#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kno s LYS 2 N 0.00 3.98 -0.05 2.12 -0.14 -1.26 -3.59 119.74 120.81 3kno s LYS 2 Ca 0.00 2.46 -0.08 0.00 -1.36 0.00 0.00 55.97 57.00 3kno s LYS 2 Cb 0.00 -2.86 0.01 0.00 -1.68 0.00 0.00 37.83 33.30 3kno s LYS 2 CO 0.00 -0.59 0.19 0.14 -0.76 0.00 0.00 175.35 174.33 3kno s VAL 3 N -1.16 0.03 0.20 3.17 -7.23 -0.79 0.56 120.40 115.18 3kno s VAL 3 Ca 0.55 -0.23 -0.19 0.00 -1.81 0.00 0.00 61.98 60.30 3kno s VAL 3 Cb -0.44 -0.35 -0.08 0.00 0.56 0.00 0.00 36.38 36.07 3kno s VAL 3 CO 0.59 -0.13 0.69 -0.63 -0.31 0.00 0.00 175.10 175.32 3kno s ILE 4 N -0.42 4.61 -0.17 -0.62 1.01 -0.69 -3.55 121.20 121.38 3kno s ILE 4 Ca -0.05 1.25 -0.08 0.00 0.00 0.00 0.00 60.65 61.76 3kno s ILE 4 Cb -0.03 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 3kno s ILE 4 CO 0.01 0.26 0.11 -0.76 0.00 0.00 0.00 174.94 174.56 3kno s LEU 5 N -1.85 4.16 -0.11 2.97 1.02 -0.87 -2.21 118.68 121.78 3kno s LEU 5 Ca 0.41 0.27 -0.07 0.00 0.02 0.00 0.00 54.13 54.75 3kno s LEU 5 Cb -0.17 -2.05 -0.02 0.00 0.02 0.00 0.00 46.19 43.97 3kno s LEU 5 CO 0.21 0.26 -0.14 0.18 0.02 0.00 0.00 176.35 176.87 3kno n LEU 6 N 2.98 1.42 -4.75 1.79 4.77 -0.88 -0.01 117.00 122.32 3kno n LEU 6 Ca -0.17 0.54 -0.38 0.00 -0.03 0.00 0.00 56.01 55.97 3kno n LEU 6 Cb 0.53 -0.79 -0.06 0.00 -2.33 0.00 0.00 43.42 40.77 3kno n LEU 6 CO 0.34 -0.48 0.16 -0.70 -1.33 0.00 0.00 177.39 175.39 3kno s GLU 7 N -1.99 4.26 0.27 3.23 2.56 -1.25 -4.44 118.70 121.34 3kno s GLU 7 Ca -0.12 0.45 -0.29 0.00 0.00 0.00 0.00 54.97 55.01 3kno s GLU 7 Cb 0.02 -3.39 -0.10 0.00 2.00 0.00 0.00 34.13 32.66 3kno s GLU 7 CO 0.18 0.28 1.37 -1.25 -0.56 0.00 0.00 175.26 175.27 3kno s PRO 8 N 0.23 4.32 -0.08 4.30 0.04 -1.26 -4.68 135.00 137.86 3kno s PRO 8 Ca 0.26 2.24 0.03 0.00 0.04 0.00 0.00 61.00 63.56 3kno s PRO 8 Cb -0.16 -3.10 0.01 0.00 0.04 0.00 0.00 34.50 31.29 3kno s PRO 8 CO 0.11 -0.31 -0.17 -0.51 0.04 0.00 0.00 177.00 176.16 3kno s LEU 9 N -0.90 1.84 0.90 -3.56 1.43 -1.26 -4.72 118.68 112.40 3kno s LEU 9 Ca 0.55 -0.42 -0.10 0.00 -1.03 0.00 0.00 54.13 53.12 3kno s LEU 9 Cb -0.40 -1.09 0.14 0.00 0.03 0.00 0.00 46.19 44.86 3kno s LEU 9 CO 0.47 0.08 1.12 -0.70 0.23 0.00 0.00 176.35 177.55 3kno s GLU 10 N 0.57 1.13 0.00 1.70 -6.30 -1.26 -0.82 118.70 113.72 3kno s GLU 10 Ca -0.15 1.38 0.00 0.00 -2.50 0.00 0.00 54.97 53.70 3kno s GLU 10 Cb -0.17 -1.75 0.00 0.00 0.00 0.00 0.00 34.13 32.21 3kno s GLU 10 CO 0.05 -2.50 0.00 -1.71 0.02 0.00 0.00 175.26 171.12 3kno n ASN 11 N -4.13 0.00 -3.15 -1.70 5.15 -1.26 -4.66 115.26 105.51 3kno n ASN 11 Ca 0.10 0.00 0.05 0.00 -0.60 0.00 0.00 54.58 54.14 3kno n ASN 11 Cb 0.53 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.76 3kno n ASN 11 CO 0.00 0.00 0.00 -1.48 1.40 0.00 0.00 177.26 177.18 3kno s LEU 12 N 0.00 -0.47 0.00 1.20 2.34 -1.00 -5.18 118.68 115.56 3kno s LEU 12 Ca 0.00 0.23 0.00 0.00 0.06 0.00 0.00 54.13 54.42 3kno s LEU 12 Cb 0.00 1.37 0.00 0.00 -0.56 0.00 0.00 46.19 47.00 3kno s LEU 12 CO 0.00 -0.09 0.00 0.61 -1.06 0.00 0.00 176.35 175.81 3kno n GLY 13 N 5.40 3.97 0.71 -3.48 0.00 0.00 -4.17 105.19 107.62 3kno n GLY 13 Ca -0.03 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.38 3kno n GLY 13 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kno n ASP 14 N 0.00 -1.79 -4.37 1.61 8.00 -1.26 -4.65 116.55 114.08 3kno n ASP 14 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 3kno n ASP 14 Cb 0.00 -0.89 0.00 0.00 -0.02 0.00 0.00 41.12 40.21 3kno n ASP 14 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3kno n VAL 15 N 0.32 1.21 0.00 2.53 0.24 -1.26 -1.68 118.33 119.68 3kno n VAL 15 Ca 0.00 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 3kno n VAL 15 Cb 0.00 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.12 3kno n VAL 15 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kno n GLY 16 N 2.08 1.42 3.71 7.63 0.00 0.98 -4.92 105.19 116.09 3kno n GLY 16 Ca 0.11 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 3kno n GLY 16 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3kno n GLN 17 N 0.00 1.15 -3.14 1.61 7.27 -0.68 -4.50 117.38 119.10 3kno n GLN 17 Ca 0.00 0.45 -0.26 0.00 0.07 0.00 0.00 57.00 57.26 3kno n GLN 17 Cb 0.00 -2.48 -0.05 0.00 2.41 0.00 0.00 30.24 30.12 3kno n GLN 17 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 3kno n VAL 18 N -1.77 2.20 -1.74 1.69 0.31 -1.26 -2.05 118.33 115.71 3kno n VAL 18 Ca 0.15 -5.24 -0.23 0.00 -0.01 0.00 0.00 64.34 59.01 3kno n VAL 18 Cb 0.47 -1.52 0.16 0.00 -0.91 0.00 0.00 33.84 32.05 3kno n VAL 18 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 3kno n VAL 19 N 0.27 0.00 -3.90 2.52 3.14 -1.23 -4.47 118.33 114.66 3kno n VAL 19 Ca 0.29 -0.78 -0.09 0.00 -2.96 0.00 0.00 64.34 60.81 3kno n VAL 19 Cb 0.44 -1.60 -0.08 0.00 -1.06 0.00 0.00 33.84 31.54 3kno n VAL 19 CO 0.00 0.00 0.00 1.51 -6.46 0.00 0.00 176.83 171.88 3kno s ASP 20 N -4.82 0.17 0.24 6.55 3.84 -1.26 -1.89 116.67 119.51 3kno s ASP 20 Ca 0.59 -0.66 0.01 0.00 -0.00 0.00 0.00 52.55 52.49 3kno s ASP 20 Cb -0.02 0.30 -0.03 0.00 -1.38 0.00 0.00 42.92 41.79 3kno s ASP 20 CO 0.41 -0.67 0.20 0.68 -0.00 0.00 0.00 175.17 175.79 3kno s VAL 21 N -3.62 0.00 0.46 2.11 -7.23 -1.24 -4.90 120.40 105.98 3kno s VAL 21 Ca 0.03 -1.96 -0.20 0.00 -1.81 0.00 0.00 61.98 58.05 3kno s VAL 21 Cb 0.04 -2.49 -0.15 0.00 0.56 0.00 0.00 36.38 34.34 3kno s VAL 21 CO -0.10 0.00 0.07 0.29 -0.31 0.00 0.00 175.10 175.06 3kno n LYS 22 N -0.39 0.09 -0.08 4.82 4.01 -1.26 -3.32 118.16 122.03 3kno n LYS 22 Ca 0.03 0.03 -0.08 0.00 -0.51 0.00 0.00 58.31 57.78 3kno n LYS 22 Cb 0.65 -1.10 -0.01 0.00 -0.51 0.00 0.00 35.03 34.06 3kno n LYS 22 CO 0.00 0.00 0.00 -1.35 -1.11 0.00 0.00 177.40 174.94 3kno h PRO 23 N 0.22 0.31 -0.74 1.97 0.11 -2.00 -2.86 132.00 129.01 3kno h PRO 23 Ca -0.40 -0.02 0.15 0.00 0.11 0.00 0.00 66.00 65.85 3kno h PRO 23 Cb 1.44 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 32.43 3kno h PRO 23 CO 0.45 0.20 0.50 0.78 -0.21 0.00 0.00 178.00 179.72 3kno h GLY 24 N 0.32 0.63 0.96 -0.55 0.00 -1.98 -1.72 103.07 100.72 3kno h GLY 24 Ca 0.12 -0.16 -0.12 0.00 0.00 0.00 0.00 47.33 47.17 3kno h GLY 24 CO -0.07 0.05 -0.28 -1.82 0.00 0.00 0.00 176.54 174.41 3kno h TYR 25 N 0.37 0.82 0.60 5.60 -0.00 -1.84 -2.60 116.97 119.90 3kno h TYR 25 Ca 0.36 -0.25 -0.03 0.00 -0.00 0.00 0.00 58.73 58.82 3kno h TYR 25 Cb 0.89 -0.17 0.01 0.00 -0.00 0.00 0.00 36.73 37.45 3kno h TYR 25 CO -0.00 0.99 -0.29 0.00 -0.00 0.00 0.00 178.16 178.86 3kno h ALA 26 N 0.70 -0.80 0.00 1.82 0.00 -1.37 -2.40 119.26 117.20 3kno h ALA 26 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3kno h ALA 26 Cb 0.85 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3kno h ALA 26 CO 0.07 -0.75 0.00 0.54 0.00 0.00 0.00 179.25 179.11 3kno n ARG 27 N -5.31 0.15 0.00 0.00 1.74 -0.71 -0.97 116.66 111.56 3kno n ARG 27 Ca -0.10 0.55 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 3kno n ARG 27 Cb 0.32 -1.89 0.00 0.00 -1.02 0.00 0.00 32.46 29.87 3kno n ARG 27 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3kno n ASN 28 N -2.19 1.80 0.00 0.55 3.02 -0.98 -4.63 115.26 112.83 3kno n ASN 28 Ca -0.00 -1.83 0.00 0.00 -0.03 0.00 0.00 54.58 52.72 3kno n ASN 28 Cb 0.10 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 3kno n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kno n TYR 29 N -0.41 0.00 0.28 3.10 9.36 -0.93 -4.85 117.16 123.71 3kno n TYR 29 Ca 0.00 0.00 0.06 0.00 3.32 0.00 0.00 57.90 61.28 3kno n TYR 29 Cb 0.22 0.00 0.35 0.00 -0.63 0.00 0.00 39.34 39.28 3kno n TYR 29 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 3kno h LEU 30 N 0.00 0.00 0.00 2.98 3.38 -1.49 0.12 115.31 120.30 3kno h LEU 30 Ca 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 3kno h LEU 30 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3kno h LEU 30 CO 0.00 0.00 -1.61 0.18 0.09 0.00 0.00 178.44 177.10 3kno n LEU 31 N -2.47 1.92 0.24 1.67 4.32 -0.14 0.35 117.00 122.90 3kno n LEU 31 Ca -0.01 0.38 0.07 0.00 -0.02 0.00 0.00 56.01 56.43 3kno n LEU 31 Cb 0.64 -0.81 0.56 0.00 -1.62 0.00 0.00 43.42 42.19 3kno n LEU 31 CO 0.06 0.12 0.98 -0.65 -1.22 0.00 0.00 177.39 176.68 3kno h PRO 32 N -1.00 0.01 -0.49 3.23 0.11 -1.68 0.50 132.00 132.68 3kno h PRO 32 Ca -0.33 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3kno h PRO 32 Cb 1.24 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3kno h PRO 32 CO -0.20 0.10 0.00 0.54 -0.21 0.00 0.00 178.00 178.23 3kno n ARG 33 N -4.43 2.11 -4.36 1.05 1.74 0.39 -4.92 116.66 108.24 3kno n ARG 33 Ca -0.03 -1.30 -0.36 0.00 -0.77 0.00 0.00 57.85 55.39 3kno n ARG 33 Cb 0.17 -1.45 -0.07 0.00 -1.02 0.00 0.00 32.46 30.09 3kno n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kno n GLY 34 N 0.81 -0.31 0.83 -0.13 0.00 0.17 -4.81 105.19 101.76 3kno n GLY 34 Ca 0.12 0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.39 3kno n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kno n LEU 35 N -4.31 2.60 0.00 0.99 4.77 0.16 -4.70 117.00 116.50 3kno n LEU 35 Ca -0.06 -0.88 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 3kno n LEU 35 Cb 0.56 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 3kno n LEU 35 CO 0.89 0.44 0.00 0.00 -1.33 0.00 0.00 177.39 177.39 3kno n ALA 36 N 1.03 0.00 -3.34 -1.18 0.00 -0.07 -2.07 120.51 114.88 3kno n ALA 36 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.45 3kno n ALA 36 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.92 3kno n ALA 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kno s VAL 37 N -2.12 0.03 0.13 0.00 1.01 -0.94 -4.64 120.40 113.87 3kno s VAL 37 Ca 0.00 -0.25 -0.34 0.00 0.00 0.00 0.00 61.98 61.39 3kno s VAL 37 Cb 0.00 -0.89 -0.13 0.00 0.00 0.00 0.00 36.38 35.36 3kno s VAL 37 CO 0.00 -0.14 1.63 0.18 0.00 0.00 0.00 175.10 176.77 3kno n LEU 38 N 0.81 3.22 -2.18 3.92 4.32 -1.26 -1.70 117.00 124.12 3kno n LEU 38 Ca -0.19 1.06 -0.05 0.00 -0.02 0.00 0.00 56.01 56.82 3kno n LEU 38 Cb 0.58 -1.43 -0.06 0.00 -1.62 0.00 0.00 43.42 40.88 3kno n LEU 38 CO 0.22 -0.22 0.92 0.00 -1.22 0.00 0.00 177.39 177.08 3kno n ALA 39 N 3.92 3.32 -2.35 -1.18 0.00 0.19 -4.72 120.51 119.69 3kno n ALA 39 Ca 0.18 -0.69 -0.42 0.00 0.00 0.00 0.00 53.44 52.50 3kno n ALA 39 Cb 0.29 -2.15 -0.03 0.00 0.00 0.00 0.00 19.45 17.56 3kno n ALA 39 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3kno s THR 40 N 1.91 4.00 0.27 0.00 -4.23 -1.26 -4.71 115.64 111.63 3kno s THR 40 Ca 0.25 1.36 0.12 0.00 -1.18 0.00 0.00 61.69 62.23 3kno s THR 40 Cb 0.12 -3.87 0.29 0.00 1.34 0.00 0.00 72.50 70.38 3kno s THR 40 CO 0.00 -0.00 1.24 -0.62 -0.54 0.00 0.00 174.62 174.69 3kno n GLU 41 N 5.28 -0.05 -0.14 3.99 1.02 -1.26 0.62 120.64 130.09 3kno n GLU 41 Ca 0.12 1.11 -0.09 0.00 -0.02 0.00 0.00 57.16 58.28 3kno n GLU 41 Cb 0.45 -1.92 -0.07 0.00 -0.02 0.00 0.00 31.44 29.88 3kno n GLU 41 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3kno h SER 42 N 0.00 -1.33 0.85 1.62 0.87 -1.95 0.73 113.55 114.34 3kno h SER 42 Ca 0.60 0.18 -0.15 0.00 -1.23 0.00 0.00 61.79 61.19 3kno h SER 42 Cb 1.50 0.56 -0.02 0.00 -0.44 0.00 0.00 62.40 64.00 3kno h SER 42 CO -0.65 -0.25 -0.72 0.78 -0.53 0.00 0.00 176.83 175.45 3kno h ASN 43 N -0.22 0.00 -0.62 6.23 2.35 -0.28 -2.66 115.58 120.37 3kno h ASN 43 Ca 0.06 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.89 3kno h ASN 43 Cb 0.38 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.69 3kno h ASN 43 CO -0.46 0.72 0.30 0.25 -1.65 0.00 0.00 177.43 176.59 3kno h LEU 44 N 0.00 0.39 0.03 1.61 5.85 0.12 0.28 115.31 123.60 3kno h LEU 44 Ca -0.01 0.05 -0.23 0.00 0.84 0.00 0.00 57.88 58.53 3kno h LEU 44 Cb 1.34 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.33 3kno h LEU 44 CO 0.09 0.25 -1.09 0.07 -0.34 0.00 0.00 178.44 177.42 3kno h LYS 45 N 0.54 0.07 -0.65 1.25 2.10 -0.93 -3.02 116.57 115.93 3kno h LYS 45 Ca 0.29 -0.12 0.11 0.00 -2.00 0.00 0.00 60.65 58.94 3kno h LYS 45 Cb 0.27 0.04 -0.04 0.00 -0.90 0.00 0.00 32.23 31.60 3kno h LYS 45 CO -0.23 1.03 0.43 0.00 -2.00 0.00 0.00 179.45 178.69 3kno h ALA 46 N 0.89 2.01 -0.42 0.07 0.00 -0.92 0.71 119.26 121.61 3kno h ALA 46 Ca -0.05 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3kno h ALA 46 Cb 1.83 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.52 3kno h ALA 46 CO 0.15 -0.16 -0.17 1.25 0.00 0.00 0.00 179.25 180.31 3kno h LEU 47 N 0.44 0.80 -0.71 0.00 6.46 -0.87 -2.55 115.31 118.88 3kno h LEU 47 Ca 0.30 -0.27 0.15 0.00 -0.12 0.00 0.00 57.88 57.95 3kno h LEU 47 Cb 0.60 -0.22 -0.11 0.00 -0.73 0.00 0.00 40.66 40.20 3kno h LEU 47 CO -0.09 0.97 0.14 -0.33 -0.62 0.00 0.00 178.44 178.51 3kno h GLU 48 N 0.70 0.23 0.15 1.25 4.39 0.52 0.18 114.58 122.00 3kno h GLU 48 Ca 0.11 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.81 3kno h GLU 48 Cb 0.68 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.23 3kno h GLU 48 CO 0.05 0.15 -0.40 0.00 -1.16 0.00 0.00 179.01 177.66 3kno h ALA 49 N 1.60 -0.72 -0.87 3.43 0.00 -1.02 0.11 119.26 121.79 3kno h ALA 49 Ca 0.39 -0.08 0.25 0.00 0.00 0.00 0.00 54.91 55.48 3kno h ALA 49 Cb 0.66 0.65 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 3kno h ALA 49 CO -0.51 -0.97 0.63 0.00 0.00 0.00 0.00 179.25 178.40 3kno h ARG 50 N -0.65 0.00 0.00 0.00 3.08 -0.76 -2.14 114.38 113.91 3kno h ARG 50 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3kno h ARG 50 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 3kno h ARG 50 CO -0.21 0.00 0.00 -0.89 -1.07 0.00 0.00 179.97 177.80 3kno n ILE 51 N -4.27 0.00 0.25 2.04 2.08 0.38 -4.23 119.36 115.61 3kno n ILE 51 Ca 0.18 0.00 0.09 0.00 0.56 0.00 0.00 62.75 63.58 3kno n ILE 51 Cb 0.94 -0.00 0.46 0.00 -0.75 0.00 0.00 39.64 40.28 3kno n ILE 51 CO 0.00 0.00 0.00 0.08 0.56 0.00 0.00 176.55 177.19 3kno h ARG 52 N 0.00 0.00 -0.49 0.38 0.11 -1.30 0.54 114.38 113.62 3kno h ARG 52 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3kno h ARG 52 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 3kno h ARG 52 CO 0.00 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.07 3kno n ALA 53 N -1.65 2.64 -1.87 0.08 0.00 -0.81 -2.79 120.51 116.10 3kno n ALA 53 Ca -0.01 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.00 3kno n ALA 53 Cb 0.45 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.90 3kno n ALA 53 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3kno n GLN 54 N 0.13 0.00 -0.06 0.00 7.27 0.19 -4.51 117.38 120.39 3kno n GLN 54 Ca 0.07 -0.55 -0.10 0.00 0.07 0.00 0.00 57.00 56.49 3kno n GLN 54 Cb 0.31 -0.31 -0.05 0.00 2.41 0.00 0.00 30.24 32.61 3kno n GLN 54 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3kno n ALA 55 N 0.00 1.99 0.57 1.69 0.00 -1.12 -2.92 120.51 120.72 3kno n ALA 55 Ca 0.00 -0.47 0.12 0.00 0.00 0.00 0.00 53.44 53.09 3kno n ALA 55 Cb 0.60 0.29 0.24 0.00 0.00 0.00 0.00 19.45 20.58 3kno n ALA 55 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3kno h LYS 56 N -0.21 0.00 0.10 0.00 2.10 -1.85 -2.43 116.57 114.28 3kno h LYS 56 Ca -0.27 0.00 -0.36 0.00 -2.00 0.00 0.00 60.65 58.02 3kno h LYS 56 Cb 1.33 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.63 3kno h LYS 56 CO -0.11 0.00 -1.99 0.54 -2.00 0.00 0.00 179.45 175.89 3kno n ARG 57 N -2.21 0.73 -0.20 0.07 5.12 -1.26 -2.33 116.66 116.58 3kno n ARG 57 Ca 0.04 0.26 -0.08 0.00 -1.93 0.00 0.00 57.85 56.14 3kno n ARG 57 Cb 0.44 -1.71 0.02 0.00 -1.16 0.00 0.00 32.46 30.06 3kno n ARG 57 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3kno h LEU 58 N 0.06 0.83 -0.26 0.55 5.85 -1.57 0.73 115.31 121.50 3kno h LEU 58 Ca -0.41 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.10 3kno h LEU 58 Cb 2.03 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.84 3kno h LEU 58 CO 0.08 0.82 0.00 0.00 -0.34 0.00 0.00 178.44 179.00 3kno n ALA 59 N -2.39 2.55 0.05 1.25 0.00 -0.92 -3.16 120.51 117.90 3kno n ALA 59 Ca 0.03 -0.18 0.01 0.00 0.00 0.00 0.00 53.44 53.30 3kno n ALA 59 Cb 0.20 -1.15 -0.06 0.00 0.00 0.00 0.00 19.45 18.45 3kno n ALA 59 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3kno h GLU 60 N 0.48 0.00 0.00 0.00 4.57 -0.44 -2.97 114.58 116.22 3kno h GLU 60 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 3kno h GLU 60 Cb 0.11 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.69 3kno h GLU 60 CO 0.00 0.33 -0.11 0.00 -1.18 0.00 0.00 179.01 178.05 3kno h ARG 61 N 0.00 0.00 0.00 1.92 -0.00 -1.51 -3.14 114.38 111.65 3kno h ARG 61 Ca -0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.35 3kno h ARG 61 Cb 1.53 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.50 3kno h ARG 61 CO 0.05 0.93 0.00 1.17 0.00 0.00 0.00 179.97 182.12 3kno n LYS 62 N -4.61 0.11 0.13 0.04 4.81 -1.25 0.14 118.16 117.53 3kno n LYS 62 Ca -0.11 0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 3kno n LYS 62 Cb 0.47 -1.50 0.08 0.00 0.02 0.00 0.00 35.03 34.09 3kno n LYS 62 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3kno h ALA 63 N 2.27 0.70 -0.01 3.14 0.00 -1.47 -3.09 119.26 120.80 3kno h ALA 63 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3kno h ALA 63 Cb 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3kno h ALA 63 CO 0.00 0.78 -0.34 0.39 0.00 0.00 0.00 179.25 180.08 3kno n GLU 64 N -3.41 1.15 0.16 0.00 -0.58 0.37 -3.85 120.64 114.48 3kno n GLU 64 Ca 0.00 -0.85 -0.07 0.00 -0.42 0.00 0.00 57.16 55.83 3kno n GLU 64 Cb 0.72 -1.48 -0.03 0.00 -0.57 0.00 0.00 31.44 30.08 3kno n GLU 64 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kno h ALA 65 N 3.87 -0.64 0.00 0.62 0.00 -1.43 -2.97 119.26 118.71 3kno h ALA 65 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3kno h ALA 65 Cb 0.66 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3kno h ALA 65 CO 0.00 -0.61 0.12 0.93 0.00 0.00 0.00 179.25 179.69 3kno h GLU 66 N -0.75 0.00 -0.82 0.00 4.39 -1.74 0.28 114.58 115.95 3kno h GLU 66 Ca -0.05 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.36 3kno h GLU 66 Cb 0.34 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 28.82 3kno h GLU 66 CO 0.08 0.00 0.37 0.54 -1.16 0.00 0.00 179.01 178.84 3kno n ARG 67 N -2.95 3.41 -1.14 2.33 1.74 -1.19 -1.97 116.66 116.88 3kno n ARG 67 Ca -0.03 -3.06 -0.06 0.00 -0.77 0.00 0.00 57.85 53.93 3kno n ARG 67 Cb 0.18 -2.22 -0.04 0.00 -1.02 0.00 0.00 32.46 29.36 3kno n ARG 67 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3kno n LEU 68 N -0.37 -0.95 0.17 0.55 0.00 0.91 -4.87 117.00 112.43 3kno n LEU 68 Ca 0.46 -1.95 0.00 0.00 0.00 0.00 0.00 56.01 54.52 3kno n LEU 68 Cb 1.47 0.02 0.00 0.00 0.00 0.00 0.00 43.42 44.91 3kno n LEU 68 CO 0.49 1.43 0.00 1.17 0.00 0.00 0.00 177.39 180.48 3kno n LYS 69 N -0.17 0.00 0.18 1.96 0.00 -0.75 -4.54 118.16 114.84 3kno n LYS 69 Ca -0.24 0.00 0.08 0.00 0.00 0.00 0.00 58.31 58.14 3kno n LYS 69 Cb 0.68 0.00 0.41 0.00 0.00 0.00 0.00 35.03 36.12 3kno n LYS 69 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 3kno h GLU 70 N 0.00 0.00 0.00 1.64 4.39 -1.60 -1.61 114.58 117.40 3kno h GLU 70 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3kno h GLU 70 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3kno h GLU 70 CO 0.00 0.00 -0.78 0.44 -1.16 0.00 0.00 179.01 177.51 3kno n ILE 71 N -2.14 0.15 -2.15 3.13 -5.35 -1.25 -4.86 119.36 106.89 3kno n ILE 71 Ca -0.01 0.05 -0.40 0.00 -0.27 0.00 0.00 62.75 62.12 3kno n ILE 71 Cb 0.32 -1.41 0.03 0.00 -1.74 0.00 0.00 39.64 36.84 3kno n ILE 71 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 3kno n LEU 72 N -3.02 7.46 0.00 7.28 -0.00 -1.06 -4.16 117.00 123.50 3kno n LEU 72 Ca 0.00 -5.01 0.00 0.00 -0.00 0.00 0.00 56.01 51.00 3kno n LEU 72 Cb 0.39 -1.09 0.00 0.00 -0.00 0.00 0.00 43.42 42.72 3kno n LEU 72 CO 0.00 1.85 -0.09 1.21 -0.00 0.00 0.00 177.39 180.36 3kno n GLU 73 N -0.39 0.00 0.24 1.96 2.13 -0.63 -4.40 120.64 119.55 3kno n GLU 73 Ca 0.52 0.00 0.09 0.00 0.66 0.00 0.00 57.16 58.42 3kno n GLU 73 Cb 0.24 -0.15 0.62 0.00 0.27 0.00 0.00 31.44 32.42 3kno n GLU 73 CO 0.00 0.00 0.00 -2.95 -0.41 0.00 0.00 177.13 173.77 3kno h ASN 74 N 0.00 0.00 -4.26 4.31 7.08 -1.74 -3.42 115.58 117.55 3kno h ASN 74 Ca 0.00 0.00 -0.52 0.00 -3.08 0.00 0.00 56.30 52.70 3kno h ASN 74 Cb 0.19 0.00 0.15 0.00 -2.08 0.00 0.00 38.32 36.58 3kno h ASN 74 CO 0.00 0.14 0.31 -0.22 -2.08 0.00 0.00 177.43 175.58 3kno s LEU 75 N -8.16 3.07 0.00 6.14 2.96 -1.26 -5.00 118.68 116.43 3kno s LEU 75 Ca -0.04 2.07 0.00 0.00 -0.22 0.00 0.00 54.13 55.95 3kno s LEU 75 Cb 0.15 -4.55 0.00 0.00 0.50 0.00 0.00 46.19 42.29 3kno s LEU 75 CO 0.65 -2.39 0.00 0.35 -1.32 0.00 0.00 176.35 173.64 3kno n THR 76 N -3.47 0.00 -1.26 3.68 -2.24 -1.26 -4.65 114.28 105.09 3kno n THR 76 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 3kno n THR 76 Cb 0.52 -1.08 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 3kno n THR 76 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kno n LEU 77 N -2.75 -0.54 -4.70 3.22 4.77 -1.26 -4.04 117.00 111.70 3kno n LEU 77 Ca 0.00 0.76 -0.23 0.00 -0.03 0.00 0.00 56.01 56.51 3kno n LEU 77 Cb 0.38 -1.76 -0.07 0.00 -2.33 0.00 0.00 43.42 39.64 3kno n LEU 77 CO 0.00 0.01 -0.24 -0.89 -1.33 0.00 0.00 177.39 174.94 3kno s THR 78 N -2.43 3.20 -0.22 -5.08 2.01 -1.26 -3.68 115.64 108.18 3kno s THR 78 Ca 0.00 -1.76 0.00 0.00 0.31 0.00 0.00 61.69 60.24 3kno s THR 78 Cb 0.00 -2.95 0.03 0.00 0.01 0.00 0.00 72.50 69.59 3kno s THR 78 CO 0.00 -0.25 -0.13 -0.63 -0.69 0.00 0.00 174.62 172.92 3kno s ILE 79 N -2.39 2.40 -0.94 1.82 -1.09 -0.44 -4.93 121.20 115.64 3kno s ILE 79 Ca 0.35 -1.08 -0.25 0.00 -2.23 0.00 0.00 60.65 57.44 3kno s ILE 79 Cb -0.04 -2.16 -0.20 0.00 -1.58 0.00 0.00 42.46 38.48 3kno s ILE 79 CO 0.22 0.32 2.17 -0.81 -1.23 0.00 0.00 174.94 175.60 3kno n PRO 80 N 4.61 0.24 0.00 2.79 -0.04 -1.26 -0.60 135.00 140.73 3kno n PRO 80 Ca -0.18 -1.30 0.00 0.00 -0.04 0.00 0.00 63.50 61.98 3kno n PRO 80 Cb 0.48 -3.66 0.00 0.00 -0.04 0.00 0.00 33.50 30.28 3kno n PRO 80 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3kno n VAL 81 N 8.72 0.00 -3.02 0.52 0.31 -1.26 -4.86 118.33 118.73 3kno n VAL 81 Ca 0.42 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.78 3kno n VAL 81 Cb 0.45 -1.67 -0.00 0.00 -0.91 0.00 0.00 33.84 31.71 3kno n VAL 81 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3kno s ARG 82 N -0.02 0.37 0.00 5.55 3.52 -1.25 -4.26 118.95 122.86 3kno s ARG 82 Ca 0.00 0.03 0.00 0.00 -0.13 0.00 0.00 55.73 55.63 3kno s ARG 82 Cb 0.00 0.08 0.00 0.00 -1.56 0.00 0.00 34.95 33.47 3kno s ARG 82 CO 0.00 -0.58 0.00 0.00 -0.81 0.00 0.00 175.30 173.91 3kno n ALA 83 N 4.45 0.00 -3.15 6.12 0.00 -1.26 -4.31 120.51 122.36 3kno n ALA 83 Ca 0.08 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.57 3kno n ALA 83 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.04 3kno n ALA 83 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kno s GLY 84 N 0.00 -0.81 0.00 0.00 0.00 -1.26 -4.92 107.32 100.33 3kno s GLY 84 Ca 0.00 2.10 0.00 0.00 0.00 0.00 0.00 44.72 46.82 3kno s GLY 84 CO 0.00 3.86 0.00 1.18 0.00 0.00 0.00 173.10 178.14 3kno n GLU 85 N 5.32 0.00 0.00 2.90 -0.58 -1.26 -4.45 120.64 122.57 3kno n GLU 85 Ca 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 3kno n GLU 85 Cb 0.55 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.42 3kno n GLU 85 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3kno n THR 86 N 0.00 0.00 -1.03 2.62 -2.24 -1.26 -4.81 114.28 107.57 3kno n THR 86 Ca 0.00 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.38 3kno n THR 86 Cb 0.00 -0.40 -0.06 0.00 -2.10 0.00 0.00 70.33 67.78 3kno n THR 86 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3kno n LYS 87 N 0.00 0.00 -1.20 -0.78 4.76 -1.26 -4.41 118.16 115.27 3kno n LYS 87 Ca 0.00 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.35 3kno n LYS 87 Cb 0.00 -0.98 0.05 0.00 -1.84 0.00 0.00 35.03 32.25 3kno n LYS 87 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3kno n ILE 88 N 1.40 0.00 0.03 -0.18 2.08 -1.26 -4.05 119.36 117.38 3kno n ILE 88 Ca 0.15 -0.52 -0.01 0.00 0.56 0.00 0.00 62.75 62.93 3kno n ILE 88 Cb 0.03 -1.32 -0.00 0.00 -0.75 0.00 0.00 39.64 37.60 3kno n ILE 88 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 3kno n TYR 89 N -2.04 0.00 -0.19 1.39 4.02 -1.26 -4.82 117.16 114.27 3kno n TYR 89 Ca 0.06 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 58.03 3kno n TYR 89 Cb 0.21 -0.06 0.30 0.00 -0.02 0.00 0.00 39.34 39.77 3kno n TYR 89 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kno n GLY 90 N 3.22 2.20 0.81 2.72 0.00 -1.26 -5.07 105.19 107.81 3kno n GLY 90 Ca -0.02 -0.70 0.06 0.00 0.00 0.00 0.00 46.02 45.36 3kno n GLY 90 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kno n SER 91 N 0.98 -2.69 -4.08 1.61 3.41 -1.26 -4.94 113.62 106.65 3kno n SER 91 Ca 0.21 0.39 -0.21 0.00 -0.26 0.00 0.00 58.87 59.01 3kno n SER 91 Cb 0.72 -2.58 -0.15 0.00 -0.26 0.00 0.00 64.21 61.94 3kno n SER 91 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3kno s VAL 92 N -3.80 0.97 0.00 -3.33 0.11 -1.26 -4.86 120.40 108.23 3kno s VAL 92 Ca 0.00 -0.52 0.00 0.00 -2.93 0.00 0.00 61.98 58.53 3kno s VAL 92 Cb 0.00 -0.81 0.00 0.00 -1.53 0.00 0.00 36.38 34.04 3kno s VAL 92 CO 0.00 0.28 0.00 0.35 -3.33 0.00 0.00 175.10 172.40 3kno n THR 93 N 2.80 0.00 0.00 5.04 -2.24 -1.26 -1.20 114.28 117.42 3kno n THR 93 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3kno n THR 93 Cb 0.56 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 3kno n THR 93 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kno n ALA 94 N -3.00 -0.28 0.00 6.98 0.00 -1.26 0.18 120.51 123.12 3kno n ALA 94 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kno n ALA 94 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.48 3kno n ALA 94 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kno n LYS 95 N -1.47 0.00 -0.07 0.00 4.76 -1.26 -1.35 118.16 118.76 3kno n LYS 95 Ca 0.00 0.19 -0.07 0.00 -2.87 0.00 0.00 58.31 55.56 3kno n LYS 95 Cb 0.00 -1.81 -0.02 0.00 -1.84 0.00 0.00 35.03 31.36 3kno n LYS 95 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3kno n ASP 96 N -1.18 1.66 -0.15 4.39 10.43 -0.58 -4.18 116.55 126.93 3kno n ASP 96 Ca 0.00 0.35 -0.06 0.00 2.57 0.00 0.00 54.79 57.65 3kno n ASP 96 Cb 0.31 -0.73 0.03 0.00 1.84 0.00 0.00 41.12 42.56 3kno n ASP 96 CO 0.00 0.00 0.00 0.40 -1.07 0.00 0.00 177.20 176.53 3kno h ILE 97 N -0.87 1.01 -0.45 0.53 2.04 0.28 -2.73 117.51 117.32 3kno h ILE 97 Ca 0.00 -0.18 0.08 0.00 1.00 0.00 0.00 64.86 65.76 3kno h ILE 97 Cb 0.78 0.45 -0.10 0.00 -0.74 0.00 0.00 36.82 37.21 3kno h ILE 97 CO 0.00 0.09 -0.39 0.00 0.00 0.00 0.00 178.15 177.86 3kno h ALA 98 N 1.22 -0.29 -2.41 1.87 0.00 -1.40 -2.64 119.26 115.61 3kno h ALA 98 Ca 0.19 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3kno h ALA 98 Cb 0.06 0.83 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3kno h ALA 98 CO -0.11 -0.79 0.00 0.39 0.00 0.00 0.00 179.25 178.74 3kno n GLU 99 N -5.42 0.00 -0.35 0.00 4.71 -1.04 -0.24 120.64 118.30 3kno n GLU 99 Ca 0.01 0.50 -0.10 0.00 -0.01 0.00 0.00 57.16 57.55 3kno n GLU 99 Cb 0.35 -1.10 -0.01 0.00 -1.01 0.00 0.00 31.44 29.67 3kno n GLU 99 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3kno n ALA 100 N -1.28 2.78 0.00 0.62 0.00 -1.01 -0.03 120.51 121.60 3kno n ALA 100 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.49 3kno n ALA 100 Cb 0.00 -2.73 0.00 0.00 0.00 0.00 0.00 19.45 16.72 3kno n ALA 100 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3kno n LEU 101 N 4.58 0.00 -0.49 0.00 7.94 0.08 -4.71 117.00 124.40 3kno n LEU 101 Ca 0.21 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 55.17 3kno n LEU 101 Cb 0.07 0.00 0.11 0.00 0.53 0.00 0.00 43.42 44.13 3kno n LEU 101 CO 0.59 0.00 0.38 -1.20 -1.11 0.00 0.00 177.39 176.05 3kno n SER 102 N -0.20 1.52 0.00 1.96 7.64 0.96 -2.94 113.62 122.56 3kno n SER 102 Ca 0.00 -2.94 0.00 0.00 1.01 0.00 0.00 58.87 56.94 3kno n SER 102 Cb 0.00 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 3kno n SER 102 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3kno n ARG 103 N -0.81 0.00 -0.33 1.43 5.12 -0.54 -4.03 116.66 117.51 3kno n ARG 103 Ca 0.12 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 56.09 3kno n ARG 103 Cb 0.73 -0.22 0.18 0.00 -1.16 0.00 0.00 32.46 31.99 3kno n ARG 103 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 3kno n GLN 104 N -1.78 2.46 0.00 5.56 7.27 -1.25 -3.88 117.38 125.76 3kno n GLN 104 Ca 0.00 -1.44 0.00 0.00 0.07 0.00 0.00 57.00 55.63 3kno n GLN 104 Cb 0.00 -1.63 0.00 0.00 2.41 0.00 0.00 30.24 31.02 3kno n GLN 104 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 3kno n HIS 105 N 0.41 0.00 -3.73 3.69 8.25 -1.26 -4.83 115.22 117.75 3kno n HIS 105 Ca 0.13 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.37 3kno n HIS 105 Cb 0.54 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.68 3kno n HIS 105 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kno n GLY 106 N 0.00 -0.35 2.80 -1.41 0.00 -1.25 -4.92 105.19 100.06 3kno n GLY 106 Ca 0.00 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 3kno n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kno s VAL 107 N -3.70 1.19 0.05 1.61 1.01 -1.15 -4.91 120.40 114.50 3kno s VAL 107 Ca 0.04 -1.59 -0.19 0.00 0.00 0.00 0.00 61.98 60.25 3kno s VAL 107 Cb -0.01 -1.88 -0.10 0.00 0.00 0.00 0.00 36.38 34.38 3kno s VAL 107 CO 0.83 -0.64 0.44 0.41 0.00 0.00 0.00 175.10 176.14 3kno n THR 108 N 4.72 0.52 -3.75 3.92 -1.04 -1.26 -3.96 114.28 113.43 3kno n THR 108 Ca -0.01 -0.13 -0.13 0.00 -2.04 0.00 0.00 64.05 61.74 3kno n THR 108 Cb 0.42 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.82 3kno n THR 108 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3kno s ILE 109 N -0.26 -0.00 -0.64 12.58 1.10 -1.26 -4.97 121.20 127.75 3kno s ILE 109 Ca 0.43 0.02 -0.26 0.00 -0.51 0.00 0.00 60.65 60.32 3kno s ILE 109 Cb -0.61 -0.49 0.04 0.00 0.15 0.00 0.00 42.46 41.54 3kno s ILE 109 CO 0.31 0.01 1.14 -0.62 -2.11 0.00 0.00 174.94 173.67 3kno s ASP 110 N 0.37 6.30 -0.29 4.50 -1.08 -1.26 -4.91 116.67 120.29 3kno s ASP 110 Ca -0.02 -0.31 -0.03 0.00 -0.52 0.00 0.00 52.55 51.68 3kno s ASP 110 Cb -0.03 -2.52 -0.05 0.00 -1.46 0.00 0.00 42.92 38.86 3kno s ASP 110 CO -0.01 -1.55 1.57 -0.81 0.52 0.00 0.00 175.17 174.89 3kno n PRO 111 N 8.47 0.94 0.00 4.34 -0.04 -1.26 -4.34 135.00 143.11 3kno n PRO 111 Ca 0.04 -0.73 0.00 0.00 -0.04 0.00 0.00 63.50 62.77 3kno n PRO 111 Cb 0.48 -1.99 0.00 0.00 -0.04 0.00 0.00 33.50 31.95 3kno n PRO 111 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3kno n LYS 112 N 3.80 0.00 -0.45 0.54 5.02 -1.26 -4.82 118.16 120.98 3kno n LYS 112 Ca 0.20 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.37 3kno n LYS 112 Cb 0.17 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.15 3kno n LYS 112 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 3kno n ARG 113 N 0.00 1.21 -1.24 1.97 1.85 -1.26 -3.46 116.66 115.73 3kno n ARG 113 Ca 0.00 -0.93 -0.05 0.00 -1.00 0.00 0.00 57.85 55.88 3kno n ARG 113 Cb 0.00 -2.13 0.13 0.00 -1.05 0.00 0.00 32.46 29.40 3kno n ARG 113 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3kno n LEU 114 N 4.03 3.29 -2.34 2.89 4.32 -1.26 -3.30 117.00 124.63 3kno n LEU 114 Ca 0.26 -4.02 -0.07 0.00 -0.02 0.00 0.00 56.01 52.15 3kno n LEU 114 Cb 0.15 -0.39 0.03 0.00 -1.62 0.00 0.00 43.42 41.60 3kno n LEU 114 CO 0.52 1.57 0.02 0.00 -1.22 0.00 0.00 177.39 178.27 3kno n ALA 115 N -0.85 -1.44 -2.44 -1.18 0.00 -1.25 0.25 120.51 113.61 3kno n ALA 115 Ca 0.26 0.06 -0.27 0.00 0.00 0.00 0.00 53.44 53.49 3kno n ALA 115 Cb 0.82 -2.99 -0.15 0.00 0.00 0.00 0.00 19.45 17.13 3kno n ALA 115 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3kno s LEU 116 N -4.16 2.09 0.00 0.00 2.96 -1.22 -4.38 118.68 113.97 3kno s LEU 116 Ca 0.21 -0.43 -0.11 0.00 -0.22 0.00 0.00 54.13 53.58 3kno s LEU 116 Cb -0.03 -1.05 0.04 0.00 0.50 0.00 0.00 46.19 45.65 3kno s LEU 116 CO 0.36 0.23 0.52 -1.84 -1.32 0.00 0.00 176.35 174.29 3kno n GLU 117 N 2.31 0.14 0.00 1.98 0.28 -1.26 -4.89 120.64 119.19 3kno n GLU 117 Ca -0.16 -0.43 0.00 0.00 -0.16 0.00 0.00 57.16 56.41 3kno n GLU 117 Cb 0.53 0.65 0.00 0.00 1.43 0.00 0.00 31.44 34.05 3kno n GLU 117 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 3kno n LYS 118 N -0.37 0.00 -1.31 3.44 0.00 -1.26 -4.71 118.16 113.95 3kno n LYS 118 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 58.31 57.88 3kno n LYS 118 Cb 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.26 3kno n LYS 118 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 3kno n PRO 119 N 0.30 0.00 0.00 1.64 -0.04 -1.26 -4.96 135.00 130.68 3kno n PRO 119 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3kno n PRO 119 Cb 0.00 -0.97 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 3kno n PRO 119 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3kno n ILE 120 N -0.50 0.00 -2.42 0.52 5.41 -0.34 -4.93 119.36 117.09 3kno n ILE 120 Ca 0.14 0.28 -0.06 0.00 1.00 0.00 0.00 62.75 64.11 3kno n ILE 120 Cb 0.32 -0.73 0.03 0.00 -0.71 0.00 0.00 39.64 38.55 3kno n ILE 120 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3kno n LYS 121 N -0.14 -1.09 0.00 0.38 4.81 -1.26 -4.89 118.16 115.96 3kno n LYS 121 Ca 0.00 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 58.05 3kno n LYS 121 Cb 0.00 -3.83 0.00 0.00 0.02 0.00 0.00 35.03 31.22 3kno n LYS 121 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 3kno n GLU 122 N -2.19 0.00 -3.67 1.64 0.00 -1.26 -4.08 120.64 111.08 3kno n GLU 122 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 57.16 57.03 3kno n GLU 122 Cb 0.55 0.00 -0.09 0.00 0.00 0.00 0.00 31.44 31.90 3kno n GLU 122 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3kno s LEU 123 N 0.00 -0.41 0.00 4.31 1.43 -1.26 -4.70 118.68 118.05 3kno s LEU 123 Ca 0.00 1.20 0.00 0.00 -1.03 0.00 0.00 54.13 54.30 3kno s LEU 123 Cb 0.00 1.94 0.00 0.00 0.03 0.00 0.00 46.19 48.16 3kno s LEU 123 CO 0.00 -0.21 0.00 0.61 0.23 0.00 0.00 176.35 176.98 3kno n GLY 124 N 3.68 -0.26 3.23 -3.19 0.00 -1.26 -5.04 105.19 102.35 3kno n GLY 124 Ca -0.18 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.12 3kno n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kno s GLU 125 N -0.31 3.09 -0.11 1.61 0.41 -1.26 -3.68 118.70 118.44 3kno s GLU 125 Ca 0.00 -0.85 -0.01 0.00 -0.41 0.00 0.00 54.97 53.70 3kno s GLU 125 Cb 0.00 -2.37 0.03 0.00 -1.78 0.00 0.00 34.13 30.01 3kno s GLU 125 CO 0.00 0.15 -0.05 0.71 -0.49 0.00 0.00 175.26 175.57 3kno s TYR 126 N 0.43 1.34 0.26 1.61 1.51 -1.12 -5.03 117.35 116.35 3kno s TYR 126 Ca -0.16 -0.67 -0.13 0.00 -1.01 0.00 0.00 57.07 55.10 3kno s TYR 126 Cb -0.17 -1.15 -0.08 0.00 -0.11 0.00 0.00 41.96 40.44 3kno s TYR 126 CO 0.07 -0.49 0.65 0.08 -1.11 0.00 0.00 175.55 174.74 3kno s VAL 127 N 1.76 4.78 0.00 0.71 1.01 -1.26 -1.64 120.40 125.76 3kno s VAL 127 Ca 0.04 0.78 0.00 0.00 0.00 0.00 0.00 61.98 62.80 3kno s VAL 127 Cb -0.13 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.61 3kno s VAL 127 CO -0.08 -0.08 0.00 0.18 0.00 0.00 0.00 175.10 175.13 3kno n LEU 128 N -0.10 0.00 0.00 3.92 4.77 -1.13 -4.90 117.00 119.57 3kno n LEU 128 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3kno n LEU 128 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3kno n LEU 128 CO 0.43 0.00 0.00 1.07 -1.33 0.00 0.00 177.39 177.56 3kno n THR 129 N 0.00 0.00 0.00 -5.08 5.66 0.70 -2.75 114.28 112.82 3kno n THR 129 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3kno n THR 129 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3kno n THR 129 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kno n TYR 130 N 0.00 0.00 0.00 1.09 9.36 -1.22 -3.91 117.16 122.48 3kno n TYR 130 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 3kno n TYR 130 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 3kno n TYR 130 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 3kno n LYS 131 N -1.51 0.00 0.04 2.98 3.00 -1.21 -3.15 118.16 118.31 3kno n LYS 131 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.29 3kno n LYS 131 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.02 3kno n LYS 131 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 3kno h PRO 132 N 0.00 -0.12 0.00 1.64 0.11 -1.99 -3.43 132.00 128.21 3kno h PRO 132 Ca 0.00 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.12 3kno h PRO 132 Cb 0.00 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.14 3kno h PRO 132 CO 0.00 -0.08 0.00 0.72 -0.21 0.00 0.00 178.00 178.43 3kno n HIS 133 N -2.71 -0.53 -1.01 0.65 8.25 -1.26 -4.81 115.22 113.80 3kno n HIS 133 Ca -0.02 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.10 3kno n HIS 133 Cb 0.05 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.14 3kno n HIS 133 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3kno n PRO 134 N 0.00 0.00 0.00 -0.41 -0.02 -1.26 -4.96 135.00 128.35 3kno n PRO 134 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3kno n PRO 134 Cb 0.00 -0.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.75 3kno n PRO 134 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kno n GLU 135 N 0.80 0.82 -2.83 -0.52 -0.58 -1.26 -4.71 120.64 112.37 3kno n GLU 135 Ca 0.12 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.86 3kno n GLU 135 Cb 0.21 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 31.09 3kno n GLU 135 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3kno s VAL 136 N -0.15 -0.45 -0.17 2.62 0.11 -1.19 -4.89 120.40 116.29 3kno s VAL 136 Ca 0.00 -0.16 -0.28 0.00 -2.93 0.00 0.00 61.98 58.60 3kno s VAL 136 Cb 0.00 0.00 -0.06 0.00 -1.53 0.00 0.00 36.38 34.79 3kno s VAL 136 CO 0.00 0.00 2.17 -2.84 -3.33 0.00 0.00 175.10 171.10 3kno s PRO 137 N 1.57 3.31 -0.31 1.54 0.02 -1.25 -3.83 135.00 136.05 3kno s PRO 137 Ca 0.19 2.13 0.03 0.00 0.02 0.00 0.00 61.00 63.36 3kno s PRO 137 Cb 0.04 -4.33 0.08 0.00 0.02 0.00 0.00 34.50 30.31 3kno s PRO 137 CO -0.11 -1.90 -0.00 0.42 -0.33 0.00 0.00 177.00 175.08 3kno s ILE 138 N 7.60 2.37 0.35 2.83 1.01 -1.11 -4.81 121.20 129.44 3kno s ILE 138 Ca 0.98 -1.99 -0.06 0.00 0.00 0.00 0.00 60.65 59.58 3kno s ILE 138 Cb -0.35 -2.58 0.09 0.00 0.01 0.00 0.00 42.46 39.63 3kno s ILE 138 CO 0.36 -0.36 0.24 0.00 0.00 0.00 0.00 174.94 175.19 3kno n GLN 139 N 4.37 -2.24 -3.61 2.79 10.64 -1.26 -2.82 117.38 125.25 3kno n GLN 139 Ca -0.04 -0.40 0.02 0.00 -1.83 0.00 0.00 57.00 54.75 3kno n GLN 139 Cb 0.42 -0.45 -0.06 0.00 -0.86 0.00 0.00 30.24 29.29 3kno n GLN 139 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 3kno s LEU 140 N 0.00 -0.11 -0.19 2.61 2.96 -0.65 -4.83 118.68 118.47 3kno s LEU 140 Ca 0.17 0.17 -0.06 0.00 -0.22 0.00 0.00 54.13 54.19 3kno s LEU 140 Cb -0.02 1.15 -0.03 0.00 0.50 0.00 0.00 46.19 47.78 3kno s LEU 140 CO 0.14 -0.03 0.04 -0.54 -1.32 0.00 0.00 176.35 174.64 3kno s LYS 141 N 1.16 3.82 -0.40 1.98 1.02 -1.24 -2.80 119.74 123.28 3kno s LYS 141 Ca -0.08 -0.42 -0.29 0.00 0.02 0.00 0.00 55.97 55.20 3kno s LYS 141 Cb -0.02 -3.16 0.02 0.00 -0.52 0.00 0.00 37.83 34.15 3kno s LYS 141 CO -0.11 0.16 1.22 0.08 -0.92 0.00 0.00 175.35 175.78 3kno s VAL 142 N 0.65 4.19 0.00 3.17 1.01 -1.24 -1.32 120.40 126.85 3kno s VAL 142 Ca 0.02 1.28 0.00 0.00 0.00 0.00 0.00 61.98 63.27 3kno s VAL 142 Cb -0.13 -4.39 0.00 0.00 0.00 0.00 0.00 36.38 31.85 3kno s VAL 142 CO 0.02 -0.74 0.00 -1.20 0.00 0.00 0.00 175.10 173.18 3kno n SER 143 N 7.81 0.00 0.00 3.32 7.64 0.23 -4.54 113.62 128.08 3kno n SER 143 Ca 0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.02 3kno n SER 143 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 3kno n SER 143 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 3kno n VAL 144 N 0.00 0.00 -1.80 0.44 0.24 -1.26 -4.65 118.33 111.29 3kno n VAL 144 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3kno n VAL 144 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3kno n VAL 144 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3kno n VAL 145 N 0.00 -6.56 0.00 3.34 0.31 -1.26 -3.79 118.33 110.37 3kno n VAL 145 Ca 0.00 1.71 0.00 0.00 -0.01 0.00 0.00 64.34 66.04 3kno n VAL 145 Cb 0.00 -2.93 0.00 0.00 -0.91 0.00 0.00 33.84 30.00 3kno n VAL 145 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51