07 3kni n GLY 11 N -1.30 0.00 3.42 -0.55 0.00 -1.26 -4.67 105.19 100.83 3kni n GLY 11 Ca -0.01 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.55 3kni n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kni n ALA 12 N 1.50 -2.29 -2.06 4.61 0.00 -1.26 -4.89 120.51 116.11 3kni n ALA 12 Ca 0.00 0.36 -0.41 0.00 0.00 0.00 0.00 53.44 53.39 3kni n ALA 12 Cb 0.00 -1.68 -0.05 0.00 0.00 0.00 0.00 19.45 17.72 3kni n ALA 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kni s ASN 13 N -0.92 7.54 0.00 0.00 6.03 -1.26 -4.80 114.94 121.53 3kni s ASN 13 Ca 0.62 1.84 0.00 0.00 -1.03 0.00 0.00 52.86 54.29 3kni s ASN 13 Cb -0.81 -2.59 0.00 0.00 -3.03 0.00 0.00 41.25 34.82 3kni s ASN 13 CO 0.58 0.03 0.00 0.29 -2.03 0.00 0.00 177.10 175.97 3kni n LYS 14 N 2.24 0.00 -3.57 3.55 5.02 -1.26 -4.46 118.16 119.69 3kni n LYS 14 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 3kni n LYS 14 Cb 0.48 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.42 3kni n LYS 14 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3kni s ARG 15 N 0.00 2.75 -0.11 1.97 0.52 -1.26 -4.71 118.95 118.11 3kni s ARG 15 Ca 0.00 -2.21 0.03 0.00 -0.52 0.00 0.00 55.73 53.03 3kni s ARG 15 Cb 0.00 -3.96 -0.09 0.00 0.52 0.00 0.00 34.95 31.42 3kni s ARG 15 CO 0.00 -1.21 -0.06 2.89 0.02 0.00 0.00 175.30 176.95 3kni n ARG 16 N 4.16 1.05 -3.70 3.54 -4.01 -1.26 -5.05 116.66 111.39 3kni n ARG 16 Ca 0.03 0.04 -0.21 0.00 -1.04 0.00 0.00 57.85 56.67 3kni n ARG 16 Cb 0.41 -1.24 -0.06 0.00 -3.04 0.00 0.00 32.46 28.54 3kni n ARG 16 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76 3kni n LYS 17 N -2.67 -0.91 0.00 2.89 4.81 -1.26 -4.80 118.16 116.22 3kni n LYS 17 Ca -0.19 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.29 3kni n LYS 17 Cb 0.75 -2.18 0.00 0.00 0.02 0.00 0.00 35.03 33.62 3kni n LYS 17 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3kni n ARG 18 N -3.34 0.00 -2.38 1.64 5.12 -1.26 -4.26 116.66 112.19 3kni n ARG 18 Ca -0.20 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.35 3kni n ARG 18 Cb 0.44 -1.43 -0.04 0.00 -1.16 0.00 0.00 32.46 30.28 3kni n ARG 18 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3kni s VAL 19 N -1.96 3.71 0.00 1.55 -7.23 -1.26 -4.93 120.40 110.28 3kni s VAL 19 Ca 0.00 -0.37 0.00 0.00 -1.81 0.00 0.00 61.98 59.80 3kni s VAL 19 Cb 0.00 -4.66 0.00 0.00 0.56 0.00 0.00 36.38 32.28 3kni s VAL 19 CO 0.00 -1.57 0.00 0.61 -0.31 0.00 0.00 175.10 173.83 3kni n GLY 20 N 6.52 -0.70 3.24 2.32 0.00 -1.26 -5.02 105.19 110.29 3kni n GLY 20 Ca 0.29 -1.67 -0.37 0.00 0.00 0.00 0.00 46.02 44.27 3kni n GLY 20 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kni s ARG 21 N -0.77 2.54 -0.27 1.61 3.52 -1.26 -5.06 118.95 119.26 3kni s ARG 21 Ca 0.00 -1.25 -0.08 0.00 -0.13 0.00 0.00 55.73 54.27 3kni s ARG 21 Cb 0.00 -3.43 -0.02 0.00 -1.56 0.00 0.00 34.95 29.94 3kni s ARG 21 CO 0.00 -0.70 0.09 0.20 -0.81 0.00 0.00 175.30 174.08 3kni s GLY 22 N 1.45 1.78 -0.86 8.12 0.00 -1.26 -5.07 107.32 111.49 3kni s GLY 22 Ca -0.02 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 43.47 3kni s GLY 22 CO 0.02 0.58 0.87 -1.05 0.00 0.00 0.00 173.10 173.52 3kni n PRO 23 N 4.92 2.87 -3.66 2.90 -0.02 -1.26 -4.82 135.00 135.93 3kni n PRO 23 Ca -0.15 -4.54 -0.25 0.00 -2.02 0.00 0.00 63.50 56.53 3kni n PRO 23 Cb 0.50 -2.39 -0.17 0.00 -0.02 0.00 0.00 33.50 31.43 3kni n PRO 23 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3kni s GLY 24 N -1.02 0.44 0.00 -1.23 0.00 -1.26 -4.75 107.32 99.50 3kni s GLY 24 Ca 0.31 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.69 3kni s GLY 24 CO -0.07 1.56 0.00 -1.14 0.00 0.00 0.00 173.10 173.46 3kni n SER 25 N 5.21 0.00 0.00 1.64 3.41 -1.26 -4.91 113.62 117.71 3kni n SER 25 Ca -0.07 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.61 3kni n SER 25 Cb 0.49 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.79 3kni n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kni n GLY 26 N -1.56 -0.86 3.07 5.00 0.00 -1.26 -3.69 105.19 105.88 3kni n GLY 26 Ca 0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 3kni n GLY 26 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3kni s HIS 27 N -2.72 -0.32 0.00 1.61 5.65 -1.26 -4.84 115.29 113.40 3kni s HIS 27 Ca 0.12 0.77 0.00 0.00 0.25 0.00 0.00 55.06 56.20 3kni s HIS 27 Cb 0.10 0.06 0.00 0.00 -1.18 0.00 0.00 32.58 31.56 3kni s HIS 27 CO 0.24 -0.22 0.00 0.41 -0.65 0.00 0.00 174.74 174.53 3kni n GLY 28 N 4.00 1.63 2.77 1.59 0.00 -1.26 -4.81 105.19 109.11 3kni n GLY 28 Ca -0.23 -0.81 -0.28 0.00 0.00 0.00 0.00 46.02 44.70 3kni n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kni s LYS 29 N 0.00 1.86 0.00 1.61 3.01 -1.26 -4.96 119.74 120.00 3kni s LYS 29 Ca 0.00 -2.75 0.00 0.00 -1.01 0.00 0.00 55.97 52.21 3kni s LYS 29 Cb 0.00 -2.80 0.00 0.00 -1.01 0.00 0.00 37.83 34.02 3kni s LYS 29 CO 0.00 -1.26 0.00 2.41 0.51 0.00 0.00 175.35 177.01 3kni n THR 30 N 2.59 0.00 0.00 2.17 -1.04 -1.24 -4.15 114.28 112.61 3kni n THR 30 Ca 0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 3kni n THR 30 Cb 0.37 -0.17 0.00 0.00 -1.82 0.00 0.00 70.33 68.71 3kni n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kni n ALA 31 N -3.00 0.00 0.20 2.41 0.00 -1.26 0.47 120.51 119.33 3kni n ALA 31 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 3kni n ALA 31 Cb 0.00 0.00 0.42 0.00 0.00 0.00 0.00 19.45 19.87 3kni n ALA 31 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3kni h THR 32 N 0.00 1.10 -1.92 0.00 1.35 -1.90 -3.49 112.91 108.04 3kni h THR 32 Ca 0.00 -1.18 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 3kni h THR 32 Cb 0.00 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 3kni h THR 32 CO 0.00 0.32 -0.06 -1.14 -0.25 0.00 0.00 175.52 174.39 3kni n ARG 33 N -3.95 -0.34 -0.17 4.72 0.63 0.18 -4.80 116.66 112.93 3kni n ARG 33 Ca -0.02 0.72 0.00 0.00 -0.92 0.00 0.00 57.85 57.63 3kni n ARG 33 Cb 0.39 -0.64 0.00 0.00 0.45 0.00 0.00 32.46 32.66 3kni n ARG 33 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3kni n GLY 34 N 0.12 0.00 0.00 5.14 0.00 -1.26 -4.36 105.19 104.83 3kni n GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kni n GLY 34 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3kni n HIS 35 N 0.30 0.00 -2.45 1.61 8.25 -1.26 -5.10 115.22 116.57 3kni n HIS 35 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3kni n HIS 35 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3kni n HIS 35 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3kni n LYS 36 N 0.39 0.00 0.00 -0.41 5.02 -1.26 -4.90 118.16 117.00 3kni n LYS 36 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3kni n LYS 36 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3kni n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kni n GLY 37 N -0.19 0.51 0.00 0.72 0.00 -1.26 -4.99 105.19 99.99 3kni n GLY 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kni n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kni n GLN 38 N 0.00 0.00 -1.88 1.61 10.64 -1.26 -5.16 117.38 121.33 3kni n GLN 38 Ca 0.00 0.00 -0.01 0.00 -1.83 0.00 0.00 57.00 55.16 3kni n GLN 38 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 3kni n GLN 38 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 3kni n LYS 39 N 0.00 0.15 -4.15 2.61 4.76 -1.26 -5.02 118.16 115.25 3kni n LYS 39 Ca 0.00 -0.33 -0.30 0.00 -2.87 0.00 0.00 58.31 54.81 3kni n LYS 39 Cb 0.00 0.44 -0.05 0.00 -1.84 0.00 0.00 35.03 33.58 3kni n LYS 39 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3kni n SER 40 N -0.77 -0.65 -2.72 4.39 2.88 -1.26 -4.88 113.62 110.61 3kni n SER 40 Ca -0.01 -1.10 -0.04 0.00 -1.33 0.00 0.00 58.87 56.39 3kni n SER 40 Cb 0.12 -2.49 0.02 0.00 -0.75 0.00 0.00 64.21 61.12 3kni n SER 40 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3kni n ARG 41 N -4.43 0.38 -2.70 -1.46 3.00 -1.26 -4.71 116.66 105.48 3kni n ARG 41 Ca -0.21 -1.50 -0.06 0.00 -0.01 0.00 0.00 57.85 56.06 3kni n ARG 41 Cb 0.64 -0.83 0.09 0.00 0.00 0.00 0.00 32.46 32.35 3kni n ARG 41 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3kni n SER 42 N 2.65 -1.80 -0.51 0.55 3.41 -1.26 -4.97 113.62 111.69 3kni n SER 42 Ca 0.14 -2.56 0.00 0.00 -0.26 0.00 0.00 58.87 56.20 3kni n SER 42 Cb 0.60 1.26 0.00 0.00 -0.26 0.00 0.00 64.21 65.82 3kni n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kni n GLY 43 N -0.23 0.41 0.00 5.00 0.00 -1.26 -5.07 105.19 104.04 3kni n GLY 43 Ca -0.06 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.42 3kni n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kni n GLY 44 N -0.31 1.93 3.14 -0.02 0.00 -1.26 -5.11 105.19 103.55 3kni n GLY 44 Ca 0.00 -1.44 -0.12 0.00 0.00 0.00 0.00 46.02 44.47 3kni n GLY 44 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kni s LEU 45 N 0.00 2.42 0.27 0.99 0.20 -1.26 -4.36 118.68 116.93 3kni s LEU 45 Ca 0.00 -0.85 -0.01 0.00 0.69 0.00 0.00 54.13 53.97 3kni s LEU 45 Cb 0.00 -0.12 0.59 0.00 -0.43 0.00 0.00 46.19 46.23 3kni s LEU 45 CO 0.00 -0.36 1.70 0.50 -0.29 0.00 0.00 176.35 177.90 3kni h LYS 46 N 3.50 0.36 0.00 1.98 1.63 -1.99 -3.46 116.57 118.59 3kni h LYS 46 Ca -0.36 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.42 3kni h LYS 46 Cb 1.18 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.73 3kni h LYS 46 CO 0.56 0.24 0.00 -3.47 -3.45 0.00 0.00 179.45 173.33 3kni n ASP 47 N -5.07 0.00 -0.10 4.20 -0.08 -1.26 -5.04 116.55 109.20 3kni n ASP 47 Ca 0.18 0.00 -0.21 0.00 -1.51 0.00 0.00 54.79 53.25 3kni n ASP 47 Cb 0.54 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.93 3kni n ASP 47 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3kni n PRO 48 N -0.44 0.45 0.00 -0.67 -0.04 -1.26 -5.05 135.00 127.99 3kni n PRO 48 Ca 0.00 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 3kni n PRO 48 Cb 0.00 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 3kni n PRO 48 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3kni n ARG 49 N -4.01 0.00 -0.01 0.54 0.63 -1.26 0.13 116.66 112.69 3kni n ARG 49 Ca -0.39 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.36 3kni n ARG 49 Cb 0.75 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 33.52 3kni n ARG 49 CO 0.00 0.00 0.00 0.07 -2.51 0.00 0.00 177.63 175.19 3kni h ARG 50 N 0.00 0.17 -7.28 -0.14 0.11 -2.01 -3.49 114.38 101.75 3kni h ARG 50 Ca 0.00 -0.29 -0.51 0.00 0.10 0.00 0.00 59.98 59.28 3kni h ARG 50 Cb 0.00 0.11 0.18 0.00 1.11 0.00 0.00 29.97 31.37 3kni h ARG 50 CO 0.00 1.14 0.23 -0.06 0.10 0.00 0.00 179.97 181.38 3kni s PHE 51 N -2.36 1.83 0.00 4.08 0.08 0.36 -4.61 117.98 117.37 3kni s PHE 51 Ca -0.17 1.69 0.00 0.00 0.12 0.00 0.00 56.93 58.57 3kni s PHE 51 Cb 0.00 -3.26 0.00 0.00 -0.57 0.00 0.00 43.02 39.19 3kni s PHE 51 CO 0.76 -2.64 0.00 0.39 -0.10 0.00 0.00 175.22 173.63 3kni n GLU 52 N -4.11 0.00 0.00 0.44 -0.58 -1.26 -4.75 120.64 110.37 3kni n GLU 52 Ca 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 3kni n GLU 52 Cb 0.52 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.39 3kni n GLU 52 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kni n GLY 53 N -0.98 3.29 0.00 0.62 0.00 -1.26 -4.40 105.19 102.46 3kni n GLY 53 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 3kni n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kni n GLY 54 N 0.00 2.00 0.00 -0.02 0.00 -1.26 -5.05 105.19 100.85 3kni n GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kni n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kni n ARG 55 N -0.80 0.00 -0.29 1.61 1.74 -1.26 -4.94 116.66 112.72 3kni n ARG 55 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3kni n ARG 55 Cb 0.00 -0.22 0.00 0.00 -1.02 0.00 0.00 32.46 31.22 3kni n ARG 55 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3kni n SER 56 N -0.33 0.00 0.00 0.55 7.64 -1.26 -5.11 113.62 115.11 3kni n SER 56 Ca 0.00 -0.67 0.00 0.00 1.01 0.00 0.00 58.87 59.21 3kni n SER 56 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3kni n SER 56 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3kni n THR 57 N 0.00 0.00 -2.69 0.44 -2.24 -1.26 -1.98 114.28 106.55 3kni n THR 57 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 3kni n THR 57 Cb 0.33 0.00 0.12 0.00 -2.10 0.00 0.00 70.33 68.68 3kni n THR 57 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3kni n THR 58 N 0.00 0.16 -0.59 4.28 -1.04 -1.26 -4.88 114.28 110.95 3kni n THR 58 Ca 0.00 -1.41 0.09 0.00 -2.04 0.00 0.00 64.05 60.69 3kni n THR 58 Cb 0.00 1.01 0.33 0.00 -1.82 0.00 0.00 70.33 69.85 3kni n THR 58 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3kni n LEU 59 N -1.13 4.48 0.20 -4.42 7.94 -0.84 -4.35 117.00 118.89 3kni n LEU 59 Ca -0.10 -2.40 0.09 0.00 -1.11 0.00 0.00 56.01 52.49 3kni n LEU 59 Cb 0.86 -0.54 0.16 0.00 0.53 0.00 0.00 43.42 44.43 3kni n LEU 59 CO -0.10 0.82 0.71 0.24 -1.11 0.00 0.00 177.39 177.95 3kni h MET 60 N 3.79 0.00 -6.81 1.96 2.86 -1.90 -3.45 114.93 111.37 3kni h MET 60 Ca 0.00 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 57.12 3kni h MET 60 Cb 1.35 0.00 0.04 0.00 0.06 0.00 0.00 31.60 33.05 3kni h MET 60 CO 0.19 0.18 0.59 -0.98 1.06 0.00 0.00 176.91 177.94 3kni s ARG 61 N -3.17 4.46 0.50 1.72 1.04 -1.26 -5.02 118.95 117.21 3kni s ARG 61 Ca 0.05 2.04 -0.02 0.00 -1.04 0.00 0.00 55.73 56.77 3kni s ARG 61 Cb 0.06 -3.14 0.00 0.00 -2.04 0.00 0.00 34.95 29.84 3kni s ARG 61 CO 0.69 -0.07 0.75 -0.48 -0.04 0.00 0.00 175.30 176.15 3kni s LEU 62 N -1.32 3.50 -0.65 -1.89 2.34 -1.26 -5.02 118.68 114.38 3kni s LEU 62 Ca 0.49 0.44 -0.02 0.00 0.06 0.00 0.00 54.13 55.10 3kni s LEU 62 Cb -0.36 -3.31 0.36 0.00 -0.56 0.00 0.00 46.19 42.32 3kni s LEU 62 CO 0.46 -0.82 2.10 -0.81 -1.06 0.00 0.00 176.35 176.21 3kni n PRO 63 N -2.25 2.56 -0.60 1.48 -0.04 -1.26 -4.81 135.00 130.07 3kni n PRO 63 Ca 0.02 -3.03 0.45 0.00 -0.04 0.00 0.00 63.50 60.90 3kni n PRO 63 Cb 0.58 -2.18 0.70 0.00 -0.04 0.00 0.00 33.50 32.56 3kni n PRO 63 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3kni n LYS 64 N -0.48 -0.00 -1.50 0.54 0.00 -1.26 -4.13 118.16 111.33 3kni n LYS 64 Ca 0.55 0.94 -0.37 0.00 0.00 0.00 0.00 58.31 59.42 3kni n LYS 64 Cb 0.52 -2.15 -0.16 0.00 0.00 0.00 0.00 35.03 33.24 3kni n LYS 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3kni n ARG 65 N -3.68 0.06 -0.46 1.64 1.74 -1.26 -4.82 116.66 109.88 3kni n ARG 65 Ca 0.38 -0.01 -0.04 0.00 -0.77 0.00 0.00 57.85 57.41 3kni n ARG 65 Cb 1.72 -1.53 0.03 0.00 -1.02 0.00 0.00 32.46 31.66 3kni n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kni n GLY 66 N 6.30 -0.72 3.11 -0.13 0.00 -1.26 -4.69 105.19 107.80 3kni n GLY 66 Ca 0.65 -1.75 -0.19 0.00 0.00 0.00 0.00 46.02 44.73 3kni n GLY 66 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3kni n MET 67 N -1.41 -2.17 -0.00 1.61 0.00 -1.26 -4.90 117.12 108.98 3kni n MET 67 Ca 0.03 1.83 0.08 0.00 0.00 0.00 0.00 57.70 59.63 3kni n MET 67 Cb 0.09 -3.94 -0.10 0.00 0.00 0.00 0.00 33.22 29.27 3kni n MET 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 3kni n GLN 68 N -0.05 1.35 0.00 2.12 3.00 -1.26 -5.06 117.38 117.48 3kni n GLN 68 Ca 0.02 -0.05 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 3kni n GLN 68 Cb 0.51 -1.29 0.00 0.00 0.00 0.00 0.00 30.24 29.45 3kni n GLN 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3kni n GLY 69 N 1.44 4.24 0.00 1.08 0.00 -1.26 -5.05 105.19 105.64 3kni n GLY 69 Ca 0.01 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.74 3kni n GLY 69 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3kni n GLN 70 N -1.14 1.90 -0.10 1.61 -0.06 -1.26 -5.05 117.38 113.29 3kni n GLN 70 Ca 0.00 0.00 -0.17 0.00 -2.00 0.00 0.00 57.00 54.83 3kni n GLN 70 Cb 0.00 0.00 -0.08 0.00 -4.06 0.00 0.00 30.24 26.10 3kni n GLN 70 CO 0.00 0.00 0.00 1.55 -0.20 0.00 0.00 177.06 178.41 3kni n VAL 71 N 0.00 1.11 0.39 1.69 3.14 -1.26 -4.54 118.33 118.86 3kni n VAL 71 Ca 0.00 -0.36 0.04 0.00 -2.96 0.00 0.00 64.34 61.06 3kni n VAL 71 Cb 0.00 -1.43 0.21 0.00 -1.06 0.00 0.00 33.84 31.56 3kni n VAL 71 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 3kni n PRO 72 N -3.42 0.10 0.00 1.45 -0.02 -1.26 -4.96 135.00 126.89 3kni n PRO 72 Ca -0.37 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 3kni n PRO 72 Cb 0.83 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.81 3kni n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kni n GLY 73 N -0.56 -2.99 3.26 -1.23 0.00 -1.26 -5.02 105.19 97.39 3kni n GLY 73 Ca 0.04 -2.15 -0.35 0.00 0.00 0.00 0.00 46.02 43.56 3kni n GLY 73 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3kni n GLU 74 N -0.17 -0.12 -3.32 1.61 0.28 -1.26 -4.76 120.64 112.90 3kni n GLU 74 Ca 0.00 -0.01 -0.46 0.00 -0.16 0.00 0.00 57.16 56.53 3kni n GLU 74 Cb 0.00 -1.51 -0.05 0.00 1.43 0.00 0.00 31.44 31.31 3kni n GLU 74 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 3kni s ILE 75 N -2.19 5.21 -0.36 3.84 1.09 -1.26 -5.00 121.20 122.52 3kni s ILE 75 Ca 0.51 -1.44 -0.42 0.00 -1.10 0.00 0.00 60.65 58.21 3kni s ILE 75 Cb -0.22 -4.32 -0.17 0.00 -1.06 0.00 0.00 42.46 36.70 3kni s ILE 75 CO 0.72 -0.84 1.80 1.17 -0.10 0.00 0.00 174.94 177.69 3kni n LYS 76 N 5.26 0.75 -4.04 2.79 4.81 -1.26 -4.92 118.16 121.54 3kni n LYS 76 Ca -0.14 0.27 -0.12 0.00 -0.87 0.00 0.00 58.31 57.45 3kni n LYS 76 Cb 0.40 -1.93 -0.12 0.00 0.02 0.00 0.00 35.03 33.40 3kni n LYS 76 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 3kni s ARG 77 N 3.94 0.45 0.34 1.64 1.70 -1.26 -5.12 118.95 120.65 3kni s ARG 77 Ca 1.03 -0.66 -0.28 0.00 -0.47 0.00 0.00 55.73 55.35 3kni s ARG 77 Cb -1.20 -0.19 -0.12 0.00 -0.57 0.00 0.00 34.95 32.88 3kni s ARG 77 CO 0.68 0.03 1.40 -0.35 -1.08 0.00 0.00 175.30 175.98 3kni n PRO 78 N 1.64 2.39 -4.47 3.89 -0.04 -1.26 -4.99 135.00 132.16 3kni n PRO 78 Ca -0.22 0.84 -0.25 0.00 -0.04 0.00 0.00 63.50 63.83 3kni n PRO 78 Cb 0.55 -2.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.41 3kni n PRO 78 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 3kni s ARG 79 N -1.75 1.82 -0.13 0.54 1.70 -1.26 -5.09 118.95 114.79 3kni s ARG 79 Ca 0.56 -1.80 -0.01 0.00 -0.47 0.00 0.00 55.73 54.01 3kni s ARG 79 Cb -0.53 -1.80 0.04 0.00 -0.57 0.00 0.00 34.95 32.09 3kni s ARG 79 CO 0.61 0.24 -0.03 0.71 -1.08 0.00 0.00 175.30 175.75 3kni s TYR 80 N -2.53 1.28 0.48 5.89 2.02 -1.26 -3.06 117.35 120.17 3kni s TYR 80 Ca 0.32 -0.72 -0.04 0.00 -0.37 0.00 0.00 57.07 56.25 3kni s TYR 80 Cb -0.02 -1.12 -0.03 0.00 -0.40 0.00 0.00 41.96 40.40 3kni s TYR 80 CO 0.16 -0.51 0.77 -1.14 -1.57 0.00 0.00 175.55 173.26 3kni s GLN 81 N 1.77 3.39 0.10 -0.62 0.74 -0.70 -4.92 119.66 119.42 3kni s GLN 81 Ca 0.03 0.05 0.07 0.00 0.05 0.00 0.00 55.36 55.56 3kni s GLN 81 Cb -0.14 -2.40 -0.03 0.00 1.10 0.00 0.00 33.01 31.53 3kni s GLN 81 CO -0.07 -0.26 -0.18 0.20 -0.55 0.00 0.00 175.29 174.43 3kni s GLY 82 N -4.14 1.15 -0.22 2.59 0.00 -1.26 -1.62 107.32 103.82 3kni s GLY 82 Ca 0.48 -1.22 -0.04 0.00 0.00 0.00 0.00 44.72 43.94 3kni s GLY 82 CO 0.43 -1.24 0.29 0.54 0.00 0.00 0.00 173.10 173.13 3kni s VAL 83 N -1.37 -0.45 0.36 1.40 0.11 -0.85 -4.92 120.40 114.68 3kni s VAL 83 Ca 0.06 -0.07 -0.26 0.00 -2.93 0.00 0.00 61.98 58.77 3kni s VAL 83 Cb -0.09 -0.72 -0.12 0.00 -1.53 0.00 0.00 36.38 33.92 3kni s VAL 83 CO 0.04 -0.15 1.06 0.59 -3.33 0.00 0.00 175.10 173.31 3kni n ASN 84 N 5.34 1.57 0.22 3.54 5.03 -1.24 -3.09 115.26 126.63 3kni n ASN 84 Ca -0.05 1.12 0.15 0.00 0.87 0.00 0.00 54.58 56.67 3kni n ASN 84 Cb 0.50 -1.36 0.75 0.00 -1.02 0.00 0.00 39.78 38.65 3kni n ASN 84 CO 0.00 0.00 0.00 0.17 -1.83 0.00 0.00 177.26 175.60 3kni h LEU 85 N 1.88 0.00 -1.17 3.41 -0.00 -1.44 0.14 115.31 118.13 3kni h LEU 85 Ca -0.43 0.00 0.18 0.00 -0.00 0.00 0.00 57.88 57.63 3kni h LEU 85 Cb 1.33 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.90 3kni h LEU 85 CO 0.59 0.00 0.61 0.50 -0.00 0.00 0.00 178.44 180.14 3kni h LYS 86 N 0.00 0.67 0.00 0.17 3.64 -1.41 1.19 116.57 120.82 3kni h LYS 86 Ca 0.00 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.19 3kni h LYS 86 Cb 0.15 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3kni h LYS 86 CO 0.00 0.44 -0.70 -0.44 -2.27 0.00 0.00 179.45 176.48 3kni h ASP 87 N 0.69 0.00 -0.65 4.20 3.32 -1.00 -3.31 116.42 119.67 3kni h ASP 87 Ca 0.53 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.58 3kni h ASP 87 Cb 0.92 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.44 3kni h ASP 87 CO -0.29 0.70 0.40 -0.07 -1.72 0.00 0.00 179.24 178.26 3kni h LEU 88 N 0.00 0.77 -0.50 1.55 4.07 0.15 -3.07 115.31 118.28 3kni h LEU 88 Ca -0.01 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.90 3kni h LEU 88 Cb 1.44 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.99 3kni h LEU 88 CO 0.09 0.59 0.00 0.00 -1.08 0.00 0.00 178.44 178.05 3kni n ALA 89 N -2.30 0.79 -0.03 1.53 0.00 -0.74 -2.41 120.51 117.36 3kni n ALA 89 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.48 3kni n ALA 89 Cb 0.05 -0.63 -0.00 0.00 0.00 0.00 0.00 19.45 18.86 3kni n ALA 89 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3kni h ARG 90 N 0.32 0.00 -5.23 0.00 2.43 -1.81 -3.46 114.38 106.63 3kni h ARG 90 Ca 0.00 0.00 -0.64 0.00 -0.81 0.00 0.00 59.98 58.53 3kni h ARG 90 Cb 0.00 0.00 -0.21 0.00 -0.42 0.00 0.00 29.97 29.34 3kni h ARG 90 CO 0.00 0.00 -0.65 -0.59 -1.51 0.00 0.00 179.97 177.22 3kni s PHE 91 N -1.37 3.06 0.35 2.20 -0.71 -1.01 -5.11 117.98 115.38 3kni s PHE 91 Ca -0.03 -0.31 0.07 0.00 -1.04 0.00 0.00 56.93 55.62 3kni s PHE 91 Cb 0.00 -2.02 -0.01 0.00 -1.21 0.00 0.00 43.02 39.79 3kni s PHE 91 CO 0.04 -0.09 0.49 -2.00 -1.34 0.00 0.00 175.22 172.32 3kni s GLU 92 N 0.60 3.07 0.00 1.99 2.12 -1.26 -4.69 118.70 120.53 3kni s GLU 92 Ca -0.01 -1.04 0.00 0.00 0.36 0.00 0.00 54.97 54.28 3kni s GLU 92 Cb -0.14 -2.81 0.00 0.00 0.26 0.00 0.00 34.13 31.44 3kni s GLU 92 CO 0.02 0.01 0.00 0.41 -0.54 0.00 0.00 175.26 175.16 3kni n GLY 93 N -1.68 1.86 3.11 -1.50 0.00 -1.26 -4.91 105.19 100.80 3kni n GLY 93 Ca 0.01 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 3kni n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kni s GLU 94 N 0.00 0.25 -0.01 1.61 2.12 -1.26 -3.44 118.70 117.97 3kni s GLU 94 Ca 0.00 0.63 0.01 0.00 0.36 0.00 0.00 54.97 55.97 3kni s GLU 94 Cb 0.00 -0.07 0.01 0.00 0.26 0.00 0.00 34.13 34.32 3kni s GLU 94 CO 0.00 -0.18 -0.03 0.14 -0.54 0.00 0.00 175.26 174.65 3kni s VAL 95 N 1.47 0.27 0.38 3.70 -7.23 -1.20 -5.06 120.40 112.74 3kni s VAL 95 Ca -0.08 -0.10 -0.10 0.00 -1.81 0.00 0.00 61.98 59.89 3kni s VAL 95 Cb -0.10 -0.27 0.04 0.00 0.56 0.00 0.00 36.38 36.61 3kni s VAL 95 CO -0.10 0.10 0.67 0.42 -0.31 0.00 0.00 175.10 175.88 3kni s THR 96 N 0.21 0.00 0.00 5.32 -4.23 -1.26 -2.67 115.64 113.01 3kni s THR 96 Ca -0.02 -1.25 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 3kni s THR 96 Cb -0.05 -2.83 0.00 0.00 1.34 0.00 0.00 72.50 70.96 3kni s THR 96 CO -0.00 0.00 0.00 -2.65 -0.54 0.00 0.00 174.62 171.43 3kni n PRO 97 N -0.56 -1.37 0.00 3.99 -0.02 -1.24 -1.94 135.00 133.86 3kni n PRO 97 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 3kni n PRO 97 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.09 3kni n PRO 97 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3kni n GLU 98 N -1.64 0.00 0.19 -0.52 0.28 -1.26 -3.22 120.64 114.47 3kni n GLU 98 Ca 0.00 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.07 3kni n GLU 98 Cb 0.00 -0.14 0.21 0.00 1.43 0.00 0.00 31.44 32.94 3kni n GLU 98 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 3kni h LEU 99 N 0.00 0.00 0.15 -1.84 6.46 -1.97 -2.65 115.31 115.47 3kni h LEU 99 Ca 0.00 0.00 -0.36 0.00 -0.12 0.00 0.00 57.88 57.40 3kni h LEU 99 Cb 0.00 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 39.93 3kni h LEU 99 CO 0.00 0.28 -1.86 -0.07 -0.62 0.00 0.00 178.44 176.18 3kni h LEU 100 N 0.00 0.50 -1.97 2.25 -0.00 -1.36 -2.98 115.31 111.75 3kni h LEU 100 Ca -0.00 -0.91 0.01 0.00 -0.00 0.00 0.00 57.88 56.98 3kni h LEU 100 Cb 1.08 -0.16 -0.00 0.00 -0.00 0.00 0.00 40.66 41.57 3kni h LEU 100 CO 0.04 1.79 0.05 -0.37 -0.00 0.00 0.00 178.44 179.94 3kni h VAL 101 N 0.09 0.99 0.00 1.22 -1.51 -1.53 0.24 116.25 115.75 3kni h VAL 101 Ca -0.38 -0.01 -0.08 0.00 -1.23 0.00 0.00 66.70 65.00 3kni h VAL 101 Cb 2.07 0.94 -0.01 0.00 -2.13 0.00 0.00 31.29 32.16 3kni h VAL 101 CO 0.14 0.01 -0.37 -0.09 -1.23 0.00 0.00 177.57 176.02 3kni h ARG 102 N 0.04 0.00 0.00 5.19 2.43 -1.51 -3.42 114.38 117.10 3kni h ARG 102 Ca 0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3kni h ARG 102 Cb 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3kni h ARG 102 CO -0.00 0.37 0.00 0.00 -1.51 0.00 0.00 179.97 178.83 3kni n ALA 103 N -2.30 0.00 -0.97 2.80 0.00 0.84 -4.92 120.51 115.96 3kni n ALA 103 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 3kni n ALA 103 Cb 0.50 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.16 3kni n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kni n GLY 104 N 4.96 3.99 3.08 0.00 0.00 -1.26 -4.94 105.19 111.03 3kni n GLY 104 Ca 0.00 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 3kni n GLY 104 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3kni s LEU 105 N -2.90 2.06 0.00 0.99 2.34 -1.21 -4.97 118.68 114.98 3kni s LEU 105 Ca 0.51 -0.65 0.00 0.00 0.06 0.00 0.00 54.13 54.05 3kni s LEU 105 Cb 0.42 0.41 0.00 0.00 -0.56 0.00 0.00 46.19 46.46 3kni s LEU 105 CO 0.11 -0.50 0.00 -0.11 -1.06 0.00 0.00 176.35 174.79 3kni n LEU 106 N 0.74 0.00 -2.52 1.48 7.94 -1.26 -2.90 117.00 120.48 3kni n LEU 106 Ca -0.19 0.00 -0.00 0.00 -1.11 0.00 0.00 56.01 54.71 3kni n LEU 106 Cb 0.59 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.53 3kni n LEU 106 CO 0.24 0.00 -0.44 2.29 -1.11 0.00 0.00 177.39 178.37 3kni n LYS 107 N 0.00 -3.07 0.00 1.96 2.85 -1.26 -3.77 118.16 114.86 3kni n LYS 107 Ca 0.00 2.51 0.00 0.00 -1.05 0.00 0.00 58.31 59.77 3kni n LYS 107 Cb 0.00 -4.71 0.00 0.00 -0.65 0.00 0.00 35.03 29.67 3kni n LYS 107 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3kni n LYS 108 N 0.67 -0.67 -0.38 -1.58 5.02 -1.26 -4.52 118.16 115.44 3kni n LYS 108 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 3kni n LYS 108 Cb 0.05 -0.91 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 3kni n LYS 108 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kni n GLY 109 N 0.07 2.28 7.00 0.72 0.00 -1.25 -4.94 105.19 109.07 3kni n GLY 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kni n GLY 109 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kni n TYR 110 N 1.35 -0.91 0.00 1.61 9.36 -1.26 -3.83 117.16 123.48 3kni n TYR 110 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 3kni n TYR 110 Cb 0.47 0.11 0.00 0.00 -0.63 0.00 0.00 39.34 39.29 3kni n TYR 110 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3kni n ARG 111 N -0.41 0.00 -3.07 2.98 1.74 -1.17 -4.36 116.66 112.37 3kni n ARG 111 Ca 0.00 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.71 3kni n ARG 111 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.38 3kni n ARG 111 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3kni s LEU 112 N 0.00 4.40 -0.30 0.55 1.98 -1.26 -1.72 118.68 122.33 3kni s LEU 112 Ca 0.00 1.48 -0.03 0.00 -2.89 0.00 0.00 54.13 52.70 3kni s LEU 112 Cb 0.00 -3.52 0.11 0.00 0.66 0.00 0.00 46.19 43.45 3kni s LEU 112 CO 0.00 0.08 0.18 -0.75 -1.89 0.00 0.00 176.35 173.97 3kni s LYS 113 N -1.76 0.26 0.94 1.98 2.20 -0.64 -1.66 119.74 121.05 3kni s LYS 113 Ca 0.41 -0.50 -0.11 0.00 -0.36 0.00 0.00 55.97 55.41 3kni s LYS 113 Cb -0.18 -1.03 0.16 0.00 -1.51 0.00 0.00 37.83 35.26 3kni s LYS 113 CO 0.22 -1.04 1.10 -1.50 -0.36 0.00 0.00 175.35 173.77 3kni s ILE 114 N 2.07 2.41 -0.29 5.43 1.10 -0.94 -2.01 121.20 128.97 3kni s ILE 114 Ca 0.10 0.13 -0.37 0.00 -0.51 0.00 0.00 60.65 60.01 3kni s ILE 114 Cb -0.16 -2.35 0.17 0.00 0.15 0.00 0.00 42.46 40.26 3kni s ILE 114 CO -0.32 -0.18 1.38 -1.48 -2.11 0.00 0.00 174.94 172.24 3kni s LEU 115 N -6.52 -0.01 0.00 8.50 2.34 -1.18 -3.47 118.68 118.34 3kni s LEU 115 Ca 0.65 0.00 0.00 0.00 0.06 0.00 0.00 54.13 54.85 3kni s LEU 115 Cb -0.21 1.03 0.00 0.00 -0.56 0.00 0.00 46.19 46.45 3kni s LEU 115 CO 0.59 -0.02 0.00 0.61 -1.06 0.00 0.00 176.35 176.47 3kni n GLY 116 N 0.10 1.21 3.39 -3.48 0.00 -1.26 -1.62 105.19 103.53 3kni n GLY 116 Ca 0.05 0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.99 3kni n GLY 116 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kni n GLU 117 N 3.33 0.32 0.00 1.61 4.71 -1.26 -4.63 120.64 124.73 3kni n GLU 117 Ca 0.00 0.13 0.00 0.00 -0.01 0.00 0.00 57.16 57.28 3kni n GLU 117 Cb 0.00 -1.44 0.00 0.00 -1.01 0.00 0.00 31.44 28.99 3kni n GLU 117 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3kni n GLY 118 N 2.04 -0.86 3.12 0.62 0.00 -1.26 -1.23 105.19 107.63 3kni n GLY 118 Ca 0.10 -1.64 -0.21 0.00 0.00 0.00 0.00 46.02 44.28 3kni n GLY 118 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kni n GLU 119 N -0.73 -0.46 -4.06 1.61 -0.58 -1.26 -4.74 120.64 110.42 3kni n GLU 119 Ca 0.00 -1.95 -0.26 0.00 -0.42 0.00 0.00 57.16 54.53 3kni n GLU 119 Cb 0.00 -0.80 -0.05 0.00 -0.57 0.00 0.00 31.44 30.02 3kni n GLU 119 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kni s ALA 120 N -3.50 3.64 -0.18 0.62 0.00 -1.26 -4.59 121.76 116.49 3kni s ALA 120 Ca 0.57 -1.19 -0.05 0.00 0.00 0.00 0.00 51.96 51.30 3kni s ALA 120 Cb -0.02 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.63 3kni s ALA 120 CO 0.39 0.50 -0.01 0.15 0.00 0.00 0.00 175.76 176.79 3kni s LYS 121 N -3.15 3.66 -0.57 0.00 1.02 -1.26 -5.02 119.74 114.42 3kni s LYS 121 Ca 0.32 -0.51 -0.06 0.00 0.02 0.00 0.00 55.97 55.73 3kni s LYS 121 Cb -0.10 -3.01 -0.06 0.00 -0.52 0.00 0.00 37.83 34.14 3kni s LYS 121 CO 0.24 0.13 1.71 -2.30 -0.92 0.00 0.00 175.35 174.21 3kni n PRO 122 N 3.89 1.28 -4.44 -1.68 -0.02 -1.25 -4.85 135.00 127.93 3kni n PRO 122 Ca -0.17 -1.16 -0.25 0.00 -2.02 0.00 0.00 63.50 59.91 3kni n PRO 122 Cb 0.52 -2.34 -0.10 0.00 -0.02 0.00 0.00 33.50 31.56 3kni n PRO 122 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 3kni s LEU 123 N 0.14 2.61 0.10 2.45 0.05 -1.26 -4.30 118.68 118.47 3kni s LEU 123 Ca 0.29 -0.96 -0.25 0.00 0.05 0.00 0.00 54.13 53.26 3kni s LEU 123 Cb 0.07 -1.17 -0.07 0.00 -2.05 0.00 0.00 46.19 42.98 3kni s LEU 123 CO 0.00 0.06 0.76 -0.75 -0.55 0.00 0.00 176.35 175.87 3kni s LYS 124 N -3.33 4.51 -0.12 1.48 2.20 -1.22 -3.89 119.74 119.37 3kni s LYS 124 Ca 0.28 1.09 0.01 0.00 -0.36 0.00 0.00 55.97 56.99 3kni s LYS 124 Cb -0.06 -3.31 0.02 0.00 -1.51 0.00 0.00 37.83 32.97 3kni s LYS 124 CO 0.14 0.43 -0.15 0.14 -0.36 0.00 0.00 175.35 175.55 3kni s VAL 125 N -0.59 1.53 -0.33 4.02 -7.23 -1.26 -3.24 120.40 113.30 3kni s VAL 125 Ca 0.37 -0.65 -0.15 0.00 -1.81 0.00 0.00 61.98 59.75 3kni s VAL 125 Cb -0.22 -1.41 -0.02 0.00 0.56 0.00 0.00 36.38 35.30 3kni s VAL 125 CO 0.24 0.45 0.34 -0.69 -0.31 0.00 0.00 175.10 175.13 3kni s VAL 126 N 1.13 5.19 0.35 1.32 1.01 -1.09 -2.90 120.40 125.41 3kni s VAL 126 Ca -0.03 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.07 3kni s VAL 126 Cb -0.14 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 3kni s VAL 126 CO -0.04 -0.02 0.42 0.00 0.00 0.00 0.00 175.10 175.45 3kni n ALA 127 N 5.32 0.06 0.31 5.51 0.00 -0.85 -3.62 120.51 127.24 3kni n ALA 127 Ca -0.10 -1.76 0.11 0.00 0.00 0.00 0.00 53.44 51.69 3kni n ALA 127 Cb 0.50 1.42 -0.12 0.00 0.00 0.00 0.00 19.45 21.25 3kni n ALA 127 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kni n HIS 128 N -0.61 0.09 -3.58 0.00 8.25 -0.67 -4.17 115.22 114.53 3kni n HIS 128 Ca 0.03 0.03 -0.06 0.00 -0.26 0.00 0.00 57.72 57.45 3kni n HIS 128 Cb 0.60 -0.40 -0.03 0.00 1.12 0.00 0.00 29.99 31.28 3kni n HIS 128 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kni s ALA 129 N -3.35 -2.00 0.00 -1.41 0.00 -1.20 -4.60 121.76 109.21 3kni s ALA 129 Ca -0.02 1.57 -0.01 0.00 0.00 0.00 0.00 51.96 53.50 3kni s ALA 129 Cb 0.14 -0.50 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 3kni s ALA 129 CO 0.88 -0.45 0.00 -0.06 0.00 0.00 0.00 175.76 176.14 3kni s PHE 130 N -1.83 0.10 0.78 0.00 2.99 -1.26 -2.22 117.98 116.53 3kni s PHE 130 Ca 0.05 -0.19 -0.11 0.00 0.00 0.00 0.00 56.93 56.68 3kni s PHE 130 Cb -0.01 -0.07 0.06 0.00 0.00 0.00 0.00 43.02 43.00 3kni s PHE 130 CO -0.04 -0.09 1.10 -1.54 -0.00 0.00 0.00 175.22 174.65 3kni s SER 131 N -0.63 4.43 0.11 1.36 1.04 -1.23 -4.63 113.70 114.16 3kni s SER 131 Ca -0.07 1.86 -0.25 0.00 0.48 0.00 0.00 55.95 57.96 3kni s SER 131 Cb -0.04 -2.53 -0.07 0.00 0.10 0.00 0.00 66.02 63.48 3kni s SER 131 CO -0.00 -2.09 1.66 0.07 0.98 0.00 0.00 173.24 173.86 3kni h LYS 132 N -1.12 -0.34 -0.62 4.02 2.10 -1.99 0.84 116.57 119.47 3kni h LYS 132 Ca -0.44 0.02 0.12 0.00 -2.00 0.00 0.00 60.65 58.36 3kni h LYS 132 Cb 1.23 0.08 -0.12 0.00 -0.90 0.00 0.00 32.23 32.52 3kni h LYS 132 CO 0.51 -0.23 -0.17 1.03 -2.00 0.00 0.00 179.45 178.60 3kni h SER 133 N -0.35 -0.61 -0.43 7.07 0.87 -1.99 -0.32 113.55 117.79 3kni h SER 133 Ca 0.04 0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 3kni h SER 133 Cb 0.40 0.40 -0.02 0.00 -0.44 0.00 0.00 62.40 62.74 3kni h SER 133 CO -0.15 -0.21 0.22 0.00 -0.53 0.00 0.00 176.83 176.15 3kni h ALA 134 N 1.59 0.55 0.22 6.23 0.00 -1.27 -0.44 119.26 126.14 3kni h ALA 134 Ca 0.30 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3kni h ALA 134 Cb 0.46 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3kni h ALA 134 CO -0.65 0.10 -0.11 1.25 0.00 0.00 0.00 179.25 179.85 3kni h LEU 135 N 0.55 -0.25 -0.00 0.00 7.12 0.12 -3.07 115.31 119.78 3kni h LEU 135 Ca 0.15 -0.15 0.00 0.00 0.13 0.00 0.00 57.88 58.01 3kni h LEU 135 Cb 0.10 0.07 -0.00 0.00 -0.53 0.00 0.00 40.66 40.29 3kni h LEU 135 CO -0.02 0.01 -0.04 -0.33 -0.13 0.00 0.00 178.44 177.92 3kni h GLU 136 N -0.51 -0.05 -1.70 1.25 4.39 -1.00 -1.74 114.58 115.22 3kni h GLU 136 Ca -0.03 0.00 0.52 0.00 0.34 0.00 0.00 59.36 60.20 3kni h GLU 136 Cb 0.38 0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 28.94 3kni h GLU 136 CO 0.05 -0.03 1.18 1.63 -1.16 0.00 0.00 179.01 180.68 3kni n LYS 137 N -2.77 -0.01 0.08 2.33 5.02 -0.18 0.87 118.16 123.50 3kni n LYS 137 Ca -0.01 1.12 -0.14 0.00 -2.02 0.00 0.00 58.31 57.27 3kni n LYS 137 Cb 0.03 -2.43 -0.07 0.00 -0.02 0.00 0.00 35.03 32.54 3kni n LYS 137 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3kni h LEU 138 N 0.00 0.47 -0.33 -0.35 5.85 -1.23 -3.32 115.31 116.40 3kni h LEU 138 Ca 0.90 -0.41 0.13 0.00 0.84 0.00 0.00 57.88 59.33 3kni h LEU 138 Cb 3.33 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 44.16 3kni h LEU 138 CO -0.19 1.24 0.19 1.17 -0.34 0.00 0.00 178.44 180.51 3kni n LYS 139 N -3.67 -0.02 -0.19 1.25 4.81 0.25 -1.93 118.16 118.67 3kni n LYS 139 Ca -0.07 0.40 -0.03 0.00 -0.87 0.00 0.00 58.31 57.74 3kni n LYS 139 Cb 0.89 -0.74 -0.03 0.00 0.02 0.00 0.00 35.03 35.17 3kni n LYS 139 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3kni n ALA 140 N -2.72 2.01 0.00 3.14 0.00 -1.25 -4.60 120.51 117.10 3kni n ALA 140 Ca 0.12 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3kni n ALA 140 Cb 0.41 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.54 3kni n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kni n ALA 141 N 3.18 -2.38 0.00 0.00 0.00 -0.81 -4.50 120.51 115.99 3kni n ALA 141 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3kni n ALA 141 Cb 0.15 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.14 3kni n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kni n GLY 142 N -0.38 -0.99 0.00 0.00 0.00 -1.26 -3.77 105.19 98.78 3kni n GLY 142 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.39 3kni n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kni n GLY 143 N 0.00 -1.77 0.50 -0.02 0.00 -1.25 -3.49 105.19 99.16 3kni n GLY 143 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.90 3kni n GLY 143 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kni n GLU 144 N -0.35 0.00 -1.48 1.61 2.13 -1.26 -4.72 120.64 116.57 3kni n GLU 144 Ca 0.00 -0.12 -0.62 0.00 0.66 0.00 0.00 57.16 57.08 3kni n GLU 144 Cb 0.00 -0.06 -0.10 0.00 0.27 0.00 0.00 31.44 31.55 3kni n GLU 144 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3kni n PRO 145 N 0.00 0.20 0.00 5.31 -0.02 -1.14 -4.83 135.00 134.51 3kni n PRO 145 Ca 0.00 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 3kni n PRO 145 Cb 0.52 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 3kni n PRO 145 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3kni n VAL 146 N 5.54 0.00 0.00 -1.45 3.14 -1.26 -2.01 118.33 122.30 3kni n VAL 146 Ca 0.43 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.81 3kni n VAL 146 Cb -0.01 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.77 3kni n VAL 146 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 3kni n LEU 147 N 0.00 0.00 -1.18 6.55 7.94 -1.26 -4.82 117.00 124.23 3kni n LEU 147 Ca 0.00 0.00 0.16 0.00 -1.11 0.00 0.00 56.01 55.06 3kni n LEU 147 Cb 0.00 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 43.90 3kni n LEU 147 CO 0.00 0.00 -0.30 0.18 -1.11 0.00 0.00 177.39 176.16 3kni n LEU 148 N 0.00 -0.65 -1.53 -1.96 4.77 -1.26 -4.75 117.00 111.62 3kni n LEU 148 Ca 0.00 1.46 -0.02 0.00 -0.03 0.00 0.00 56.01 57.42 3kni n LEU 148 Cb 0.00 -3.70 0.01 0.00 -2.33 0.00 0.00 43.42 37.40 3kni n LEU 148 CO 0.00 -2.85 0.01 -0.62 -1.33 0.00 0.00 177.39 172.60 3kni n GLU 149 N -3.82 -0.44 0.00 3.23 -0.58 -1.26 -5.12 120.64 112.66 3kni n GLU 149 Ca -0.01 0.10 0.14 0.00 -0.42 0.00 0.00 57.16 56.96 3kni n GLU 149 Cb 0.55 -2.33 0.53 0.00 -0.57 0.00 0.00 31.44 29.62 3kni n GLU 149 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65