#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kni s GLU 2 N 0.00 1.11 -0.16 2.12 -1.05 -1.26 -4.23 118.70 115.23 3kni s GLU 2 Ca 0.00 -0.45 -0.06 0.00 -0.15 0.00 0.00 54.97 54.32 3kni s GLU 2 Cb 0.00 0.49 0.08 0.00 -0.44 0.00 0.00 34.13 34.26 3kni s GLU 2 CO 0.00 -0.49 0.33 0.00 0.95 0.00 0.00 175.26 176.05 3kni s ALA 3 N -3.46 -0.81 0.92 -0.84 0.00 -0.52 -4.92 121.76 112.12 3kni s ALA 3 Ca 0.04 1.14 -0.02 0.00 0.00 0.00 0.00 51.96 53.12 3kni s ALA 3 Cb -0.01 -1.17 0.03 0.00 0.00 0.00 0.00 23.12 21.97 3kni s ALA 3 CO -0.09 -0.72 0.19 1.63 0.00 0.00 0.00 175.76 176.78 3kni n LYS 4 N 5.37 -0.09 0.00 0.00 5.02 -1.26 -2.28 118.16 124.92 3kni n LYS 4 Ca -0.07 -0.33 0.00 0.00 -2.02 0.00 0.00 58.31 55.89 3kni n LYS 4 Cb 0.50 -0.19 0.00 0.00 -0.02 0.00 0.00 35.03 35.31 3kni n LYS 4 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kni n ALA 5 N -3.11 0.17 -1.70 7.82 0.00 -1.22 -4.53 120.51 117.95 3kni n ALA 5 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3kni n ALA 5 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 3kni n ALA 5 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3kni n ILE 6 N -1.67-10.56 -3.85 0.00 5.41 -1.19 -4.94 119.36 102.56 3kni n ILE 6 Ca 0.00 2.64 -0.36 0.00 1.00 0.00 0.00 62.75 66.04 3kni n ILE 6 Cb 0.00 -4.63 -0.13 0.00 -0.71 0.00 0.00 39.64 34.17 3kni n ILE 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kni s ALA 7 N -0.52 2.94 0.57 -1.39 0.00 0.17 -4.91 121.76 118.62 3kni s ALA 7 Ca 0.00 -1.18 -0.01 0.00 0.00 0.00 0.00 51.96 50.77 3kni s ALA 7 Cb 0.00 -1.86 0.03 0.00 0.00 0.00 0.00 23.12 21.30 3kni s ALA 7 CO 0.00 -0.49 0.81 1.03 0.00 0.00 0.00 175.76 177.11 3kni s ARG 8 N 1.52 2.56 -1.43 0.00 1.81 -1.26 -1.46 118.95 120.69 3kni s ARG 8 Ca 0.06 -0.60 -0.18 0.00 -1.72 0.00 0.00 55.73 53.28 3kni s ARG 8 Cb -0.15 -2.42 0.18 0.00 -0.45 0.00 0.00 34.95 32.11 3kni s ARG 8 CO -0.01 -0.76 0.45 0.66 -0.68 0.00 0.00 175.30 174.97 3kni n TYR 9 N -2.44 -1.03 0.30 -0.53 0.53 -1.20 -4.77 117.16 108.02 3kni n TYR 9 Ca 0.07 0.52 0.01 0.00 -1.02 0.00 0.00 57.90 57.49 3kni n TYR 9 Cb 0.59 -1.48 0.08 0.00 -1.03 0.00 0.00 39.34 37.50 3kni n TYR 9 CO 0.00 0.00 0.00 0.28 -1.02 0.00 0.00 176.86 176.12 3kni n VAL 10 N -3.34 0.00 -3.80 -0.72 0.31 0.41 -4.76 118.33 106.42 3kni n VAL 10 Ca 0.09 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.14 3kni n VAL 10 Cb 0.38 -0.71 0.00 0.00 -0.91 0.00 0.00 33.84 32.60 3kni n VAL 10 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3kni n ARG 11 N -0.78 -1.14 -3.61 5.55 0.00 -1.26 -4.59 116.66 110.83 3kni n ARG 11 Ca 0.02 0.51 -0.09 0.00 -0.00 0.00 0.00 57.85 58.30 3kni n ARG 11 Cb 0.01 -2.07 -0.06 0.00 0.00 0.00 0.00 32.46 30.34 3kni n ARG 11 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 3kni s ILE 12 N -3.10 0.00 -0.18 5.15 2.07 -1.02 -4.90 121.20 119.23 3kni s ILE 12 Ca 0.11 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.07 3kni s ILE 12 Cb -0.06 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.48 3kni s ILE 12 CO 0.85 0.00 1.95 -0.55 -1.91 0.00 0.00 174.94 175.28 3kni s SER 13 N -0.59 5.96 0.00 4.50 0.15 -1.25 -3.18 113.70 119.29 3kni s SER 13 Ca 0.02 1.90 0.00 0.00 0.70 0.00 0.00 55.95 58.57 3kni s SER 13 Cb -0.02 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 3kni s SER 13 CO -0.03 -1.56 0.07 -2.65 1.20 0.00 0.00 173.24 170.27 3kni n PRO 14 N 8.18 0.00 -0.06 5.44 -0.02 -1.26 0.05 135.00 147.33 3kni n PRO 14 Ca 0.24 0.07 0.02 0.00 -2.02 0.00 0.00 63.50 61.81 3kni n PRO 14 Cb 0.44 -0.41 0.05 0.00 -0.02 0.00 0.00 33.50 33.56 3kni n PRO 14 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3kni n ARG 15 N -0.18 -0.01 0.01 -0.52 0.63 -1.26 0.13 116.66 115.46 3kni n ARG 15 Ca 0.00 0.27 -0.01 0.00 -0.92 0.00 0.00 57.85 57.19 3kni n ARG 15 Cb 0.00 -0.42 -0.00 0.00 0.45 0.00 0.00 32.46 32.49 3kni n ARG 15 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 3kni h LYS 16 N 0.00 -0.04 -0.09 -0.14 1.79 -0.76 -1.61 116.57 115.72 3kni h LYS 16 Ca 0.10 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.60 3kni h LYS 16 Cb 0.20 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.85 3kni h LYS 16 CO -0.17 -0.02 0.08 -0.39 -1.08 0.00 0.00 179.45 177.87 3kni h VAL 17 N -0.04 0.72 -0.88 0.50 -1.51 0.18 -0.96 116.25 114.26 3kni h VAL 17 Ca -0.00 0.00 0.20 0.00 -1.23 0.00 0.00 66.70 65.67 3kni h VAL 17 Cb 0.03 0.94 -0.12 0.00 -2.13 0.00 0.00 31.29 30.01 3kni h VAL 17 CO -0.00 0.00 0.40 0.03 -1.23 0.00 0.00 177.57 176.77 3kni h ARG 18 N 0.00 0.44 -0.38 5.19 3.08 0.93 0.14 114.38 123.78 3kni h ARG 18 Ca 0.04 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.14 3kni h ARG 18 Cb 0.21 -0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.09 3kni h ARG 18 CO -0.00 0.29 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.09 3kni h LEU 19 N 0.45 -0.22 -0.15 3.04 -0.00 -0.55 -0.36 115.31 117.52 3kni h LEU 19 Ca 0.54 0.10 -0.00 0.00 -0.00 0.00 0.00 57.88 58.51 3kni h LEU 19 Cb 0.97 0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 41.80 3kni h LEU 19 CO -0.49 -0.07 0.09 0.58 -0.00 0.00 0.00 178.44 178.55 3kni h VAL 20 N 0.07 1.08 -0.44 1.22 2.07 -1.14 -2.15 116.25 116.96 3kni h VAL 20 Ca 0.19 -0.21 0.06 0.00 0.82 0.00 0.00 66.70 67.56 3kni h VAL 20 Cb 0.27 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 3kni h VAL 20 CO -0.34 0.07 0.13 0.58 0.02 0.00 0.00 177.57 178.04 3kni h VAL 21 N 0.17 0.83 -0.77 2.57 2.07 -1.00 0.60 116.25 120.71 3kni h VAL 21 Ca 0.05 -0.10 0.22 0.00 0.82 0.00 0.00 66.70 67.70 3kni h VAL 21 Cb 0.04 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 3kni h VAL 21 CO -0.01 0.05 0.73 0.44 0.02 0.00 0.00 177.57 178.80 3kni h ASP 22 N 0.28 0.00 1.38 0.57 3.45 -0.46 0.95 116.42 122.60 3kni h ASP 22 Ca 0.21 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.67 3kni h ASP 22 Cb 0.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.00 3kni h ASP 22 CO -0.24 0.00 0.00 0.25 -1.57 0.00 0.00 179.24 177.68 3kni h LEU 23 N 0.00 0.00 -2.33 1.55 5.85 0.78 -3.32 115.31 117.84 3kni h LEU 23 Ca 0.36 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.08 3kni h LEU 23 Cb 1.82 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.85 3kni h LEU 23 CO -0.00 0.00 -0.02 2.30 -0.34 0.00 0.00 178.44 180.37 3kni n ILE 24 N -2.98 0.72 -1.95 4.05 -5.35 0.31 -4.94 119.36 109.22 3kni n ILE 24 Ca 0.02 -0.75 -0.42 0.00 -0.27 0.00 0.00 62.75 61.33 3kni n ILE 24 Cb 0.39 0.59 -0.02 0.00 -1.74 0.00 0.00 39.64 38.85 3kni n ILE 24 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3kni s ARG 25 N -0.81 4.23 0.00 6.28 3.52 -1.06 -2.52 118.95 128.59 3kni s ARG 25 Ca 0.03 2.37 0.00 0.00 -0.13 0.00 0.00 55.73 57.99 3kni s ARG 25 Cb 0.02 -3.10 0.00 0.00 -1.56 0.00 0.00 34.95 30.31 3kni s ARG 25 CO 0.00 -0.50 0.00 0.41 -0.81 0.00 0.00 175.30 174.41 3kni n GLY 26 N 2.49 1.49 3.68 8.12 0.00 0.57 -4.97 105.19 116.58 3kni n GLY 26 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 3kni n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kni s LYS 27 N 0.00 0.57 0.53 1.61 1.02 -1.05 -4.59 119.74 117.83 3kni s LYS 27 Ca 0.00 0.58 -0.16 0.00 0.02 0.00 0.00 55.97 56.41 3kni s LYS 27 Cb 0.00 -1.75 -0.07 0.00 -0.52 0.00 0.00 37.83 35.49 3kni s LYS 27 CO 0.00 -2.65 0.99 -1.54 -0.92 0.00 0.00 175.35 171.23 3kni s SER 28 N -3.44 6.57 0.02 2.83 1.04 -1.26 -1.56 113.70 117.90 3kni s SER 28 Ca 0.65 1.55 -0.08 0.00 0.48 0.00 0.00 55.95 58.55 3kni s SER 28 Cb -0.19 -2.50 -0.03 0.00 0.10 0.00 0.00 66.02 63.40 3kni s SER 28 CO 0.58 -0.62 1.13 0.25 0.98 0.00 0.00 173.24 175.55 3kni h LEU 29 N 0.76 -0.37 -0.53 2.42 5.85 -1.82 1.72 115.31 123.34 3kni h LEU 29 Ca -0.46 0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.39 3kni h LEU 29 Cb 1.19 0.14 -0.11 0.00 0.37 0.00 0.00 40.66 42.24 3kni h LEU 29 CO 0.62 -0.13 -0.32 -0.08 -0.34 0.00 0.00 178.44 178.19 3kni h GLU 30 N -0.18 -0.17 -0.70 1.25 4.81 -1.94 0.40 114.58 118.05 3kni h GLU 30 Ca -0.00 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.37 3kni h GLU 30 Cb 0.18 0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.51 3kni h GLU 30 CO -0.07 -0.11 0.26 1.49 -0.73 0.00 0.00 179.01 179.85 3kni h GLU 31 N -0.18 0.39 -0.14 1.92 4.81 -1.75 -1.78 114.58 117.86 3kni h GLU 31 Ca 0.22 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.28 3kni h GLU 31 Cb 0.54 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 3kni h GLU 31 CO -0.63 0.26 -0.51 0.00 -0.73 0.00 0.00 179.01 177.39 3kni h ALA 32 N 1.51 0.85 0.58 2.92 0.00 0.62 -2.19 119.26 123.56 3kni h ALA 32 Ca 0.38 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3kni h ALA 32 Cb 0.55 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3kni h ALA 32 CO -0.39 0.67 -0.50 0.00 0.00 0.00 0.00 179.25 179.04 3kni h ARG 33 N 0.31 -1.02 -0.56 0.00 3.08 0.48 0.28 114.38 116.95 3kni h ARG 33 Ca 0.01 0.07 0.11 0.00 0.07 0.00 0.00 59.98 60.24 3kni h ARG 33 Cb 1.01 0.23 -0.11 0.00 0.08 0.00 0.00 29.97 31.18 3kni h ARG 33 CO 0.09 -0.68 -0.25 -0.91 -1.07 0.00 0.00 179.97 177.15 3kni h ASN 34 N -1.06 -0.86 0.38 7.04 -0.26 -1.48 -0.86 115.58 118.49 3kni h ASN 34 Ca -0.07 0.20 -0.00 0.00 -0.56 0.00 0.00 56.30 55.86 3kni h ASN 34 Cb 0.90 0.47 -0.02 0.00 -1.06 0.00 0.00 38.32 38.61 3kni h ASN 34 CO -0.02 -0.26 -0.36 0.40 -1.06 0.00 0.00 177.43 176.14 3kni h ILE 35 N -0.11 0.27 -0.49 2.81 2.04 -1.00 -2.93 117.51 118.10 3kni h ILE 35 Ca 0.25 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.21 3kni h ILE 35 Cb 0.50 0.27 -0.10 0.00 -0.74 0.00 0.00 36.82 36.75 3kni h ILE 35 CO -0.63 0.00 -0.16 -0.07 0.00 0.00 0.00 178.15 177.29 3kni h LEU 36 N -0.76 -0.57 0.00 1.44 3.38 0.33 -2.18 115.31 116.95 3kni h LEU 36 Ca -0.03 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3kni h LEU 36 Cb 0.67 0.35 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3kni h LEU 36 CO -0.05 -0.20 0.00 -1.14 0.09 0.00 0.00 178.44 177.14 3kni n ARG 37 N -5.38 0.00 0.00 1.13 3.00 -0.40 -1.92 116.66 113.09 3kni n ARG 37 Ca 0.04 0.73 0.07 0.00 -0.00 0.00 0.00 57.85 58.69 3kni n ARG 37 Cb 0.28 -1.25 0.38 0.00 0.00 0.00 0.00 32.46 31.88 3kni n ARG 37 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3kni n TYR 38 N -1.96 0.00 -2.31 -0.14 4.01 -1.16 -4.74 117.16 110.85 3kni n TYR 38 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 3kni n TYR 38 Cb 0.00 -0.15 -0.03 0.00 -0.31 0.00 0.00 39.34 38.86 3kni n TYR 38 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3kni s THR 39 N -2.29 3.93 -1.23 -0.72 2.01 -0.81 -4.95 115.64 111.59 3kni s THR 39 Ca 0.17 1.28 -0.09 0.00 0.31 0.00 0.00 61.69 63.36 3kni s THR 39 Cb 0.09 -3.82 0.20 0.00 0.01 0.00 0.00 72.50 68.98 3kni s THR 39 CO 0.19 -0.01 1.73 -3.20 -0.69 0.00 0.00 174.62 172.63 3kni n ASN 40 N 5.41 5.37 -3.74 3.53 5.15 -1.26 -4.82 115.26 124.91 3kni n ASN 40 Ca 0.12 -3.15 -0.12 0.00 -0.60 0.00 0.00 54.58 50.83 3kni n ASN 40 Cb 0.45 -1.45 -0.11 0.00 -0.53 0.00 0.00 39.78 38.14 3kni n ASN 40 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3kni s LYS 41 N -0.14 0.39 0.57 1.20 -0.14 -1.26 -4.99 119.74 115.36 3kni s LYS 41 Ca 0.38 0.56 0.33 0.00 -1.36 0.00 0.00 55.97 55.88 3kni s LYS 41 Cb 0.07 0.12 1.45 0.00 -1.68 0.00 0.00 37.83 37.79 3kni s LYS 41 CO 0.02 -0.09 1.77 -0.09 -0.76 0.00 0.00 175.35 176.20 3kni h ARG 42 N 6.10 0.00 0.00 1.68 2.43 -2.00 0.13 114.38 122.72 3kni h ARG 42 Ca -0.30 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 3kni h ARG 42 Cb 1.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 3kni h ARG 42 CO 0.30 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 179.17 3kni n GLY 43 N -1.69 -2.84 0.00 2.80 0.00 -1.26 -3.03 105.19 99.17 3kni n GLY 43 Ca 0.20 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.53 3kni n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kni n ALA 44 N -2.32 0.00 -1.00 4.61 0.00 0.45 -1.41 120.51 120.83 3kni n ALA 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kni n ALA 44 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3kni n ALA 44 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3kni n TYR 45 N -2.58 0.00 -0.25 0.00 9.36 -1.17 -1.48 117.16 121.04 3kni n TYR 45 Ca 0.00 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.16 3kni n TYR 45 Cb 0.00 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 38.65 3kni n TYR 45 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 3kni n PHE 46 N -0.54 -0.26 -0.32 2.98 3.72 -0.50 -0.18 117.46 122.36 3kni n PHE 46 Ca 0.00 0.74 0.19 0.00 -0.05 0.00 0.00 57.45 58.32 3kni n PHE 46 Cb 0.00 -0.52 0.44 0.00 -0.94 0.00 0.00 39.48 38.46 3kni n PHE 46 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3kni h VAL 47 N 0.00 0.60 0.76 -4.37 2.07 -1.60 -1.75 116.25 111.96 3kni h VAL 47 Ca 0.09 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 3kni h VAL 47 Cb 0.24 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 3kni h VAL 47 CO -0.55 0.10 -0.41 0.00 0.02 0.00 0.00 177.57 176.72 3kni h ALA 48 N 1.64 -1.26 -0.69 1.67 0.00 0.57 -0.60 119.26 120.59 3kni h ALA 48 Ca 0.58 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 55.33 3kni h ALA 48 Cb 1.25 0.49 -0.10 0.00 0.00 0.00 0.00 17.79 19.42 3kni h ALA 48 CO -0.33 -1.20 -0.57 0.87 0.00 0.00 0.00 179.25 178.02 3kni h LYS 49 N -1.08 -0.20 -0.09 0.00 1.79 -1.01 0.38 116.57 116.37 3kni h LYS 49 Ca -0.10 0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.41 3kni h LYS 49 Cb 0.84 0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.54 3kni h LYS 49 CO 0.14 -0.13 0.09 -0.24 -1.08 0.00 0.00 179.45 178.22 3kni h VAL 50 N -0.21 0.64 0.24 0.50 3.04 -1.44 -1.01 116.25 118.01 3kni h VAL 50 Ca 0.12 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.80 3kni h VAL 50 Cb 0.51 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 30.73 3kni h VAL 50 CO -0.76 0.00 -0.12 0.25 -1.01 0.00 0.00 177.57 175.93 3kni h LEU 51 N 0.00 -0.28 -1.10 3.16 7.12 0.13 -2.93 115.31 121.42 3kni h LEU 51 Ca 0.04 -0.25 0.04 0.00 0.13 0.00 0.00 57.88 57.85 3kni h LEU 51 Cb 0.21 0.07 -0.06 0.00 -0.53 0.00 0.00 40.66 40.36 3kni h LEU 51 CO -0.00 0.16 0.61 -0.33 -0.13 0.00 0.00 178.44 178.75 3kni h GLU 52 N -0.79 1.11 0.00 1.25 3.07 -0.44 -1.07 114.58 117.71 3kni h GLU 52 Ca -0.03 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.36 58.72 3kni h GLU 52 Cb 0.51 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 3kni h GLU 52 CO 0.06 0.73 -0.18 1.03 -1.40 0.00 0.00 179.01 179.25 3kni h SER 53 N 1.14 0.00 -0.08 1.42 0.87 -1.24 -1.09 113.55 114.56 3kni h SER 53 Ca 0.38 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.92 3kni h SER 53 Cb 0.06 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.01 3kni h SER 53 CO -0.12 0.18 -0.02 0.00 -0.53 0.00 0.00 176.83 176.33 3kni h ALA 54 N 1.82 0.11 -0.40 6.23 0.00 -1.00 -2.49 119.26 123.53 3kni h ALA 54 Ca -0.00 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.77 3kni h ALA 54 Cb 0.45 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.12 3kni h ALA 54 CO 0.02 -0.16 -0.34 0.00 0.00 0.00 0.00 179.25 178.77 3kni h ALA 55 N 0.67 -0.22 -0.34 0.00 0.00 -1.03 0.38 119.26 118.73 3kni h ALA 55 Ca 0.02 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3kni h ALA 55 Cb 0.43 0.73 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 3kni h ALA 55 CO 0.01 -0.75 -0.39 0.00 0.00 0.00 0.00 179.25 178.12 3kni h ALA 56 N 0.71 -0.60 -0.80 0.00 0.00 -1.15 0.47 119.26 117.89 3kni h ALA 56 Ca 0.17 0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.24 3kni h ALA 56 Cb 0.55 1.03 -0.10 0.00 0.00 0.00 0.00 17.79 19.27 3kni h ALA 56 CO -0.54 -0.80 0.33 -0.91 0.00 0.00 0.00 179.25 177.33 3kni h ASN 57 N -0.24 0.31 -0.30 0.00 -0.26 -0.85 2.22 115.58 116.46 3kni h ASN 57 Ca 0.06 0.12 -0.01 0.00 -0.56 0.00 0.00 56.30 55.90 3kni h ASN 57 Cb 0.40 0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.73 3kni h ASN 57 CO -0.44 0.10 0.15 0.00 -1.06 0.00 0.00 177.43 176.18 3kni h ALA 58 N 1.58 1.62 0.03 -0.83 0.00 0.22 -0.80 119.26 121.09 3kni h ALA 58 Ca 0.45 -0.08 -0.38 0.00 0.00 0.00 0.00 54.91 54.89 3kni h ALA 58 Cb 0.71 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 3kni h ALA 58 CO -0.43 0.30 -2.22 0.28 0.00 0.00 0.00 179.25 177.18 3kni n VAL 59 N -4.41 1.58 -0.07 0.00 0.31 0.14 -2.28 118.33 113.60 3kni n VAL 59 Ca 0.02 -0.50 -0.12 0.00 -0.01 0.00 0.00 64.34 63.74 3kni n VAL 59 Cb 0.12 -1.66 -0.09 0.00 -0.91 0.00 0.00 33.84 31.30 3kni n VAL 59 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 3kni h ASN 60 N -0.28 0.00 0.88 4.52 -0.26 0.34 -3.32 115.58 117.46 3kni h ASN 60 Ca -0.54 -0.63 -0.23 0.00 -0.56 0.00 0.00 56.30 54.34 3kni h ASN 60 Cb 1.82 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 39.06 3kni h ASN 60 CO -0.12 0.96 -1.08 0.78 -1.06 0.00 0.00 177.43 176.90 3kni h ASN 61 N -1.00 0.14 -0.95 5.81 -0.26 -1.55 -3.39 115.58 114.38 3kni h ASN 61 Ca -0.06 -0.15 -0.42 0.00 -0.56 0.00 0.00 56.30 55.11 3kni h ASN 61 Cb 0.80 -0.05 -0.41 0.00 -1.06 0.00 0.00 38.32 37.60 3kni h ASN 61 CO -0.03 1.12 -0.99 1.41 -1.06 0.00 0.00 177.43 177.87 3kni n HIS 62 N -3.41 2.04 0.00 1.19 8.25 -0.35 -5.04 115.22 117.90 3kni n HIS 62 Ca -0.03 -2.62 0.00 0.00 -0.26 0.00 0.00 57.72 54.81 3kni n HIS 62 Cb 0.97 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.82 3kni n HIS 62 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3kni n ASP 63 N -0.41 0.00 0.00 0.41 5.75 -1.23 -4.79 116.55 116.28 3kni n ASP 63 Ca 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.01 3kni n ASP 63 Cb 0.80 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.89 3kni n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 3kni n MET 64 N 0.00 0.00 0.00 0.11 2.81 -0.97 -5.03 117.12 114.05 3kni n MET 64 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3kni n MET 64 Cb 0.00 -0.75 0.00 0.00 -0.71 0.00 0.00 33.22 31.76 3kni n MET 64 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 3kni n LEU 65 N -2.45 0.00 0.08 4.03 0.00 -1.26 -4.96 117.00 112.45 3kni n LEU 65 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 56.01 55.95 3kni n LEU 65 Cb 0.39 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.77 3kni n LEU 65 CO 0.00 0.00 0.51 -0.08 0.00 0.00 0.00 177.39 177.82 3kni h GLU 66 N 0.00 -0.32 0.00 1.96 4.81 -1.96 -3.17 114.58 115.90 3kni h GLU 66 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3kni h GLU 66 Cb 0.00 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.45 3kni h GLU 66 CO 0.00 -0.21 0.00 -0.25 -0.73 0.00 0.00 179.01 177.82 3kni n ASP 67 N -3.50 0.00 -0.97 1.04 8.00 -1.26 -1.77 116.55 118.09 3kni n ASP 67 Ca -0.04 -0.61 0.08 0.00 0.71 0.00 0.00 54.79 54.93 3kni n ASP 67 Cb 0.16 0.00 0.24 0.00 -0.02 0.00 0.00 41.12 41.50 3kni n ASP 67 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3kni n ARG 68 N -0.71 3.06 -3.68 -1.24 5.12 -1.20 -4.94 116.66 113.08 3kni n ARG 68 Ca 0.04 -2.46 -0.29 0.00 -1.93 0.00 0.00 57.85 53.21 3kni n ARG 68 Cb 0.02 -1.55 -0.04 0.00 -1.16 0.00 0.00 32.46 29.73 3kni n ARG 68 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3kni s LEU 69 N -1.55 4.24 0.09 0.55 1.43 -0.73 0.15 118.68 122.86 3kni s LEU 69 Ca 0.36 0.47 -0.26 0.00 -1.03 0.00 0.00 54.13 53.67 3kni s LEU 69 Cb 0.22 -3.22 0.08 0.00 0.03 0.00 0.00 46.19 43.30 3kni s LEU 69 CO 0.18 -0.01 0.88 -0.72 0.23 0.00 0.00 176.35 176.92 3kni s TYR 70 N -1.79 -0.26 -0.85 0.29 -0.85 -1.09 -2.59 117.35 110.20 3kni s TYR 70 Ca 0.39 0.03 -0.25 0.00 -0.52 0.00 0.00 57.07 56.73 3kni s TYR 70 Cb -0.11 0.59 0.02 0.00 0.38 0.00 0.00 41.96 42.84 3kni s TYR 70 CO 0.28 -0.73 1.48 0.08 -1.52 0.00 0.00 175.55 175.14 3kni s VAL 71 N -3.28 3.73 0.06 -3.49 1.01 -0.60 -2.53 120.40 115.28 3kni s VAL 71 Ca 0.08 -0.14 -0.12 0.00 0.00 0.00 0.00 61.98 61.80 3kni s VAL 71 Cb -0.01 -4.77 -0.30 0.00 0.00 0.00 0.00 36.38 31.30 3kni s VAL 71 CO -0.04 -1.69 1.10 0.50 0.00 0.00 0.00 175.10 174.98 3kni h LYS 72 N 10.63 0.53 -3.50 2.72 3.64 -1.42 0.16 116.57 129.33 3kni h LYS 72 Ca -0.06 -0.77 -0.15 0.00 -1.27 0.00 0.00 60.65 58.41 3kni h LYS 72 Cb 1.04 0.27 -0.21 0.00 -0.41 0.00 0.00 32.23 32.92 3kni h LYS 72 CO 1.32 1.35 -0.50 0.00 -2.27 0.00 0.00 179.45 179.36 3kni s ALA 73 N -2.86 -0.33 -0.30 5.00 0.00 -0.66 -4.71 121.76 117.90 3kni s ALA 73 Ca -0.08 -0.08 -0.10 0.00 0.00 0.00 0.00 51.96 51.70 3kni s ALA 73 Cb 0.06 0.07 0.17 0.00 0.00 0.00 0.00 23.12 23.42 3kni s ALA 73 CO 0.92 -0.19 0.85 0.00 0.00 0.00 0.00 175.76 177.34 3kni s ALA 74 N -1.23 -2.65 -0.02 0.00 0.00 -1.26 -0.50 121.76 116.08 3kni s ALA 74 Ca -0.13 1.91 -0.07 0.00 0.00 0.00 0.00 51.96 53.66 3kni s ALA 74 Cb -0.07 -2.14 0.01 0.00 0.00 0.00 0.00 23.12 20.92 3kni s ALA 74 CO 0.01 -1.16 0.16 1.52 0.00 0.00 0.00 175.76 176.29 3kni s TYR 75 N 2.75 -0.06 -0.14 0.00 1.13 -1.21 -4.93 117.35 114.90 3kni s TYR 75 Ca 0.03 0.12 0.00 0.00 -1.41 0.00 0.00 57.07 55.81 3kni s TYR 75 Cb -0.10 0.00 -0.01 0.00 -1.10 0.00 0.00 41.96 40.75 3kni s TYR 75 CO -0.17 -0.22 -0.14 0.54 -2.51 0.00 0.00 175.55 173.05 3kni s VAL 76 N -0.83 2.89 -0.08 -3.49 0.11 -1.26 -0.82 120.40 116.92 3kni s VAL 76 Ca -0.09 -0.71 0.02 0.00 -2.93 0.00 0.00 61.98 58.27 3kni s VAL 76 Cb -0.05 -2.21 -0.02 0.00 -1.53 0.00 0.00 36.38 32.57 3kni s VAL 76 CO 0.01 0.52 -0.14 -1.81 -3.33 0.00 0.00 175.10 170.35 3kni s ASP 77 N 0.49 3.99 0.17 3.54 1.01 0.45 -4.91 116.67 121.42 3kni s ASP 77 Ca -0.10 -0.25 -0.32 0.00 0.71 0.00 0.00 52.55 52.59 3kni s ASP 77 Cb -0.16 -1.13 -0.10 0.00 1.01 0.00 0.00 42.92 42.54 3kni s ASP 77 CO 0.04 0.28 1.62 -0.70 0.21 0.00 0.00 175.17 176.62 3kni s GLU 78 N -0.32 4.19 0.50 8.23 2.12 -1.26 0.28 118.70 132.44 3kni s GLU 78 Ca 0.03 2.43 0.06 0.00 0.36 0.00 0.00 54.97 57.84 3kni s GLU 78 Cb -0.13 -3.16 0.01 0.00 0.26 0.00 0.00 34.13 31.11 3kni s GLU 78 CO 0.03 -0.65 0.33 0.20 -0.54 0.00 0.00 175.26 174.62 3kni s GLY 79 N 1.24 2.37 -0.20 -1.50 0.00 -0.56 -4.86 107.32 103.80 3kni s GLY 79 Ca 0.72 -1.47 -0.42 0.00 0.00 0.00 0.00 44.72 43.54 3kni s GLY 79 CO 0.32 -1.91 1.35 -1.55 0.00 0.00 0.00 173.10 171.30 3kni n PRO 80 N -1.59 0.20 -1.40 2.90 -0.04 -1.26 -3.87 135.00 129.94 3kni n PRO 80 Ca -0.02 0.07 -0.30 0.00 -0.04 0.00 0.00 63.50 63.21 3kni n PRO 80 Cb 0.64 -1.60 0.09 0.00 -0.04 0.00 0.00 33.50 32.59 3kni n PRO 80 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kni s ALA 81 N 1.46 2.17 -0.60 0.55 0.00 -1.26 -4.22 121.76 119.86 3kni s ALA 81 Ca 0.96 0.01 0.05 0.00 0.00 0.00 0.00 51.96 52.99 3kni s ALA 81 Cb -1.31 -3.19 0.20 0.00 0.00 0.00 0.00 23.12 18.82 3kni s ALA 81 CO 0.66 -1.78 0.53 1.28 0.00 0.00 0.00 175.76 176.45 3kni n LEU 82 N -3.50 2.26 -4.58 0.00 4.77 0.03 -4.93 117.00 111.05 3kni n LEU 82 Ca 0.08 -5.06 -0.44 0.00 -0.03 0.00 0.00 56.01 50.56 3kni n LEU 82 Cb 0.55 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 41.27 3kni n LEU 82 CO 0.55 1.88 0.53 0.29 -1.33 0.00 0.00 177.39 179.31 3kni n LYS 83 N 1.81 1.27 -3.85 3.23 4.01 -1.26 -3.31 118.16 120.06 3kni n LYS 83 Ca 0.24 0.45 -0.11 0.00 -0.51 0.00 0.00 58.31 58.38 3kni n LYS 83 Cb 0.41 -1.81 -0.09 0.00 -0.51 0.00 0.00 35.03 33.02 3kni n LYS 83 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 3kni s ARG 84 N -1.57 0.59 0.81 1.97 1.81 0.20 -4.94 118.95 117.82 3kni s ARG 84 Ca 0.59 -0.48 -0.12 0.00 -1.72 0.00 0.00 55.73 54.01 3kni s ARG 84 Cb -0.70 0.24 0.08 0.00 -0.45 0.00 0.00 34.95 34.13 3kni s ARG 84 CO 0.60 -0.15 1.16 0.08 -0.68 0.00 0.00 175.30 176.30 3kni s VAL 85 N -1.86 2.29 -0.35 3.52 1.01 -1.26 0.15 120.40 123.90 3kni s VAL 85 Ca -0.11 0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.01 3kni s VAL 85 Cb -0.05 -3.04 0.19 0.00 0.00 0.00 0.00 36.38 33.49 3kni s VAL 85 CO -0.00 -0.12 0.67 -0.22 0.00 0.00 0.00 175.10 175.42 3kni s LEU 86 N -5.63 -1.43 0.30 3.92 2.96 1.00 -4.64 118.68 115.16 3kni s LEU 86 Ca 0.62 -0.28 -0.29 0.00 -0.22 0.00 0.00 54.13 53.96 3kni s LEU 86 Cb -0.12 1.85 -0.11 0.00 0.50 0.00 0.00 46.19 48.31 3kni s LEU 86 CO 0.50 -0.21 1.50 -2.16 -1.32 0.00 0.00 176.35 174.66 3kni s PRO 87 N 2.34 4.19 0.47 0.98 0.04 -1.26 -0.97 135.00 140.79 3kni s PRO 87 Ca 0.14 2.45 0.04 0.00 0.04 0.00 0.00 61.00 63.68 3kni s PRO 87 Cb -0.06 -3.05 -0.04 0.00 0.04 0.00 0.00 34.50 31.40 3kni s PRO 87 CO -0.17 -0.50 0.06 1.03 0.04 0.00 0.00 177.00 177.47 3kni s ARG 88 N -0.87 2.13 0.98 4.56 1.81 -1.26 -4.78 118.95 121.51 3kni s ARG 88 Ca 0.59 -2.20 -0.11 0.00 -1.72 0.00 0.00 55.73 52.28 3kni s ARG 88 Cb -0.45 -1.68 0.16 0.00 -0.45 0.00 0.00 34.95 32.53 3kni s ARG 88 CO 0.50 -0.25 0.97 0.00 -0.68 0.00 0.00 175.30 175.84 3kni n ALA 89 N -1.21 -1.59 -4.17 2.13 0.00 -1.26 -2.80 120.51 111.60 3kni n ALA 89 Ca -0.11 -0.71 -0.39 0.00 0.00 0.00 0.00 53.44 52.24 3kni n ALA 89 Cb 0.66 -2.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.00 3kni n ALA 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kni n ARG 90 N -3.93 -0.71 -4.09 0.00 1.74 -1.26 -2.11 116.66 106.30 3kni n ARG 90 Ca 0.09 0.10 -0.27 0.00 -0.77 0.00 0.00 57.85 57.00 3kni n ARG 90 Cb 0.53 -3.11 -0.09 0.00 -1.02 0.00 0.00 32.46 28.77 3kni n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kni n GLY 91 N -2.30 -0.11 0.00 -0.13 0.00 -1.17 -4.90 105.19 96.58 3kni n GLY 91 Ca -0.22 0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3kni n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kni n ARG 92 N -4.13 0.00 -0.97 1.61 1.74 -0.90 -4.93 116.66 109.08 3kni n ARG 92 Ca -0.29 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.79 3kni n ARG 92 Cb 0.61 -0.57 0.00 0.00 -1.02 0.00 0.00 32.46 31.48 3kni n ARG 92 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kni n ALA 93 N -0.90 -2.07 -2.46 7.54 0.00 -1.26 -4.80 120.51 116.57 3kni n ALA 93 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 3kni n ALA 93 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 3kni n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kni s ASP 94 N 0.00 3.76 -0.02 0.00 -0.00 -0.15 -4.89 116.67 115.37 3kni s ASP 94 Ca 0.00 -0.51 -0.20 0.00 -0.00 0.00 0.00 52.55 51.84 3kni s ASP 94 Cb 0.00 -0.54 -0.05 0.00 -0.00 0.00 0.00 42.92 42.33 3kni s ASP 94 CO 0.00 0.22 0.59 0.27 -0.00 0.00 0.00 175.17 176.25 3kni s ILE 95 N -1.01 4.96 -0.10 0.77 -4.36 -1.26 -0.00 121.20 120.20 3kni s ILE 95 Ca 0.16 1.22 0.01 0.00 -0.26 0.00 0.00 60.65 61.78 3kni s ILE 95 Cb -0.10 -3.92 -0.02 0.00 1.25 0.00 0.00 42.46 39.66 3kni s ILE 95 CO 0.07 0.39 -0.14 -0.51 0.24 0.00 0.00 174.94 174.99 3kni s ILE 96 N -0.01 3.03 -0.17 8.37 1.10 0.40 -4.89 121.20 129.03 3kni s ILE 96 Ca 0.31 -0.69 -0.12 0.00 -0.51 0.00 0.00 60.65 59.63 3kni s ILE 96 Cb -0.18 -2.24 -0.05 0.00 0.15 0.00 0.00 42.46 40.14 3kni s ILE 96 CO 0.16 0.55 0.24 -0.54 -2.11 0.00 0.00 174.94 173.24 3kni s LYS 97 N 0.01 4.20 -0.46 3.50 1.02 -1.26 -0.63 119.74 126.12 3kni s LYS 97 Ca -0.04 -0.01 -0.14 0.00 0.02 0.00 0.00 55.97 55.80 3kni s LYS 97 Cb -0.14 -3.41 0.07 0.00 -0.52 0.00 0.00 37.83 33.83 3kni s LYS 97 CO 0.04 0.29 0.36 0.15 -0.92 0.00 0.00 175.35 175.27 3kni s LYS 98 N 0.35 2.89 0.67 1.68 -0.14 -1.21 -4.88 119.74 119.10 3kni s LYS 98 Ca 0.14 -1.36 -0.11 0.00 -1.36 0.00 0.00 55.97 53.28 3kni s LYS 98 Cb -0.12 -4.04 -0.01 0.00 -1.68 0.00 0.00 37.83 31.98 3kni s LYS 98 CO 0.02 -1.00 1.06 1.03 -0.76 0.00 0.00 175.35 175.70 3kni s ARG 99 N 1.59 3.18 0.24 1.68 0.52 -1.26 -0.79 118.95 124.11 3kni s ARG 99 Ca 0.04 0.73 0.09 0.00 -0.52 0.00 0.00 55.73 56.06 3kni s ARG 99 Cb -0.24 -2.03 -0.05 0.00 0.52 0.00 0.00 34.95 33.15 3kni s ARG 99 CO 0.06 -0.87 -0.13 -0.08 0.02 0.00 0.00 175.30 174.29 3kni s THR 100 N -3.18 1.90 0.11 0.02 -1.32 -1.25 -2.42 115.64 109.49 3kni s THR 100 Ca 0.57 -2.24 0.05 0.00 -1.21 0.00 0.00 61.69 58.86 3kni s THR 100 Cb -0.12 -2.22 -0.04 0.00 -1.51 0.00 0.00 72.50 68.61 3kni s THR 100 CO 0.54 -0.47 -0.12 -0.44 -2.21 0.00 0.00 174.62 171.92 3kni s SER 101 N -3.40 1.73 -0.21 8.08 0.01 -1.19 -1.50 113.70 117.22 3kni s SER 101 Ca 0.26 -0.80 -0.01 0.00 1.31 0.00 0.00 55.95 56.71 3kni s SER 101 Cb -0.01 -0.03 0.06 0.00 0.21 0.00 0.00 66.02 66.25 3kni s SER 101 CO 0.10 -0.19 -0.01 -1.00 0.41 0.00 0.00 173.24 172.55 3kni s HIS 102 N -2.23 1.66 -0.24 2.43 3.76 0.14 0.15 115.29 120.97 3kni s HIS 102 Ca 0.07 -1.24 -0.06 0.00 -0.15 0.00 0.00 55.06 53.68 3kni s HIS 102 Cb -0.04 -1.28 -0.02 0.00 1.11 0.00 0.00 32.58 32.35 3kni s HIS 102 CO 0.02 -0.67 0.02 0.42 -0.85 0.00 0.00 174.74 173.67 3kni s ILE 103 N 1.64 3.88 0.43 0.60 1.01 -0.53 0.17 121.20 128.40 3kni s ILE 103 Ca -0.03 -0.32 0.05 0.00 0.00 0.00 0.00 60.65 60.36 3kni s ILE 103 Cb -0.18 -2.79 0.01 0.00 0.01 0.00 0.00 42.46 39.51 3kni s ILE 103 CO -0.07 0.38 0.60 -0.89 0.00 0.00 0.00 174.94 174.96 3kni s THR 104 N 1.55 3.35 -0.30 2.92 2.01 0.00 -0.66 115.64 124.51 3kni s THR 104 Ca 0.06 -0.86 -0.12 0.00 0.31 0.00 0.00 61.69 61.08 3kni s THR 104 Cb -0.15 -3.18 0.17 0.00 0.01 0.00 0.00 72.50 69.36 3kni s THR 104 CO 0.00 -0.09 0.96 -0.69 -0.69 0.00 0.00 174.62 174.12 3kni s VAL 105 N -2.42 -0.50 -0.09 3.82 1.01 -1.26 -3.35 120.40 117.62 3kni s VAL 105 Ca 0.52 0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.54 3kni s VAL 105 Cb -0.10 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 3kni s VAL 105 CO 0.34 0.00 -0.20 0.27 0.00 0.00 0.00 175.10 175.51 3kni s ILE 106 N 2.74 2.43 0.16 2.22 -4.36 0.34 -3.39 121.20 121.35 3kni s ILE 106 Ca 0.02 -0.91 0.06 0.00 -0.26 0.00 0.00 60.65 59.56 3kni s ILE 106 Cb -0.09 -1.94 -0.04 0.00 1.25 0.00 0.00 42.46 41.63 3kni s ILE 106 CO -0.15 0.56 0.08 -0.76 0.24 0.00 0.00 174.94 174.91 3kni s LEU 107 N 0.04 3.63 0.28 0.37 1.02 -0.96 -1.10 118.68 121.95 3kni s LEU 107 Ca -0.08 -0.22 0.02 0.00 0.02 0.00 0.00 54.13 53.87 3kni s LEU 107 Cb -0.15 -2.26 -0.04 0.00 0.02 0.00 0.00 46.19 43.76 3kni s LEU 107 CO 0.05 0.08 0.13 -0.83 0.02 0.00 0.00 176.35 175.81 3kni s GLY 108 N -2.99 1.88 0.63 -3.19 0.00 -1.05 -1.44 107.32 101.15 3kni s GLY 108 Ca 0.30 -1.79 -0.12 0.00 0.00 0.00 0.00 44.72 43.10 3kni s GLY 108 CO 0.22 -1.57 1.04 -0.54 0.00 0.00 0.00 173.10 172.24 3kni s GLU 109 N -3.93 3.37 0.00 2.90 0.41 -1.24 -2.67 118.70 117.54 3kni s GLU 109 Ca 0.37 0.91 0.00 0.00 -0.41 0.00 0.00 54.97 55.84 3kni s GLU 109 Cb 0.06 -2.05 0.00 0.00 -1.78 0.00 0.00 34.13 30.36 3kni s GLU 109 CO 0.15 -0.75 0.09 1.17 -0.49 0.00 0.00 175.26 175.43 3kni n LYS 110 N -2.63 0.00 0.00 1.61 3.00 0.39 -4.89 118.16 115.63 3kni n LYS 110 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 3kni n LYS 110 Cb 0.54 -0.52 0.00 0.00 0.00 0.00 0.00 35.03 35.04 3kni n LYS 110 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 3kni n HIS 111 N -0.11 0.00 -2.68 5.64 1.44 -1.26 -5.11 115.22 113.15 3kni n HIS 111 Ca 0.00 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.66 3kni n HIS 111 Cb 0.00 0.00 0.09 0.00 0.12 0.00 0.00 29.99 30.20 3kni n HIS 111 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3kni n GLY 112 N 0.00 -1.29 0.00 -1.39 0.00 -1.26 -5.22 105.19 96.03 3kni n GLY 112 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.81 3kni n GLY 112 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90