#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kni n ASN 2 N 0.00 0.00 -4.05 6.12 3.02 -1.26 -4.74 115.26 114.36 3kni n ASN 2 Ca 0.00 0.12 -0.34 0.00 -0.03 0.00 0.00 54.58 54.33 3kni n ASN 2 Cb 0.00 -0.14 -0.09 0.00 -0.61 0.00 0.00 39.78 38.94 3kni n ASN 2 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3kni s ARG 3 N -0.28 2.85 0.30 3.52 1.81 -1.26 -4.82 118.95 121.07 3kni s ARG 3 Ca 0.00 -3.08 0.05 0.00 -1.72 0.00 0.00 55.73 50.98 3kni s ARG 3 Cb 0.00 -3.75 0.81 0.00 -0.45 0.00 0.00 34.95 31.56 3kni s ARG 3 CO 0.00 -1.24 1.64 0.78 -0.68 0.00 0.00 175.30 175.80 3kni h GLY 4 N 6.14 1.51 -0.64 -3.53 0.00 -2.01 0.59 103.07 105.14 3kni h GLY 4 Ca 0.10 -0.05 0.06 0.00 0.00 0.00 0.00 47.33 47.44 3kni h GLY 4 CO 0.78 -0.43 -0.48 0.00 0.00 0.00 0.00 176.54 176.41 3kni h ALA 5 N 1.83 -0.55 0.00 3.60 0.00 -2.00 -0.54 119.26 121.61 3kni h ALA 5 Ca 0.60 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.57 3kni h ALA 5 Cb 1.28 1.22 0.00 0.00 0.00 0.00 0.00 17.79 20.29 3kni h ALA 5 CO -0.69 -0.85 0.00 1.28 0.00 0.00 0.00 179.25 179.00 3kni n LEU 6 N -4.88 0.28 0.06 0.00 4.77 0.20 -2.99 117.00 114.45 3kni n LEU 6 Ca -0.00 0.56 -0.06 0.00 -0.03 0.00 0.00 56.01 56.48 3kni n LEU 6 Cb 0.24 -0.51 -0.03 0.00 -2.33 0.00 0.00 43.42 40.78 3kni n LEU 6 CO -0.08 -0.33 0.16 0.40 -1.33 0.00 0.00 177.39 176.21 3kni h ILE 7 N 0.00 0.19 -0.84 -0.08 1.08 -0.09 0.88 117.51 118.65 3kni h ILE 7 Ca 0.00 -0.91 0.24 0.00 -0.39 0.00 0.00 64.86 63.81 3kni h ILE 7 Cb 0.34 0.34 -0.03 0.00 -3.07 0.00 0.00 36.82 34.40 3kni h ILE 7 CO 0.00 0.06 0.83 0.11 -0.69 0.00 0.00 178.15 178.45 3kni h LYS 8 N -1.05 0.00 0.15 2.37 1.57 -1.45 1.39 116.57 119.55 3kni h LYS 8 Ca -0.03 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.41 3kni h LYS 8 Cb 0.29 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 3kni h LYS 8 CO 0.04 0.00 -1.80 -0.07 -0.57 0.00 0.00 179.45 177.06 3kni h LEU 9 N 0.00 0.50 -0.05 2.94 3.38 -1.46 -3.15 115.31 117.48 3kni h LEU 9 Ca 0.40 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.44 3kni h LEU 9 Cb 2.05 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.64 3kni h LEU 9 CO -0.00 1.79 0.00 0.52 0.09 0.00 0.00 178.44 180.84 3kni n VAL 10 N -3.61 0.00 -0.02 1.22 0.31 0.46 -2.60 118.33 114.09 3kni n VAL 10 Ca -0.28 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.03 3kni n VAL 10 Cb 1.04 -0.26 -0.02 0.00 -0.91 0.00 0.00 33.84 33.68 3kni n VAL 10 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3kni n GLU 11 N -0.46 1.55 -2.16 5.55 4.71 -0.08 -4.90 120.64 124.84 3kni n GLU 11 Ca 0.00 0.01 -0.39 0.00 -0.01 0.00 0.00 57.16 56.78 3kni n GLU 11 Cb 0.01 -1.07 -0.03 0.00 -1.01 0.00 0.00 31.44 29.33 3kni n GLU 11 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 3kni s SER 12 N -3.92 5.48 -0.27 1.62 0.01 -1.07 -4.65 113.70 110.90 3kni s SER 12 Ca -0.03 0.09 -0.07 0.00 1.31 0.00 0.00 55.95 57.24 3kni s SER 12 Cb 0.01 -2.54 -0.14 0.00 0.21 0.00 0.00 66.02 63.56 3kni s SER 12 CO 0.10 -2.26 -0.30 -1.14 0.41 0.00 0.00 173.24 170.04 3kni n ARG 13 N 9.21 0.61 0.00 12.44 3.00 -1.26 -4.44 116.66 136.22 3kni n ARG 13 Ca 0.17 0.21 0.00 0.00 -0.00 0.00 0.00 57.85 58.23 3kni n ARG 13 Cb 0.51 -1.49 0.00 0.00 0.00 0.00 0.00 32.46 31.48 3kni n ARG 13 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3kni n TYR 14 N -3.81 0.00 -2.93 -0.14 4.02 -1.26 -4.68 117.16 108.36 3kni n TYR 14 Ca -0.50 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 56.99 3kni n TYR 14 Cb 0.93 -0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 40.19 3kni n TYR 14 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3kni s VAL 15 N -0.51 4.61 0.24 -0.72 0.11 -1.26 -4.49 120.40 118.37 3kni s VAL 15 Ca 0.00 1.73 0.05 0.00 -2.93 0.00 0.00 61.98 60.83 3kni s VAL 15 Cb 0.00 -4.16 -0.03 0.00 -1.53 0.00 0.00 36.38 30.66 3kni s VAL 15 CO 0.00 0.39 0.34 -0.13 -3.33 0.00 0.00 175.10 172.36 3kni s ARG 16 N -0.27 3.37 0.00 1.54 1.81 -1.26 -5.00 118.95 119.13 3kni s ARG 16 Ca 0.40 -0.79 0.00 0.00 -1.72 0.00 0.00 55.73 53.61 3kni s ARG 16 Cb -0.22 -2.85 0.00 0.00 -0.45 0.00 0.00 34.95 31.43 3kni s ARG 16 CO 0.25 0.43 0.40 0.25 -0.68 0.00 0.00 175.30 175.95 3kni n THR 17 N -1.34 0.14 -1.26 0.02 -2.24 -1.26 -4.88 114.28 103.45 3kni n THR 17 Ca -0.09 -0.20 -0.27 0.00 -2.27 0.00 0.00 64.05 61.22 3kni n THR 17 Cb 0.57 1.27 0.15 0.00 -2.10 0.00 0.00 70.33 70.21 3kni n THR 17 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3kni n ASP 18 N -0.07 5.02 -4.05 3.42 5.75 -1.26 -4.97 116.55 120.39 3kni n ASP 18 Ca 0.00 -3.67 -0.19 0.00 -0.01 0.00 0.00 54.79 50.92 3kni n ASP 18 Cb 0.32 -0.88 -0.15 0.00 -1.03 0.00 0.00 41.12 39.38 3kni n ASP 18 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3kni s LEU 19 N -3.47 2.04 -0.83 -2.12 1.02 -1.26 -4.83 118.68 109.22 3kni s LEU 19 Ca 0.60 -0.21 -0.20 0.00 0.02 0.00 0.00 54.13 54.33 3kni s LEU 19 Cb 0.49 -0.53 -0.20 0.00 0.02 0.00 0.00 46.19 45.97 3kni s LEU 19 CO 0.07 0.11 2.20 -2.65 0.02 0.00 0.00 176.35 176.11 3kni n PRO 20 N 2.73 0.31 -1.59 1.29 -0.02 -1.26 -4.87 135.00 131.58 3kni n PRO 20 Ca -0.14 -0.70 -0.60 0.00 -2.02 0.00 0.00 63.50 60.04 3kni n PRO 20 Cb 0.56 -2.85 -0.08 0.00 -0.02 0.00 0.00 33.50 31.12 3kni n PRO 20 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3kni n GLU 21 N 7.55 0.24 -1.99 -0.52 2.13 -1.26 -4.89 120.64 121.89 3kni n GLU 21 Ca 0.48 0.09 0.00 0.00 0.66 0.00 0.00 57.16 58.39 3kni n GLU 21 Cb 0.37 -1.62 0.00 0.00 0.27 0.00 0.00 31.44 30.46 3kni n GLU 21 CO 0.00 0.00 0.00 1.97 -0.41 0.00 0.00 177.13 178.69 3kni n PHE 22 N 2.53 0.00 -3.85 4.31 1.16 -1.26 -5.18 117.46 115.17 3kni n PHE 22 Ca 0.23 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.73 3kni n PHE 22 Cb 0.06 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 37.93 3kni n PHE 22 CO 0.00 0.00 0.00 -0.98 -1.87 0.00 0.00 176.76 173.91 3kni s ARG 23 N -1.99 1.91 0.00 3.97 1.70 -1.26 -5.02 118.95 118.26 3kni s ARG 23 Ca 0.00 -1.12 0.00 0.00 -0.47 0.00 0.00 55.73 54.14 3kni s ARG 23 Cb 0.00 0.61 0.00 0.00 -0.57 0.00 0.00 34.95 34.99 3kni s ARG 23 CO 0.00 -0.88 0.00 -2.30 -1.08 0.00 0.00 175.30 171.04 3kni n PRO 24 N -0.48 0.00 0.00 3.89 -0.02 -1.26 -4.44 135.00 132.69 3kni n PRO 24 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 3kni n PRO 24 Cb 0.59 -0.60 0.00 0.00 -0.02 0.00 0.00 33.50 33.47 3kni n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kni n GLY 25 N 0.94 0.56 2.16 -1.23 0.00 -1.26 -4.66 105.19 101.69 3kni n GLY 25 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 3kni n GLY 25 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kni n ASP 26 N 0.00 -0.74 -3.69 1.61 4.64 -1.24 -4.41 116.55 112.72 3kni n ASP 26 Ca 0.00 -1.50 0.00 0.00 -1.38 0.00 0.00 54.79 51.91 3kni n ASP 26 Cb 0.00 0.52 0.00 0.00 -1.04 0.00 0.00 41.12 40.60 3kni n ASP 26 CO 0.00 0.00 0.00 1.07 -0.82 0.00 0.00 177.20 177.45 3kni n THR 27 N -0.46 0.00 0.00 5.18 5.66 -1.26 -4.03 114.28 119.38 3kni n THR 27 Ca -0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 3kni n THR 27 Cb 0.63 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.41 3kni n THR 27 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 3kni n VAL 28 N -0.06 0.00 0.00 1.08 0.31 -1.25 -3.98 118.33 114.43 3kni n VAL 28 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3kni n VAL 28 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3kni n VAL 28 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3kni n ARG 29 N -0.39 0.00 -0.06 5.55 5.12 0.24 -4.09 116.66 123.03 3kni n ARG 29 Ca 0.00 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.90 3kni n ARG 29 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3kni n ARG 29 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 3kni n VAL 30 N -0.78 0.00 0.00 1.55 0.24 -1.26 -4.30 118.33 113.77 3kni n VAL 30 Ca 0.00 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 3kni n VAL 30 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3kni n VAL 30 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3kni n SER 31 N 0.13 0.00 0.01 -1.34 3.41 -0.52 -4.49 113.62 110.83 3kni n SER 31 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3kni n SER 31 Cb 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 3kni n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kni n TYR 32 N 0.00 -2.06 -0.64 7.33 -0.00 -1.26 -1.59 117.16 118.94 3kni n TYR 32 Ca 0.00 0.09 0.05 0.00 -0.00 0.00 0.00 57.90 58.05 3kni n TYR 32 Cb 0.00 0.59 -0.02 0.00 -0.00 0.00 0.00 39.34 39.91 3kni n TYR 32 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 3kni n LYS 33 N -2.33 -0.83 -3.64 -3.48 4.76 -1.26 -4.22 118.16 107.16 3kni n LYS 33 Ca 0.00 0.60 -0.11 0.00 -2.87 0.00 0.00 58.31 55.93 3kni n LYS 33 Cb 0.00 -1.25 -0.05 0.00 -1.84 0.00 0.00 35.03 31.90 3kni n LYS 33 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3kni s VAL 34 N -2.54 0.07 -5.00 -0.18 1.01 -1.15 -4.17 120.40 108.44 3kni s VAL 34 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.40 3kni s VAL 34 Cb 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.23 3kni s VAL 34 CO 0.00 -0.32 0.00 2.29 0.00 0.00 0.00 175.10 177.07 3kni n LYS 35 N -0.17 -1.12 -0.15 2.72 2.85 -1.26 -4.97 118.16 116.07 3kni n LYS 35 Ca -0.16 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.10 3kni n LYS 35 Cb 0.63 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.01 3kni n LYS 35 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 3kni n GLU 36 N -0.18 0.00 -1.01 -1.58 2.13 -1.26 -1.48 120.64 117.25 3kni n GLU 36 Ca 0.00 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.82 3kni n GLU 36 Cb 0.00 -3.96 -0.00 0.00 0.27 0.00 0.00 31.44 27.75 3kni n GLU 36 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kni n GLY 37 N -1.88 0.41 2.43 8.31 0.00 -1.26 -4.93 105.19 108.26 3kni n GLY 37 Ca 0.00 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 3kni n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kni s ASN 38 N -2.06 1.14 0.00 1.61 4.22 -0.55 -5.07 114.94 114.22 3kni s ASN 38 Ca 0.00 -2.93 0.00 0.00 -2.14 0.00 0.00 52.86 47.79 3kni s ASN 38 Cb 0.00 -0.21 0.00 0.00 1.28 0.00 0.00 41.25 42.32 3kni s ASN 38 CO 0.00 -0.16 0.00 0.54 -2.04 0.00 0.00 177.10 175.44 3kni n ARG 39 N 2.86 0.00 -1.40 3.55 1.74 -1.25 -4.42 116.66 117.73 3kni n ARG 39 Ca 0.29 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.99 3kni n ARG 39 Cb 0.49 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 31.98 3kni n ARG 39 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3kni n THR 40 N -0.14 2.21 0.00 0.55 -2.24 -1.26 -2.95 114.28 110.44 3kni n THR 40 Ca 0.00 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 3kni n THR 40 Cb 0.00 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 67.50 3kni n THR 40 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3kni n ARG 41 N -0.35 0.00 -1.55 -0.78 0.00 -1.26 -4.81 116.66 107.90 3kni n ARG 41 Ca 0.11 0.00 -0.48 0.00 -0.00 0.00 0.00 57.85 57.48 3kni n ARG 41 Cb 0.48 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.89 3kni n ARG 41 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 3kni n ILE 42 N 0.00 0.34 -3.89 5.15 -6.64 -1.26 -4.72 119.36 108.33 3kni n ILE 42 Ca 0.00 -0.27 -0.36 0.00 -1.77 0.00 0.00 62.75 60.35 3kni n ILE 42 Cb 0.00 -1.95 -0.06 0.00 -1.44 0.00 0.00 39.64 36.20 3kni n ILE 42 CO 0.00 0.00 0.00 -1.58 -1.77 0.00 0.00 176.55 173.20 3kni s GLN 43 N 5.64 3.43 -0.13 6.28 0.74 -1.26 -4.91 119.66 129.46 3kni s GLN 43 Ca 1.03 -0.17 -0.02 0.00 0.05 0.00 0.00 55.36 56.25 3kni s GLN 43 Cb -0.68 -3.17 -0.02 0.00 1.10 0.00 0.00 33.01 30.24 3kni s GLN 43 CO 0.46 0.76 -0.07 -0.51 -0.55 0.00 0.00 175.29 175.38 3kni s ASP 44 N -1.22 4.53 -0.02 6.67 1.11 -1.26 -1.44 116.67 125.04 3kni s ASP 44 Ca 0.18 -0.16 0.03 0.00 0.18 0.00 0.00 52.55 52.78 3kni s ASP 44 Cb -0.12 -1.59 -0.03 0.00 1.07 0.00 0.00 42.92 42.25 3kni s ASP 44 CO 0.07 0.21 -0.10 0.12 1.18 0.00 0.00 175.17 176.65 3kni s PHE 45 N 0.08 2.80 0.10 4.23 5.36 -1.26 -4.88 117.98 124.42 3kni s PHE 45 Ca -0.02 -0.09 0.04 0.00 -0.96 0.00 0.00 56.93 55.90 3kni s PHE 45 Cb -0.14 -1.62 -0.04 0.00 -0.34 0.00 0.00 43.02 40.89 3kni s PHE 45 CO 0.03 0.29 -0.11 -2.00 -1.46 0.00 0.00 175.22 171.97 3kni s GLU 46 N -1.09 0.90 0.00 10.12 2.12 -1.26 0.81 118.70 130.29 3kni s GLU 46 Ca 0.14 -1.17 0.00 0.00 0.36 0.00 0.00 54.97 54.30 3kni s GLU 46 Cb -0.11 -0.66 0.00 0.00 0.26 0.00 0.00 34.13 33.63 3kni s GLU 46 CO 0.04 0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.28 3kni n GLY 47 N 0.58 2.95 3.72 -1.50 0.00 -1.25 -3.86 105.19 105.83 3kni n GLY 47 Ca -0.16 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 3kni n GLY 47 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kni s ILE 48 N -1.95 4.10 -0.19 -0.61 1.09 -0.83 -4.04 121.20 118.77 3kni s ILE 48 Ca 0.00 1.55 -0.29 0.00 -1.10 0.00 0.00 60.65 60.81 3kni s ILE 48 Cb 0.00 -3.99 -0.01 0.00 -1.06 0.00 0.00 42.46 37.40 3kni s ILE 48 CO 0.00 0.15 1.20 0.54 -0.10 0.00 0.00 174.94 176.73 3kni s VAL 49 N 0.84 4.39 -0.04 2.92 0.11 -1.26 -1.90 120.40 125.46 3kni s VAL 49 Ca 0.56 1.67 -0.01 0.00 -2.93 0.00 0.00 61.98 61.28 3kni s VAL 49 Cb -0.28 -4.09 -0.26 0.00 -1.53 0.00 0.00 36.38 30.21 3kni s VAL 49 CO 0.30 -0.16 0.69 0.40 -3.33 0.00 0.00 175.10 173.00 3kni h ILE 50 N 5.50 0.95 -4.08 7.04 5.03 -1.83 -3.39 117.51 126.74 3kni h ILE 50 Ca -0.24 -2.66 -0.11 0.00 -0.12 0.00 0.00 64.86 61.72 3kni h ILE 50 Cb 1.09 2.62 -0.15 0.00 -3.03 0.00 0.00 36.82 37.35 3kni h ILE 50 CO 0.98 0.77 -0.59 -0.60 -0.68 0.00 0.00 178.15 178.03 3kni s ARG 51 N -2.60 0.65 -0.23 2.37 3.52 -1.24 -2.60 118.95 118.82 3kni s ARG 51 Ca -0.11 -1.08 -0.03 0.00 -0.13 0.00 0.00 55.73 54.38 3kni s ARG 51 Cb 0.07 0.24 0.12 0.00 -1.56 0.00 0.00 34.95 33.82 3kni s ARG 51 CO 0.83 -0.15 0.33 0.42 -0.81 0.00 0.00 175.30 175.92 3kni s ILE 52 N -3.65 -0.52 -0.34 4.11 1.01 -1.26 -1.05 121.20 119.48 3kni s ILE 52 Ca 0.04 -0.09 -0.06 0.00 0.00 0.00 0.00 60.65 60.54 3kni s ILE 52 Cb 0.05 -0.78 0.05 0.00 0.01 0.00 0.00 42.46 41.80 3kni s ILE 52 CO -0.09 -0.15 0.11 -0.60 0.00 0.00 0.00 174.94 174.21 3kni s ARG 53 N 2.48 2.56 0.58 2.79 3.52 0.26 -4.97 118.95 126.16 3kni s ARG 53 Ca 0.11 -1.25 -0.13 0.00 -0.13 0.00 0.00 55.73 54.33 3kni s ARG 53 Cb -0.15 -3.46 -0.05 0.00 -1.56 0.00 0.00 34.95 29.72 3kni s ARG 53 CO -0.15 -0.71 1.01 0.50 -0.81 0.00 0.00 175.30 175.14 3kni s ARG 54 N 1.37 3.72 0.00 5.12 3.52 -1.26 -1.63 118.95 129.80 3kni s ARG 54 Ca -0.01 0.81 0.00 0.00 -0.13 0.00 0.00 55.73 56.40 3kni s ARG 54 Cb -0.20 -2.11 0.00 0.00 -1.56 0.00 0.00 34.95 31.08 3kni s ARG 54 CO 0.02 -0.45 0.00 -1.71 -0.81 0.00 0.00 175.30 172.35 3kni n ASN 55 N -2.31 0.00 0.00 -2.12 5.15 -1.26 -4.87 115.26 109.85 3kni n ASN 55 Ca 0.06 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.04 3kni n ASN 55 Cb 0.54 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.79 3kni n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kni n GLY 56 N 0.00 0.36 3.97 8.20 0.00 -1.26 -4.32 105.19 112.13 3kni n GLY 56 Ca 0.00 0.67 -0.27 0.00 0.00 0.00 0.00 46.02 46.42 3kni n GLY 56 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3kni n PHE 57 N 0.00 -3.49 -3.72 1.61 -0.00 -1.26 -4.29 117.46 106.31 3kni n PHE 57 Ca 0.00 -1.49 -0.16 0.00 -0.00 0.00 0.00 57.45 55.80 3kni n PHE 57 Cb 0.00 -0.91 0.01 0.00 -0.00 0.00 0.00 39.48 38.58 3kni n PHE 57 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 3kni n ASN 58 N -3.42 -1.50 -4.17 -2.13 0.23 -1.26 -4.88 115.26 98.14 3kni n ASN 58 Ca 0.17 -0.45 -0.35 0.00 -0.53 0.00 0.00 54.58 53.42 3kni n ASN 58 Cb 0.60 -0.57 -0.14 0.00 -2.08 0.00 0.00 39.78 37.59 3kni n ASN 58 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 3kni s THR 59 N -4.14 2.90 0.45 5.53 -4.23 -1.26 -4.54 115.64 110.34 3kni s THR 59 Ca 0.15 -1.36 -0.04 0.00 -1.18 0.00 0.00 61.69 59.26 3kni s THR 59 Cb -0.08 -2.64 -0.04 0.00 1.34 0.00 0.00 72.50 71.08 3kni s THR 59 CO 0.35 -0.06 0.73 0.42 -0.54 0.00 0.00 174.62 175.52 3kni s THR 60 N 1.25 4.95 0.04 3.99 -4.23 -0.64 -4.38 115.64 116.62 3kni s THR 60 Ca -0.05 0.05 -0.00 0.00 -1.18 0.00 0.00 61.69 60.51 3kni s THR 60 Cb -0.19 -3.86 -0.03 0.00 1.34 0.00 0.00 72.50 69.75 3kni s THR 60 CO -0.02 -0.78 -0.03 0.72 -0.54 0.00 0.00 174.62 173.97 3kni s PHE 61 N -2.64 0.41 0.06 3.99 -0.12 -0.34 0.89 117.98 120.24 3kni s PHE 61 Ca 0.46 -0.81 0.05 0.00 -0.05 0.00 0.00 56.93 56.57 3kni s PHE 61 Cb -0.10 -0.30 -0.03 0.00 -0.63 0.00 0.00 43.02 41.96 3kni s PHE 61 CO 0.43 -0.28 -0.14 0.95 -0.05 0.00 0.00 175.22 176.12 3kni s THR 62 N -2.77 1.10 0.17 -4.49 -4.23 -0.22 -0.86 115.64 104.34 3kni s THR 62 Ca -0.03 -1.24 0.10 0.00 -1.18 0.00 0.00 61.69 59.34 3kni s THR 62 Cb -0.00 -1.05 -0.04 0.00 1.34 0.00 0.00 72.50 72.75 3kni s THR 62 CO -0.06 -0.18 -0.22 -0.69 -0.54 0.00 0.00 174.62 172.93 3kni s VAL 63 N -1.19 2.07 -0.06 2.29 1.01 0.50 -2.69 120.40 122.33 3kni s VAL 63 Ca -0.01 -1.90 0.03 0.00 0.00 0.00 0.00 61.98 60.09 3kni s VAL 63 Cb -0.10 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.36 3kni s VAL 63 CO 0.02 -0.16 -0.13 -0.60 0.00 0.00 0.00 175.10 174.23 3kni s ARG 64 N -2.56 1.78 0.30 2.72 3.52 -0.80 -1.40 118.95 122.51 3kni s ARG 64 Ca 0.16 -0.45 0.03 0.00 -0.13 0.00 0.00 55.73 55.34 3kni s ARG 64 Cb -0.08 -1.46 -0.06 0.00 -1.56 0.00 0.00 34.95 31.80 3kni s ARG 64 CO 0.08 0.05 0.08 0.21 -0.81 0.00 0.00 175.30 174.91 3kni s LYS 65 N 0.59 1.56 -0.42 5.12 2.47 -1.01 -1.96 119.74 126.10 3kni s LYS 65 Ca -0.14 -1.86 0.02 0.00 -1.56 0.00 0.00 55.97 52.42 3kni s LYS 65 Cb -0.15 -0.59 0.13 0.00 -1.46 0.00 0.00 37.83 35.76 3kni s LYS 65 CO 0.04 -0.25 0.21 0.08 0.16 0.00 0.00 175.35 175.59 3kni s VAL 66 N -3.49 1.34 -0.70 4.02 1.01 -1.26 -0.87 120.40 120.45 3kni s VAL 66 Ca 0.37 -2.37 -0.17 0.00 0.00 0.00 0.00 61.98 59.81 3kni s VAL 66 Cb 0.08 -1.95 0.15 0.00 0.00 0.00 0.00 36.38 34.66 3kni s VAL 66 CO 0.15 -0.85 0.74 -0.55 0.00 0.00 0.00 175.10 174.58 3kni s SER 67 N 0.57 6.43 0.35 3.32 0.15 0.53 -4.86 113.70 120.19 3kni s SER 67 Ca 0.16 -2.00 0.00 0.00 0.70 0.00 0.00 55.95 54.82 3kni s SER 67 Cb -0.23 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 3kni s SER 67 CO -0.03 -0.88 0.00 -1.22 1.20 0.00 0.00 173.24 172.31 3kni n TYR 68 N 5.37 -3.94 0.00 3.44 0.53 -1.26 -3.85 117.16 117.45 3kni n TYR 68 Ca 0.01 2.06 0.00 0.00 -1.02 0.00 0.00 57.90 58.96 3kni n TYR 68 Cb 0.44 -3.28 0.00 0.00 -1.03 0.00 0.00 39.34 35.47 3kni n TYR 68 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3kni n GLY 69 N 0.03 0.00 3.64 2.72 0.00 -1.26 -4.20 105.19 106.12 3kni n GLY 69 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 3kni n GLY 69 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kni n VAL 70 N 0.00 0.73 -3.81 1.61 0.31 -1.25 -4.97 118.33 110.96 3kni n VAL 70 Ca 0.00 -0.18 -0.36 0.00 -0.01 0.00 0.00 64.34 63.78 3kni n VAL 70 Cb 0.00 -1.28 -0.13 0.00 -0.91 0.00 0.00 33.84 31.52 3kni n VAL 70 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3kni s GLY 71 N 0.32 1.72 0.42 2.92 0.00 -1.26 -0.35 107.32 111.09 3kni s GLY 71 Ca 0.72 -1.25 0.01 0.00 0.00 0.00 0.00 44.72 44.19 3kni s GLY 71 CO 0.48 0.54 0.63 0.14 0.00 0.00 0.00 173.10 174.89 3kni s VAL 72 N 1.53 4.33 -0.19 1.40 1.01 -0.05 -4.89 120.40 123.54 3kni s VAL 72 Ca 0.05 -0.49 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 3kni s VAL 72 Cb -0.16 -3.59 0.08 0.00 0.00 0.00 0.00 36.38 32.71 3kni s VAL 72 CO 0.01 -0.40 0.17 -1.61 0.00 0.00 0.00 175.10 173.27 3kni s GLU 73 N -4.48 0.14 -0.11 2.72 2.02 -1.26 -2.39 118.70 115.33 3kni s GLU 73 Ca 0.46 0.10 -0.07 0.00 0.02 0.00 0.00 54.97 55.48 3kni s GLU 73 Cb -0.10 -1.44 -0.04 0.00 0.10 0.00 0.00 34.13 32.65 3kni s GLU 73 CO 0.37 -0.66 0.15 1.03 0.02 0.00 0.00 175.26 176.17 3kni s ARG 74 N 2.25 3.45 0.06 1.61 1.81 -0.49 -4.99 118.95 122.65 3kni s ARG 74 Ca 0.05 -0.13 0.06 0.00 -1.72 0.00 0.00 55.73 53.99 3kni s ARG 74 Cb -0.16 -3.19 -0.04 0.00 -0.45 0.00 0.00 34.95 31.12 3kni s ARG 74 CO -0.11 0.78 -0.12 0.42 -0.68 0.00 0.00 175.30 175.59 3kni s ILE 75 N -1.04 3.25 0.12 1.52 1.01 -1.26 -0.37 121.20 124.43 3kni s ILE 75 Ca 0.16 -1.13 0.04 0.00 0.00 0.00 0.00 60.65 59.71 3kni s ILE 75 Cb -0.12 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 3kni s ILE 75 CO 0.05 0.25 -0.09 -0.36 0.00 0.00 0.00 174.94 174.78 3kni s PHE 76 N -1.07 1.12 -0.98 3.97 0.40 -0.04 -4.94 117.98 116.44 3kni s PHE 76 Ca 0.18 -0.76 0.23 0.00 -0.60 0.00 0.00 56.93 55.99 3kni s PHE 76 Cb -0.11 -0.60 0.15 0.00 0.51 0.00 0.00 43.02 42.97 3kni s PHE 76 CO 0.10 0.01 1.16 -2.30 0.70 0.00 0.00 175.22 174.88 3kni n PRO 77 N 0.09 0.02 -0.93 0.24 -0.02 -1.26 -1.20 135.00 131.93 3kni n PRO 77 Ca -0.13 -0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 3kni n PRO 77 Cb 0.60 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.57 3kni n PRO 77 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3kni n LEU 78 N -1.52 0.39 -3.74 2.45 0.00 -1.26 -4.27 117.00 109.04 3kni n LEU 78 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 56.01 55.92 3kni n LEU 78 Cb 0.34 -1.03 -0.10 0.00 0.00 0.00 0.00 43.42 42.63 3kni n LEU 78 CO 0.39 -0.32 0.05 -1.00 0.00 0.00 0.00 177.39 176.51 3kni s HIS 79 N -2.04 -0.36 0.00 1.96 3.76 -1.26 -4.84 115.29 112.52 3kni s HIS 79 Ca 0.00 0.81 0.00 0.00 -0.15 0.00 0.00 55.06 55.72 3kni s HIS 79 Cb 0.00 0.14 0.00 0.00 1.11 0.00 0.00 32.58 33.83 3kni s HIS 79 CO 0.00 -0.26 0.00 0.45 -0.85 0.00 0.00 174.74 174.08 3kni n SER 80 N 2.39 0.00 -3.66 1.40 2.88 -1.26 -4.89 113.62 110.47 3kni n SER 80 Ca -0.16 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.11 3kni n SER 80 Cb 0.57 -0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.91 3kni n SER 80 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3kni s PRO 81 N 0.00 1.64 -0.32 -1.46 0.04 -1.26 -4.93 135.00 128.71 3kni s PRO 81 Ca 0.00 -2.65 -0.10 0.00 0.04 0.00 0.00 61.00 58.30 3kni s PRO 81 Cb 0.00 -2.42 0.21 0.00 0.04 0.00 0.00 34.50 32.33 3kni s PRO 81 CO 0.00 -1.32 1.14 -0.51 0.04 0.00 0.00 177.00 176.35 3kni s LEU 82 N -0.58 -0.14 0.00 -3.56 1.02 -0.62 -4.09 118.68 110.71 3kni s LEU 82 Ca 0.27 -0.13 0.00 0.00 0.02 0.00 0.00 54.13 54.30 3kni s LEU 82 Cb -0.03 0.18 0.00 0.00 0.02 0.00 0.00 46.19 46.35 3kni s LEU 82 CO -0.16 -0.01 0.16 2.30 0.02 0.00 0.00 176.35 178.66 3kni n ILE 83 N 2.89 0.00 -3.49 -0.59 -5.35 -1.22 -4.51 119.36 107.09 3kni n ILE 83 Ca 0.09 0.52 -0.19 0.00 -0.27 0.00 0.00 62.75 62.89 3kni n ILE 83 Cb 0.65 -0.87 -0.01 0.00 -1.74 0.00 0.00 39.64 37.67 3kni n ILE 83 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kni s GLN 84 N -0.46 2.98 -0.22 6.28 1.03 -1.26 -5.09 119.66 122.91 3kni s GLN 84 Ca 0.00 -1.12 -0.03 0.00 0.04 0.00 0.00 55.36 54.24 3kni s GLN 84 Cb 0.00 -2.72 0.11 0.00 0.03 0.00 0.00 33.01 30.43 3kni s GLN 84 CO 0.00 0.02 0.28 0.15 -2.54 0.00 0.00 175.29 173.20 3kni s LYS 85 N -4.15 0.25 0.12 9.60 1.02 -1.26 -4.33 119.74 120.98 3kni s LYS 85 Ca 0.45 0.31 0.02 0.00 0.02 0.00 0.00 55.97 56.77 3kni s LYS 85 Cb -0.08 -0.95 -0.04 0.00 -0.52 0.00 0.00 37.83 36.23 3kni s LYS 85 CO 0.30 -0.66 -0.07 -1.50 -0.92 0.00 0.00 175.35 172.50 3kni s ILE 86 N 2.40 0.81 0.03 2.17 2.07 -1.26 -4.28 121.20 123.14 3kni s ILE 86 Ca 0.09 -1.97 0.03 0.00 -1.41 0.00 0.00 60.65 57.39 3kni s ILE 86 Cb -0.16 -1.77 -0.02 0.00 0.13 0.00 0.00 42.46 40.65 3kni s ILE 86 CO -0.14 -0.80 -0.10 1.51 -1.91 0.00 0.00 174.94 173.50 3kni s ASP 87 N -3.09 1.19 0.00 4.50 -4.77 -1.26 -3.81 116.67 109.44 3kni s ASP 87 Ca 0.14 -0.39 0.00 0.00 -3.30 0.00 0.00 52.55 49.00 3kni s ASP 87 Cb 0.05 -0.06 0.00 0.00 -1.09 0.00 0.00 42.92 41.82 3kni s ASP 87 CO -0.03 -0.02 0.00 -0.38 0.70 0.00 0.00 175.17 175.45 3kni n ILE 88 N 2.06 0.00 -1.67 2.11 5.41 -1.26 -4.88 119.36 121.14 3kni n ILE 88 Ca -0.18 0.00 -0.52 0.00 1.00 0.00 0.00 62.75 63.05 3kni n ILE 88 Cb 0.56 -0.01 -0.06 0.00 -0.71 0.00 0.00 39.64 39.41 3kni n ILE 88 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3kni n VAL 89 N 0.00 0.42 -2.88 1.39 0.31 -1.26 -4.76 118.33 111.55 3kni n VAL 89 Ca 0.00 -0.11 -0.43 0.00 -0.01 0.00 0.00 64.34 63.79 3kni n VAL 89 Cb 0.00 -1.59 -0.04 0.00 -0.91 0.00 0.00 33.84 31.30 3kni n VAL 89 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3kni s GLN 90 N 4.16 3.29 0.00 5.55 -0.21 -1.26 -3.65 119.66 127.54 3kni s GLN 90 Ca 0.97 -0.38 0.00 0.00 0.02 0.00 0.00 55.36 55.97 3kni s GLN 90 Cb -0.87 -4.07 0.00 0.00 1.00 0.00 0.00 33.01 29.07 3kni s GLN 90 CO 0.57 -1.48 0.00 0.54 -2.12 0.00 0.00 175.29 172.81 3kni n ARG 91 N 7.32 0.00 0.00 2.91 1.74 -1.26 -2.07 116.66 125.30 3kni n ARG 91 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3kni n ARG 91 Cb 0.47 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.91 3kni n ARG 91 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kni n GLY 92 N 3.24 0.74 4.80 -0.13 0.00 -1.26 -3.58 105.19 109.00 3kni n GLY 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kni n GLY 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kni n ARG 93 N 0.00 0.00 0.00 1.61 0.63 -1.26 -4.12 116.66 113.52 3kni n ARG 93 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3kni n ARG 93 Cb 0.00 -3.70 0.00 0.00 0.45 0.00 0.00 32.46 29.21 3kni n ARG 93 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kni n ALA 94 N 0.89 -0.42 0.43 5.13 0.00 -1.26 -4.80 120.51 120.49 3kni n ALA 94 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3kni n ALA 94 Cb 0.00 0.00 0.36 0.00 0.00 0.00 0.00 19.45 19.81 3kni n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kni h ARG 95 N 0.91 0.00 -3.39 0.00 2.47 -1.93 -3.45 114.38 108.98 3kni h ARG 95 Ca 0.00 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.59 3kni h ARG 95 Cb 0.00 0.00 -0.19 0.00 -1.65 0.00 0.00 29.97 28.13 3kni h ARG 95 CO 0.00 0.00 -0.40 -0.98 0.56 0.00 0.00 179.97 179.15 3kni s ARG 96 N -3.22 0.60 0.00 0.04 1.70 -1.26 -5.13 118.95 111.69 3kni s ARG 96 Ca 0.08 -0.42 0.00 0.00 -0.47 0.00 0.00 55.73 54.92 3kni s ARG 96 Cb 0.09 0.26 0.00 0.00 -0.57 0.00 0.00 34.95 34.73 3kni s ARG 96 CO 0.59 -0.16 0.53 0.00 -1.08 0.00 0.00 175.30 175.18 3kni n ALA 97 N 1.15 -0.03 -2.50 7.88 0.00 -1.26 -4.31 120.51 121.44 3kni n ALA 97 Ca -0.21 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.83 3kni n ALA 97 Cb 0.57 0.03 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 3kni n ALA 97 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3kni s LYS 98 N -1.13 3.35 -1.10 0.00 3.01 -1.26 -4.76 119.74 117.86 3kni s LYS 98 Ca 0.00 -0.71 -0.09 0.00 -1.01 0.00 0.00 55.97 54.16 3kni s LYS 98 Cb 0.00 -4.91 0.27 0.00 -1.01 0.00 0.00 37.83 32.19 3kni s LYS 98 CO 0.00 -2.28 1.09 -0.48 0.51 0.00 0.00 175.35 174.19 3kni s LEU 99 N 5.72 6.37 0.01 3.17 0.05 -1.07 -4.79 118.68 128.14 3kni s LEU 99 Ca 0.45 -3.54 -0.04 0.00 0.05 0.00 0.00 54.13 51.05 3kni s LEU 99 Cb -0.04 -2.21 -0.28 0.00 -2.05 0.00 0.00 46.19 41.61 3kni s LEU 99 CO 0.00 -0.31 0.90 1.88 -0.55 0.00 0.00 176.35 178.27 3kni h TYR 100 N 6.74 0.49 -0.84 3.48 -1.99 -1.92 -3.37 116.97 119.56 3kni h TYR 100 Ca 0.17 -0.36 0.31 0.00 2.00 0.00 0.00 58.73 60.85 3kni h TYR 100 Cb 0.88 -0.02 -0.10 0.00 2.00 0.00 0.00 36.73 39.49 3kni h TYR 100 CO 0.78 1.38 0.52 1.97 -0.00 0.00 0.00 178.16 182.81 3kni n PHE 101 N -3.48 0.56 -0.27 4.88 -1.74 -1.26 0.16 117.46 116.30 3kni n PHE 101 Ca -0.15 0.56 0.03 0.00 -0.56 0.00 0.00 57.45 57.33 3kni n PHE 101 Cb 1.04 -0.97 0.11 0.00 1.52 0.00 0.00 39.48 41.18 3kni n PHE 101 CO 0.00 0.00 0.00 -0.84 -0.56 0.00 0.00 176.76 175.36 3kni h ILE 102 N 0.00 0.23 -0.75 1.97 3.07 -1.88 -1.18 117.51 118.98 3kni h ILE 102 Ca 0.58 -0.00 0.13 0.00 1.55 0.00 0.00 64.86 67.11 3kni h ILE 102 Cb 1.76 0.22 -0.13 0.00 -0.27 0.00 0.00 36.82 38.40 3kni h ILE 102 CO -0.37 0.00 -0.25 0.54 -1.05 0.00 0.00 178.15 177.03 3kni n ARG 103 N -5.48 -0.13 0.21 0.16 1.74 0.41 -1.05 116.66 112.52 3kni n ARG 103 Ca 0.12 1.16 0.13 0.00 -0.77 0.00 0.00 57.85 58.48 3kni n ARG 103 Cb 0.42 -1.72 0.29 0.00 -1.02 0.00 0.00 32.46 30.43 3kni n ARG 103 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 3kni h ASN 104 N 0.00 0.00 -0.64 0.55 4.21 -1.40 -3.38 115.58 114.91 3kni h ASN 104 Ca 0.30 0.00 -0.32 0.00 1.21 0.00 0.00 56.30 57.49 3kni h ASN 104 Cb 0.49 0.00 -0.23 0.00 -1.12 0.00 0.00 38.32 37.46 3kni h ASN 104 CO -0.76 0.00 -0.68 0.18 -1.29 0.00 0.00 177.43 174.88 3kni n LEU 105 N -2.93 -1.55 -4.66 1.61 4.77 -0.33 -5.12 117.00 108.79 3kni n LEU 105 Ca 0.04 -3.99 -0.31 0.00 -0.03 0.00 0.00 56.01 51.72 3kni n LEU 105 Cb 0.47 0.84 -0.09 0.00 -2.33 0.00 0.00 43.42 42.31 3kni n LEU 105 CO 0.32 2.10 -0.35 -0.94 -1.33 0.00 0.00 177.39 177.19 3kni s SER 106 N -1.60 4.90 0.00 -1.43 1.04 -0.21 -4.45 113.70 111.95 3kni s SER 106 Ca 0.30 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.55 3kni s SER 106 Cb 0.27 -1.15 0.00 0.00 0.10 0.00 0.00 66.02 65.24 3kni s SER 106 CO -0.11 0.20 0.00 -0.90 0.98 0.00 0.00 173.24 173.41 3kni n ASP 107 N 0.83 0.00 -0.06 7.02 5.75 -1.26 -4.87 116.55 123.95 3kni n ASP 107 Ca -0.12 0.00 0.03 0.00 -0.01 0.00 0.00 54.79 54.68 3kni n ASP 107 Cb 0.52 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.60 3kni n ASP 107 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3kni n ARG 108 N 0.00 3.83 0.00 0.11 0.63 -1.26 -4.53 116.66 115.44 3kni n ARG 108 Ca 0.00 -0.22 -0.15 0.00 -0.92 0.00 0.00 57.85 56.55 3kni n ARG 108 Cb 0.00 -0.85 -0.14 0.00 0.45 0.00 0.00 32.46 31.92 3kni n ARG 108 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 3kni h GLU 109 N 0.31 0.15 -0.86 -0.14 5.08 -1.89 -3.28 114.58 113.94 3kni h GLU 109 Ca 0.00 -0.25 0.07 0.00 -1.00 0.00 0.00 59.36 58.18 3kni h GLU 109 Cb 0.16 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.44 3kni h GLU 109 CO 0.00 0.89 0.52 0.82 -1.00 0.00 0.00 179.01 180.25 3kni h ILE 110 N 0.04 1.00 -0.99 3.13 2.04 -1.80 1.38 117.51 122.32 3kni h ILE 110 Ca -0.34 -0.32 0.25 0.00 1.00 0.00 0.00 64.86 65.45 3kni h ILE 110 Cb 2.02 -0.01 -0.13 0.00 -0.74 0.00 0.00 36.82 37.97 3kni h ILE 110 CO 0.09 0.17 0.56 0.03 0.00 0.00 0.00 178.15 179.00 3kni h ARG 111 N 0.93 0.50 0.00 2.37 3.08 -1.80 0.85 114.38 120.31 3kni h ARG 111 Ca 0.39 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.41 3kni h ARG 111 Cb 0.24 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3kni h ARG 111 CO -0.20 0.33 0.00 0.54 -1.07 0.00 0.00 179.97 179.58 3kni n ARG 112 N -4.93 0.00 -0.36 0.04 1.74 0.46 -3.92 116.66 109.69 3kni n ARG 112 Ca 0.27 0.14 0.30 0.00 -0.77 0.00 0.00 57.85 57.79 3kni n ARG 112 Cb 0.77 -0.91 0.62 0.00 -1.02 0.00 0.00 32.46 31.91 3kni n ARG 112 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3kni h LYS 113 N 0.00 0.20 -3.67 5.56 1.79 -0.92 -2.54 116.57 116.99 3kni h LYS 113 Ca 0.00 -0.01 -0.79 0.00 -2.18 0.00 0.00 60.65 57.66 3kni h LYS 113 Cb 0.00 -0.05 -0.27 0.00 -1.58 0.00 0.00 32.23 30.33 3kni h LYS 113 CO 0.00 0.13 0.30 -0.51 -1.08 0.00 0.00 179.45 178.29 3kni s LEU 114 N -9.17 6.51 -0.01 2.94 1.43 0.29 -4.79 118.68 115.88 3kni s LEU 114 Ca -0.07 -3.22 -0.13 0.00 -1.03 0.00 0.00 54.13 49.67 3kni s LEU 114 Cb 0.25 -2.20 -0.07 0.00 0.03 0.00 0.00 46.19 44.20 3kni s LEU 114 CO 0.81 -0.40 0.74 0.03 0.23 0.00 0.00 176.35 177.76 3kni h ARG 115 N 7.12 -0.45 0.00 1.70 2.47 -1.58 -3.40 114.38 120.23 3kni h ARG 115 Ca 0.15 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.90 3kni h ARG 115 Cb 0.94 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.37 3kni h ARG 115 CO 0.90 -0.30 0.00 0.00 0.56 0.00 0.00 179.97 181.13 3kni n ALA 116 N -2.46 0.00 -2.67 0.04 0.00 -1.26 -4.72 120.51 109.44 3kni n ALA 116 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.96 3kni n ALA 116 Cb 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.61 3kni n ALA 116 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kni s ASP 117 N 0.00 6.60 0.21 0.00 -1.08 -0.88 -4.79 116.67 116.73 3kni s ASP 117 Ca 0.00 -1.80 -0.09 0.00 -0.52 0.00 0.00 52.55 50.14 3kni s ASP 117 Cb 0.00 -2.52 0.22 0.00 -1.46 0.00 0.00 42.92 39.16 3kni s ASP 117 CO 0.00 -1.32 1.83 0.03 0.52 0.00 0.00 175.17 176.23 3kni h ARG 118 N 9.16 0.77 -1.01 4.34 3.08 -1.95 0.55 114.38 129.31 3kni h ARG 118 Ca 0.22 -0.05 0.24 0.00 0.07 0.00 0.00 59.98 60.47 3kni h ARG 118 Cb 0.99 -0.17 -0.10 0.00 0.08 0.00 0.00 29.97 30.77 3kni h ARG 118 CO 1.34 0.51 0.63 -0.22 -1.07 0.00 0.00 179.97 181.16 3kni h LYS 119 N 0.79 0.50 0.00 0.04 3.64 -1.95 -0.15 116.57 119.44 3kni h LYS 119 Ca 0.30 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.49 3kni h LYS 119 Cb 0.11 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 3kni h LYS 119 CO -0.15 0.33 -1.49 0.54 -2.27 0.00 0.00 179.45 176.42 3kni n ARG 120 N -4.70 0.63 -0.06 1.90 1.74 -0.67 -3.06 116.66 112.43 3kni n ARG 120 Ca 0.25 0.18 -0.09 0.00 -0.77 0.00 0.00 57.85 57.41 3kni n ARG 120 Cb 0.76 -1.77 -0.02 0.00 -1.02 0.00 0.00 32.46 30.41 3kni n ARG 120 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3kni h ILE 121 N 0.00 1.01 0.07 0.55 1.08 0.80 -3.22 117.51 117.80 3kni h ILE 121 Ca -0.17 -0.09 -0.22 0.00 -0.39 0.00 0.00 64.86 63.99 3kni h ILE 121 Cb 1.56 0.72 0.02 0.00 -3.07 0.00 0.00 36.82 36.04 3kni h ILE 121 CO 0.04 0.05 -0.90 0.44 -0.69 0.00 0.00 178.15 177.09 3kni h ASP 122 N 0.27 0.67 0.00 1.72 3.45 -1.34 -2.93 116.42 118.25 3kni h ASP 122 Ca 0.10 -0.82 0.00 0.00 0.43 0.00 0.00 57.03 56.73 3kni h ASP 122 Cb 0.01 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 38.57 3kni h ASP 122 CO -0.06 1.42 0.00 0.00 -1.57 0.00 0.00 179.24 179.03 3kni n GLN 123 N -4.03 0.32 0.00 3.56 10.64 -1.17 0.55 117.38 127.24 3kni n GLN 123 Ca -0.12 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.05 3kni n GLN 123 Cb 0.83 -1.26 0.00 0.00 -0.86 0.00 0.00 30.24 28.94 3kni n GLN 123 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 3kni n ASP 124 N 0.63 1.31 0.21 2.61 8.00 -1.19 -4.49 116.55 123.63 3kni n ASP 124 Ca 0.00 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.55 3kni n ASP 124 Cb 0.13 0.12 0.46 0.00 -0.02 0.00 0.00 41.12 41.80 3kni n ASP 124 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3kni h ARG 125 N 0.00 0.00 0.00 -1.24 2.47 0.29 0.18 114.38 116.08 3kni h ARG 125 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3kni h ARG 125 Cb 0.27 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.59 3kni h ARG 125 CO 0.00 0.27 0.00 0.00 0.56 0.00 0.00 179.97 180.80 3kni h ALA 126 N 1.73 1.00 0.00 0.04 0.00 -1.57 -2.98 119.26 117.49 3kni h ALA 126 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kni h ALA 126 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3kni h ALA 126 CO 0.03 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.28 3kni h ALA 127 N 2.31 1.00 0.00 0.00 0.00 -0.85 -3.14 119.26 118.57 3kni h ALA 127 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kni h ALA 127 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3kni h ALA 127 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 179.25 178.40 3kni n GLU 128 N -2.58 0.00 -1.03 0.00 -0.00 -1.13 -4.16 120.64 111.75 3kni n GLU 128 Ca 0.03 0.00 -0.34 0.00 -0.00 0.00 0.00 57.16 56.85 3kni n GLU 128 Cb 0.33 -1.00 -0.03 0.00 -0.00 0.00 0.00 31.44 30.74 3kni n GLU 128 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 3kni n ARG 129 N 0.04 1.96 -0.01 3.44 3.00 -1.19 -3.12 116.66 120.79 3kni n ARG 129 Ca 0.00 -1.75 0.01 0.00 -0.00 0.00 0.00 57.85 56.10 3kni n ARG 129 Cb 0.00 -2.74 0.01 0.00 0.00 0.00 0.00 32.46 29.73 3kni n ARG 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3kni n ALA 130 N 5.79 2.31 -0.89 5.13 0.00 -1.26 -5.03 120.51 126.56 3kni n ALA 130 Ca 0.49 -0.72 -0.37 0.00 0.00 0.00 0.00 53.44 52.84 3kni n ALA 130 Cb 0.28 -0.05 -0.06 0.00 0.00 0.00 0.00 19.45 19.61 3kni n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kni n ALA 131 N -0.10 -0.44 -1.40 0.00 0.00 -1.18 -4.58 120.51 112.81 3kni n ALA 131 Ca 0.01 0.22 -0.18 0.00 0.00 0.00 0.00 53.44 53.49 3kni n ALA 131 Cb 0.13 -1.13 -0.12 0.00 0.00 0.00 0.00 19.45 18.34 3kni n ALA 131 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3kni n LYS 132 N 3.02 0.07 -1.34 0.00 2.85 -1.26 -4.80 118.16 116.71 3kni n LYS 132 Ca 0.23 -1.56 -0.38 0.00 -1.05 0.00 0.00 58.31 55.55 3kni n LYS 132 Cb -0.03 -3.66 -0.02 0.00 -0.65 0.00 0.00 35.03 30.67 3kni n LYS 132 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 3kni n GLU 133 N 8.02 2.96 -5.01 -1.58 4.07 -1.26 -4.85 120.64 122.99 3kni n GLU 133 Ca 0.41 -2.17 -0.29 0.00 -0.06 0.00 0.00 57.16 55.04 3kni n GLU 133 Cb 0.46 -2.91 -0.17 0.00 -0.06 0.00 0.00 31.44 28.76 3kni n GLU 133 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 3kni s GLU 134 N 2.98 2.44 0.00 5.31 2.56 -1.26 -4.83 118.70 125.91 3kni s GLU 134 Ca 0.57 -0.73 0.00 0.00 0.00 0.00 0.00 54.97 54.81 3kni s GLU 134 Cb 0.15 -1.94 0.00 0.00 2.00 0.00 0.00 34.13 34.34 3kni s GLU 134 CO -0.05 0.18 0.00 0.00 -0.56 0.00 0.00 175.26 174.83 3kni n ALA 135 N 3.45 0.00 -0.07 6.30 0.00 -1.26 -4.89 120.51 124.03 3kni n ALA 135 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3kni n ALA 135 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3kni n ALA 135 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3kni n GLN 136 N -0.75 0.00 -1.19 0.00 -0.06 -1.26 -4.72 117.38 109.40 3kni n GLN 136 Ca 0.00 0.03 -0.20 0.00 -2.00 0.00 0.00 57.00 54.83 3kni n GLN 136 Cb 0.00 -0.49 -0.05 0.00 -4.06 0.00 0.00 30.24 25.63 3kni n GLN 136 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 3kni n LYS 137 N -2.39 2.10 0.00 3.69 4.76 -1.26 -5.26 118.16 119.79 3kni n LYS 137 Ca 0.00 -1.75 0.00 0.00 -2.87 0.00 0.00 58.31 53.69 3kni n LYS 137 Cb 0.00 -1.92 0.00 0.00 -1.84 0.00 0.00 35.03 31.27 3kni n LYS 137 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03