#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kno s ARG 3 N 0.00 0.12 0.25 -0.72 3.52 -1.26 -4.27 118.95 116.60 3kno s ARG 3 Ca 0.00 -0.00 -0.22 0.00 -0.13 0.00 0.00 55.73 55.38 3kno s ARG 3 Cb 0.00 0.06 0.03 0.00 -1.56 0.00 0.00 34.95 33.48 3kno s ARG 3 CO 0.00 -0.05 0.71 -1.17 -0.81 0.00 0.00 175.30 173.98 3kno s LEU 4 N -1.43 -0.32 0.00 -0.88 2.96 -0.83 -4.95 118.68 113.22 3kno s LEU 4 Ca 0.09 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.52 3kno s LEU 4 Cb -0.01 2.68 0.00 0.00 0.50 0.00 0.00 46.19 49.36 3kno s LEU 4 CO -0.05 -1.25 0.00 0.29 -1.32 0.00 0.00 176.35 174.01 3kno n LYS 5 N -0.44 1.35 0.00 1.98 5.02 -1.26 -3.42 118.16 121.39 3kno n LYS 5 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 3kno n LYS 5 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.61 3kno n LYS 5 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kno n ALA 6 N -3.00 0.00 -3.04 7.82 0.00 -1.26 -4.25 120.51 116.77 3kno n ALA 6 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3kno n ALA 6 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 3kno n ALA 6 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3kno s TYR 7 N -2.00 0.33 0.10 0.00 1.51 -1.18 -4.58 117.35 111.54 3kno s TYR 7 Ca 0.00 -0.69 -0.20 0.00 -1.01 0.00 0.00 57.07 55.17 3kno s TYR 7 Cb 0.00 0.13 -0.07 0.00 -0.11 0.00 0.00 41.96 41.91 3kno s TYR 7 CO 0.00 -0.90 0.62 0.71 -1.11 0.00 0.00 175.55 174.87 3kno s TYR 8 N -3.99 3.82 -0.29 2.71 1.51 -1.26 -2.14 117.35 117.71 3kno s TYR 8 Ca 0.20 1.35 -0.11 0.00 -1.01 0.00 0.00 57.07 57.50 3kno s TYR 8 Cb 0.01 -2.56 -0.05 0.00 -0.11 0.00 0.00 41.96 39.25 3kno s TYR 8 CO 0.05 0.56 0.19 0.50 -1.11 0.00 0.00 175.55 175.74 3kno s ARG 9 N -1.18 3.90 0.02 -0.62 3.52 -0.19 -4.85 118.95 119.56 3kno s ARG 9 Ca 0.31 -0.35 -0.23 0.00 -0.13 0.00 0.00 55.73 55.33 3kno s ARG 9 Cb -0.20 -3.67 -0.16 0.00 -1.56 0.00 0.00 34.95 29.35 3kno s ARG 9 CO 0.21 -0.21 1.39 0.93 -0.81 0.00 0.00 175.30 176.81 3kno h GLU 10 N 8.38 0.14 0.00 5.12 3.07 -1.97 -3.45 114.58 125.86 3kno h GLU 10 Ca -0.35 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.46 3kno h GLU 10 Cb 1.19 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.09 3kno h GLU 10 CO 0.56 0.48 0.00 0.41 -1.40 0.00 0.00 179.01 179.06 3kno n GLY 11 N -0.06 0.17 3.09 -3.84 0.00 -1.26 -5.13 105.19 98.17 3kno n GLY 11 Ca -0.07 -0.61 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 3kno n GLY 11 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kno s GLU 12 N 0.00 0.61 -0.10 1.61 8.01 -1.26 -5.00 118.70 122.57 3kno s GLU 12 Ca 0.00 -0.87 -0.09 0.00 0.01 0.00 0.00 54.97 54.02 3kno s GLU 12 Cb 0.00 -0.34 0.01 0.00 -4.31 0.00 0.00 34.13 29.49 3kno s GLU 12 CO 0.00 0.05 0.15 1.63 0.01 0.00 0.00 175.26 177.10 3kno n LYS 13 N 1.19 -0.44 0.33 1.61 5.02 -1.26 -4.74 118.16 119.88 3kno n LYS 13 Ca -0.21 0.33 0.20 0.00 -2.02 0.00 0.00 58.31 56.61 3kno n LYS 13 Cb 0.56 -0.46 1.07 0.00 -0.02 0.00 0.00 35.03 36.17 3kno n LYS 13 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3kno h PRO 14 N 0.60 0.00 0.00 1.97 0.11 -1.99 -1.36 132.00 131.34 3kno h PRO 14 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 3kno h PRO 14 Cb 0.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.45 3kno h PRO 14 CO 0.05 0.00 0.00 0.45 -0.21 0.00 0.00 178.00 178.29 3kno n SER 15 N -2.99 0.00 0.21 -2.05 2.88 -1.26 -3.01 113.62 107.41 3kno n SER 15 Ca -0.03 0.45 0.18 0.00 -1.33 0.00 0.00 58.87 58.15 3kno n SER 15 Cb 0.18 -0.15 0.83 0.00 -0.75 0.00 0.00 64.21 64.33 3kno n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kno h ALA 16 N -2.00 1.72 -0.63 -1.46 0.00 -1.89 0.27 119.26 115.27 3kno h ALA 16 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3kno h ALA 16 Cb 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3kno h ALA 16 CO 0.00 -0.38 0.35 1.25 0.00 0.00 0.00 179.25 180.47 3kno h LEU 17 N 0.00 0.78 0.01 0.00 6.46 -1.34 -2.19 115.31 119.04 3kno h LEU 17 Ca 0.09 -0.09 -0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3kno h LEU 17 Cb 0.66 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.39 3kno h LEU 17 CO -0.00 0.64 -0.01 0.03 -0.62 0.00 0.00 178.44 178.49 3kno h ARG 18 N 0.86 -0.02 -0.55 1.25 3.08 -0.42 -2.94 114.38 115.64 3kno h ARG 18 Ca 0.22 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.32 3kno h ARG 18 Cb 0.03 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.02 3kno h ARG 18 CO -0.04 0.49 -0.32 -2.13 -1.07 0.00 0.00 179.97 176.90 3kno n ARG 19 N -4.85 -0.24 0.00 0.04 0.63 -0.60 -1.07 116.66 110.57 3kno n ARG 19 Ca -0.09 0.91 0.00 0.00 -0.92 0.00 0.00 57.85 57.76 3kno n ARG 19 Cb 0.26 -1.34 0.00 0.00 0.45 0.00 0.00 32.46 31.83 3kno n ARG 19 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kno n ALA 20 N -3.40 -0.07 0.00 5.13 0.00 -0.86 -4.87 120.51 116.44 3kno n ALA 20 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3kno n ALA 20 Cb 0.14 0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.81 3kno n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kno n GLY 21 N -0.88 0.00 3.32 0.00 0.00 -0.23 -5.11 105.19 102.29 3kno n GLY 21 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3kno n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kno s LYS 22 N 0.00 2.73 -0.72 1.61 3.01 -1.11 -0.17 119.74 125.08 3kno s LYS 22 Ca 0.00 -1.28 -0.26 0.00 -1.01 0.00 0.00 55.97 53.43 3kno s LYS 22 Cb 0.00 -3.77 -0.03 0.00 -1.01 0.00 0.00 37.83 33.01 3kno s LYS 22 CO 0.00 -0.84 1.92 -1.17 0.51 0.00 0.00 175.35 175.77 3kno s LEU 23 N 1.50 3.24 -0.07 3.17 2.96 -1.16 -3.83 118.68 124.49 3kno s LEU 23 Ca 0.02 -0.03 -0.38 0.00 -0.22 0.00 0.00 54.13 53.52 3kno s LEU 23 Cb -0.21 -2.54 -0.17 0.00 0.50 0.00 0.00 46.19 43.77 3kno s LEU 23 CO 0.04 -2.56 1.48 -2.65 -1.32 0.00 0.00 176.35 171.34 3kno n PRO 24 N 9.05 1.05 0.00 0.98 -0.02 -1.26 -2.87 135.00 141.93 3kno n PRO 24 Ca 0.29 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3kno n PRO 24 Cb 0.50 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3kno n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kno n GLY 25 N 3.11 5.43 3.62 -1.23 0.00 -0.66 -3.03 105.19 112.42 3kno n GLY 25 Ca 0.22 -1.18 0.03 0.00 0.00 0.00 0.00 46.02 45.08 3kno n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kno s VAL 26 N 0.86 0.00 0.03 1.61 0.11 -0.51 -2.71 120.40 119.79 3kno s VAL 26 Ca 0.00 -0.12 -0.06 0.00 -2.93 0.00 0.00 61.98 58.86 3kno s VAL 26 Cb 0.00 -2.08 -0.01 0.00 -1.53 0.00 0.00 36.38 32.77 3kno s VAL 26 CO 0.00 0.00 0.12 0.00 -3.33 0.00 0.00 175.10 171.89 3kno s MET 27 N -2.22 0.56 -0.22 1.54 0.23 0.17 0.12 119.30 119.48 3kno s MET 27 Ca 0.16 -0.62 -0.35 0.00 -1.03 0.00 0.00 55.69 53.85 3kno s MET 27 Cb 0.06 0.22 0.15 0.00 -1.53 0.00 0.00 34.83 33.73 3kno s MET 27 CO -0.05 -0.14 1.25 1.52 -2.03 0.00 0.00 175.02 175.57 3kno s TYR 28 N -2.16 -0.11 0.00 3.16 -0.85 -0.60 -1.30 117.35 115.49 3kno s TYR 28 Ca -0.09 0.10 0.00 0.00 -0.52 0.00 0.00 57.07 56.56 3kno s TYR 28 Cb -0.04 0.51 0.00 0.00 0.38 0.00 0.00 41.96 42.81 3kno s TYR 28 CO -0.02 -0.16 0.00 0.27 -1.52 0.00 0.00 175.55 174.12 3kno n ASN 29 N 0.06 0.00 0.00 -0.18 6.94 -0.93 -3.50 115.26 117.65 3kno n ASN 29 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.57 3kno n ASN 29 Cb 0.58 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.00 3kno n ASN 29 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 3kno n ARG 30 N 0.00 0.00 -0.05 -3.83 0.63 -1.26 -3.01 116.66 109.14 3kno n ARG 30 Ca 0.00 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.89 3kno n ARG 30 Cb 0.00 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.90 3kno n ARG 30 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3kno n HIS 31 N 0.00 0.12 -1.56 -0.14 -0.00 -1.26 -5.00 115.22 107.38 3kno n HIS 31 Ca 0.00 0.05 -0.35 0.00 -0.00 0.00 0.00 57.72 57.42 3kno n HIS 31 Cb 0.00 -0.33 0.08 0.00 -0.00 0.00 0.00 29.99 29.74 3kno n HIS 31 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 3kno s LEU 32 N -6.52 3.39 -0.39 2.41 2.96 -1.16 -5.02 118.68 114.35 3kno s LEU 32 Ca -0.14 2.36 -0.02 0.00 -0.22 0.00 0.00 54.13 56.12 3kno s LEU 32 Cb 0.02 -4.59 0.22 0.00 0.50 0.00 0.00 46.19 42.34 3kno s LEU 32 CO 0.20 -2.11 1.02 -3.20 -1.32 0.00 0.00 176.35 170.94 3kno n ASN 33 N -2.48 -2.02 -4.13 3.68 2.85 -1.26 -2.19 115.26 109.71 3kno n ASN 33 Ca 0.13 -1.74 -0.25 0.00 -0.11 0.00 0.00 54.58 52.61 3kno n ASN 33 Cb 0.50 1.06 -0.16 0.00 1.24 0.00 0.00 39.78 42.42 3kno n ASN 33 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 3kno s ARG 34 N 0.79 1.56 -0.13 1.20 1.81 -0.42 -5.02 118.95 118.73 3kno s ARG 34 Ca 0.26 -0.58 -0.20 0.00 -1.72 0.00 0.00 55.73 53.49 3kno s ARG 34 Cb 0.12 -1.41 -0.04 0.00 -0.45 0.00 0.00 34.95 33.17 3kno s ARG 34 CO -0.10 0.28 0.56 -1.59 -0.68 0.00 0.00 175.30 173.77 3kno s LYS 35 N -0.11 4.32 0.00 3.54 -2.85 -1.26 -0.66 119.74 122.72 3kno s LYS 35 Ca 0.00 0.57 0.00 0.00 -1.00 0.00 0.00 55.97 55.54 3kno s LYS 35 Cb -0.09 -3.48 0.00 0.00 -2.06 0.00 0.00 37.83 32.19 3kno s LYS 35 CO 0.01 0.02 0.00 1.33 0.10 0.00 0.00 175.35 176.81 3kno n VAL 36 N 4.01 0.00 -3.32 1.79 0.24 -1.10 -1.02 118.33 118.93 3kno n VAL 36 Ca -0.04 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.28 3kno n VAL 36 Cb 0.51 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.85 3kno n VAL 36 CO 0.00 0.00 0.00 -0.72 -2.14 0.00 0.00 176.83 173.97 3kno s TYR 37 N -0.49 -0.86 0.00 6.34 -0.85 -0.91 -1.66 117.35 118.92 3kno s TYR 37 Ca 0.00 1.22 0.00 0.00 -0.52 0.00 0.00 57.07 57.77 3kno s TYR 37 Cb 0.00 0.42 0.00 0.00 0.38 0.00 0.00 41.96 42.76 3kno s TYR 37 CO 0.00 -0.45 0.00 1.33 -1.52 0.00 0.00 175.55 174.91 3kno n VAL 38 N 5.23 0.00 -3.77 -3.49 0.24 -1.14 -3.10 118.33 112.30 3kno n VAL 38 Ca -0.07 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.08 3kno n VAL 38 Cb 0.52 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.74 3kno n VAL 38 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3kno s ASP 39 N -1.00 0.02 0.00 -1.34 -1.08 -1.26 -2.98 116.67 109.03 3kno s ASP 39 Ca 0.00 0.10 0.00 0.00 -0.52 0.00 0.00 52.55 52.13 3kno s ASP 39 Cb 0.00 -0.00 0.00 0.00 -1.46 0.00 0.00 42.92 41.46 3kno s ASP 39 CO 0.00 -0.12 0.71 0.18 0.52 0.00 0.00 175.17 176.46 3kno n LEU 40 N 4.09 0.00 -0.14 -1.34 4.77 0.76 0.13 117.00 125.26 3kno n LEU 40 Ca -0.26 0.71 -0.08 0.00 -0.03 0.00 0.00 56.01 56.34 3kno n LEU 40 Cb 0.51 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 3kno n LEU 40 CO 0.21 -0.21 0.60 1.62 -1.33 0.00 0.00 177.39 178.29 3kno h VAL 41 N 0.00 0.15 0.16 4.08 3.04 -1.99 0.13 116.25 121.82 3kno h VAL 41 Ca 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.68 3kno h VAL 41 Cb 0.00 0.15 0.00 0.00 -2.01 0.00 0.00 31.29 29.43 3kno h VAL 41 CO 0.00 0.00 -0.08 -0.33 -1.01 0.00 0.00 177.57 176.15 3kno h GLU 42 N -0.28 -0.21 -0.90 4.17 5.08 -1.88 -2.30 114.58 118.27 3kno h GLU 42 Ca 0.16 0.01 0.24 0.00 -1.00 0.00 0.00 59.36 58.78 3kno h GLU 42 Cb 0.57 0.05 -0.16 0.00 0.50 0.00 0.00 28.75 29.71 3kno h GLU 42 CO -0.59 -0.14 0.13 0.35 -1.00 0.00 0.00 179.01 177.76 3kno h PHE 43 N -0.22 0.15 0.00 4.33 3.04 0.11 0.59 116.94 124.95 3kno h PHE 43 Ca -0.02 0.06 0.00 0.00 3.98 0.00 0.00 57.97 61.99 3kno h PHE 43 Cb 0.17 0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.75 3kno h PHE 43 CO 0.19 -0.30 0.00 -3.47 -2.02 0.00 0.00 178.31 172.70 3kno n ASP 44 N -5.34 0.00 -0.38 0.41 -0.08 0.44 0.11 116.55 111.71 3kno n ASP 44 Ca 0.21 0.72 0.30 0.00 -1.51 0.00 0.00 54.79 54.51 3kno n ASP 44 Cb 0.69 -0.22 0.59 0.00 2.34 0.00 0.00 41.12 44.52 3kno n ASP 44 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 3kno h LYS 45 N 0.00 0.22 0.62 -0.67 2.10 -1.07 0.50 116.57 118.27 3kno h LYS 45 Ca 0.00 -0.01 -0.03 0.00 -2.00 0.00 0.00 60.65 58.61 3kno h LYS 45 Cb 0.00 -0.05 0.01 0.00 -0.90 0.00 0.00 32.23 31.29 3kno h LYS 45 CO 0.00 0.15 -0.30 0.28 -2.00 0.00 0.00 179.45 177.58 3kno h VAL 46 N 0.23 0.26 0.00 0.07 2.07 -0.66 -3.34 116.25 114.88 3kno h VAL 46 Ca 0.68 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.92 3kno h VAL 46 Cb 2.03 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 3kno h VAL 46 CO -0.31 0.03 0.00 0.33 0.02 0.00 0.00 177.57 177.64 3kno n PHE 47 N -5.38 0.00 0.00 1.57 -0.00 0.31 -2.95 117.46 111.02 3kno n PHE 47 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.33 3kno n PHE 47 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.84 3kno n PHE 47 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3kno n ARG 48 N -0.64 0.00 -0.20 -4.13 5.12 0.29 0.49 116.66 117.60 3kno n ARG 48 Ca 0.00 0.00 0.03 0.00 -1.93 0.00 0.00 57.85 55.95 3kno n ARG 48 Cb 0.00 0.00 0.29 0.00 -1.16 0.00 0.00 32.46 31.59 3kno n ARG 48 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 3kno h GLN 49 N 0.00 0.88 0.25 5.56 4.20 -1.71 -3.14 115.11 121.16 3kno h GLN 49 Ca 0.00 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 3kno h GLN 49 Cb 0.00 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.58 3kno h GLN 49 CO 0.00 0.58 -0.12 0.00 -0.67 0.00 0.00 178.83 178.62 3kno h ALA 50 N 1.57 -0.34 -0.45 3.87 0.00 1.16 -3.49 119.26 121.58 3kno h ALA 50 Ca 0.29 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3kno h ALA 50 Cb 0.02 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3kno h ALA 50 CO -0.08 -0.43 0.00 0.45 0.00 0.00 0.00 179.25 179.20 3kno n SER 51 N -5.03 0.00 -1.02 0.00 2.88 0.28 -3.68 113.62 107.04 3kno n SER 51 Ca -0.08 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.45 3kno n SER 51 Cb 0.26 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.71 3kno n SER 51 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3kno n ILE 52 N 0.00 0.00 0.50 2.46 -6.64 -1.26 -4.75 119.36 109.66 3kno n ILE 52 Ca 0.00 -0.39 0.05 0.00 -1.77 0.00 0.00 62.75 60.64 3kno n ILE 52 Cb 0.00 0.62 -0.06 0.00 -1.44 0.00 0.00 39.64 38.77 3kno n ILE 52 CO 0.00 0.00 0.00 1.41 -1.77 0.00 0.00 176.55 176.19 3kno n HIS 53 N 0.19 0.00 -3.67 4.28 8.25 -1.24 -4.71 115.22 118.32 3kno n HIS 53 Ca -0.05 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.16 3kno n HIS 53 Cb 0.85 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.79 3kno n HIS 53 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3kno s HIS 54 N -1.95 0.41 0.45 4.41 3.76 -1.25 -4.92 115.29 116.20 3kno s HIS 54 Ca 0.04 -0.32 -0.14 0.00 -0.15 0.00 0.00 55.06 54.49 3kno s HIS 54 Cb 0.08 -0.74 -0.12 0.00 1.11 0.00 0.00 32.58 32.91 3kno s HIS 54 CO 0.42 -0.46 -0.17 0.28 -0.85 0.00 0.00 174.74 173.96 3kno n VAL 55 N 5.22 0.00 -2.97 -0.90 0.31 -1.26 -4.60 118.33 114.13 3kno n VAL 55 Ca -0.07 -0.40 -0.11 0.00 -0.01 0.00 0.00 64.34 63.76 3kno n VAL 55 Cb 0.49 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.46 3kno n VAL 55 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3kno n ILE 56 N -1.30 0.00 -3.19 2.52 2.08 0.54 -3.81 119.36 116.20 3kno n ILE 56 Ca 0.05 -1.05 0.01 0.00 0.56 0.00 0.00 62.75 62.32 3kno n ILE 56 Cb 0.38 -0.77 -0.02 0.00 -0.75 0.00 0.00 39.64 38.49 3kno n ILE 56 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 3kno s VAL 57 N -1.04 -0.90 0.90 1.39 1.01 -1.24 -3.28 120.40 117.24 3kno s VAL 57 Ca 0.34 -0.06 -0.13 0.00 0.00 0.00 0.00 61.98 62.13 3kno s VAL 57 Cb -0.03 -0.99 0.18 0.00 0.00 0.00 0.00 36.38 35.54 3kno s VAL 57 CO 0.22 -0.06 1.25 -0.76 0.00 0.00 0.00 175.10 175.74 3kno s LEU 58 N 2.76 2.76 -0.36 3.92 1.43 0.11 -1.97 118.68 127.33 3kno s LEU 58 Ca 0.12 0.16 0.14 0.00 -1.03 0.00 0.00 54.13 53.52 3kno s LEU 58 Cb -0.12 -2.30 0.40 0.00 0.03 0.00 0.00 46.19 44.21 3kno s LEU 58 CO -0.25 -2.50 0.86 -0.62 0.23 0.00 0.00 176.35 174.06 3kno n GLU 59 N -3.54 1.31 -1.61 1.70 1.02 -1.22 -3.22 120.64 115.08 3kno n GLU 59 Ca 0.15 -3.47 -0.45 0.00 -0.02 0.00 0.00 57.16 53.36 3kno n GLU 59 Cb 0.60 -1.57 -0.02 0.00 -0.02 0.00 0.00 31.44 30.43 3kno n GLU 59 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3kno n LEU 60 N 0.06 2.03 -2.34 -4.62 7.99 -0.40 -4.48 117.00 115.25 3kno n LEU 60 Ca 0.19 1.17 0.00 0.00 -0.01 0.00 0.00 56.01 57.36 3kno n LEU 60 Cb 0.71 -1.31 0.00 0.00 -0.11 0.00 0.00 43.42 42.72 3kno n LEU 60 CO 0.25 -1.20 0.33 -2.65 -1.51 0.00 0.00 177.39 172.61 3kno n PRO 61 N 1.09 0.00 -0.78 3.23 -0.02 -1.26 -2.15 135.00 135.11 3kno n PRO 61 Ca 0.11 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.62 3kno n PRO 61 Cb 0.31 -1.49 0.06 0.00 -0.02 0.00 0.00 33.50 32.36 3kno n PRO 61 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3kno n ASP 62 N 2.64 0.94 0.00 2.55 8.00 -1.26 -4.86 116.55 124.56 3kno n ASP 62 Ca 0.00 -2.44 0.00 0.00 0.71 0.00 0.00 54.79 53.06 3kno n ASP 62 Cb 0.00 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.78 3kno n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kno n GLY 63 N -0.22 0.13 3.70 0.44 0.00 -1.10 -4.85 105.19 103.28 3kno n GLY 63 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3kno n GLY 63 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kno s GLN 64 N -1.25 4.29 -0.27 1.61 -1.52 -0.91 -4.96 119.66 116.64 3kno s GLN 64 Ca 0.00 2.08 0.01 0.00 -1.95 0.00 0.00 55.36 55.50 3kno s GLN 64 Cb 0.00 -3.42 0.08 0.00 -0.22 0.00 0.00 33.01 29.44 3kno s GLN 64 CO 0.00 -0.54 0.00 0.45 -0.25 0.00 0.00 175.29 174.95 3kno s SER 65 N 1.59 4.02 0.05 5.90 0.15 -1.26 -1.28 113.70 122.88 3kno s SER 65 Ca 0.66 -1.44 0.05 0.00 0.70 0.00 0.00 55.95 55.92 3kno s SER 65 Cb -0.35 -1.17 -0.04 0.00 -1.71 0.00 0.00 66.02 62.75 3kno s SER 65 CO 0.29 -0.30 -0.09 -0.76 1.20 0.00 0.00 173.24 173.58 3kno s LEU 66 N 1.37 3.06 0.02 3.45 1.43 -1.20 -4.88 118.68 121.93 3kno s LEU 66 Ca 0.01 -0.28 -0.20 0.00 -1.03 0.00 0.00 54.13 52.62 3kno s LEU 66 Cb -0.18 -1.81 -0.06 0.00 0.03 0.00 0.00 46.19 44.17 3kno s LEU 66 CO -0.10 0.23 0.60 -2.16 0.23 0.00 0.00 176.35 175.14 3kno s PRO 67 N -1.78 4.30 -0.03 1.29 0.04 -1.26 -0.71 135.00 136.85 3kno s PRO 67 Ca 0.19 0.75 -0.26 0.00 0.04 0.00 0.00 61.00 61.73 3kno s PRO 67 Cb -0.11 -3.31 0.06 0.00 0.04 0.00 0.00 34.50 31.17 3kno s PRO 67 CO 0.10 0.44 0.56 0.95 0.04 0.00 0.00 177.00 179.10 3kno s THR 68 N -0.45 0.02 -0.20 1.26 -4.23 -1.21 -1.44 115.64 109.39 3kno s THR 68 Ca 0.31 -0.16 -0.02 0.00 -1.18 0.00 0.00 61.69 60.64 3kno s THR 68 Cb -0.19 -0.89 0.06 0.00 1.34 0.00 0.00 72.50 72.82 3kno s THR 68 CO 0.18 -0.09 0.00 -0.76 -0.54 0.00 0.00 174.62 173.42 3kno s LEU 69 N -1.33 1.53 0.14 4.79 1.43 -0.90 0.20 118.68 124.54 3kno s LEU 69 Ca -0.11 -0.86 -0.33 0.00 -1.03 0.00 0.00 54.13 51.80 3kno s LEU 69 Cb -0.01 -0.76 -0.17 0.00 0.03 0.00 0.00 46.19 45.27 3kno s LEU 69 CO 0.07 -0.27 0.87 0.52 0.23 0.00 0.00 176.35 177.77 3kno n VAL 70 N 4.95 1.11 0.57 -1.59 0.31 -1.25 -3.07 118.33 119.36 3kno n VAL 70 Ca -0.10 -0.28 0.06 0.00 -0.01 0.00 0.00 64.34 64.01 3kno n VAL 70 Cb 0.47 -0.25 -0.04 0.00 -0.91 0.00 0.00 33.84 33.11 3kno n VAL 70 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3kno n ARG 71 N 1.32 2.55 0.00 5.55 5.12 0.14 -4.88 116.66 126.45 3kno n ARG 71 Ca 0.17 -0.29 0.00 0.00 -1.93 0.00 0.00 57.85 55.81 3kno n ARG 71 Cb 0.20 -1.11 0.00 0.00 -1.16 0.00 0.00 32.46 30.39 3kno n ARG 71 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kno n GLN 72 N -0.84 0.00 -4.14 5.56 10.64 -1.26 -5.01 117.38 122.33 3kno n GLN 72 Ca 0.04 0.00 -0.28 0.00 -1.83 0.00 0.00 57.00 54.92 3kno n GLN 72 Cb 0.22 0.00 -0.17 0.00 -0.86 0.00 0.00 30.24 29.44 3kno n GLN 72 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 3kno s VAL 73 N -0.77 1.33 -0.49 -0.39 1.01 -1.26 -2.55 120.40 117.27 3kno s VAL 73 Ca 0.00 -0.51 -0.12 0.00 0.00 0.00 0.00 61.98 61.36 3kno s VAL 73 Cb 0.00 -1.27 0.12 0.00 0.00 0.00 0.00 36.38 35.24 3kno s VAL 73 CO 0.00 0.41 0.40 0.20 0.00 0.00 0.00 175.10 176.11 3kno s ASN 74 N 1.36 5.87 0.67 3.32 -0.87 -1.10 -4.99 114.94 119.20 3kno s ASN 74 Ca 0.00 -1.86 -0.14 0.00 -1.57 0.00 0.00 52.86 49.29 3kno s ASN 74 Cb -0.13 -2.08 0.00 0.00 -0.02 0.00 0.00 41.25 39.02 3kno s ASN 74 CO -0.06 -0.75 1.09 -0.76 -2.57 0.00 0.00 177.10 174.05 3kno s LEU 75 N 1.44 3.33 -0.68 0.60 2.01 -1.26 -0.94 118.68 123.18 3kno s LEU 75 Ca 0.05 1.90 -0.27 0.00 0.01 0.00 0.00 54.13 55.81 3kno s LEU 75 Cb -0.27 -4.54 0.03 0.00 0.01 0.00 0.00 46.19 41.42 3kno s LEU 75 CO 0.01 -1.59 1.27 -0.62 1.01 0.00 0.00 176.35 176.43 3kno s ASP 76 N -2.87 6.23 0.05 2.29 2.15 0.45 -4.68 116.67 120.29 3kno s ASP 76 Ca 0.64 -0.25 -0.06 0.00 0.43 0.00 0.00 52.55 53.31 3kno s ASP 76 Cb -0.18 -2.56 0.02 0.00 -0.30 0.00 0.00 42.92 39.90 3kno s ASP 76 CO 0.44 -1.74 0.39 0.29 -0.17 0.00 0.00 175.17 174.38 3kno n LYS 77 N 9.08 -0.09 -2.88 4.34 4.76 -1.26 -2.90 118.16 129.21 3kno n LYS 77 Ca 0.05 0.39 -0.43 0.00 -2.87 0.00 0.00 58.31 55.45 3kno n LYS 77 Cb 0.49 -0.57 -0.03 0.00 -1.84 0.00 0.00 35.03 33.07 3kno n LYS 77 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 3kno s ARG 78 N -5.18 3.28 0.00 1.97 3.03 -1.26 -4.03 118.95 116.76 3kno s ARG 78 Ca -0.03 -1.15 0.00 0.00 2.03 0.00 0.00 55.73 56.58 3kno s ARG 78 Cb 0.04 -4.48 0.00 0.00 -1.03 0.00 0.00 34.95 29.47 3kno s ARG 78 CO 0.17 -1.81 0.00 0.54 -1.13 0.00 0.00 175.30 173.07 3kno n ARG 79 N 7.35 0.00 0.00 3.89 5.12 -1.21 -4.80 116.66 127.00 3kno n ARG 79 Ca 0.06 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 3kno n ARG 79 Cb 0.47 -0.31 0.00 0.00 -1.16 0.00 0.00 32.46 31.46 3kno n ARG 79 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 3kno n ARG 80 N -0.07 0.00 0.00 5.56 1.85 -1.14 -4.83 116.66 118.02 3kno n ARG 80 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3kno n ARG 80 Cb 0.06 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.47 3kno n ARG 80 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3kno n ARG 81 N 0.00 0.00 -2.36 2.89 1.74 -1.26 -3.47 116.66 114.20 3kno n ARG 81 Ca 0.00 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 3kno n ARG 81 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 3kno n ARG 81 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3kno s PRO 82 N 0.00 4.50 -0.07 5.56 0.04 -1.26 0.17 135.00 143.94 3kno s PRO 82 Ca 0.00 1.90 0.15 0.00 0.04 0.00 0.00 61.00 63.09 3kno s PRO 82 Cb 0.00 -3.22 -0.23 0.00 0.04 0.00 0.00 34.50 31.09 3kno s PRO 82 CO 0.00 -0.06 0.53 0.39 0.04 0.00 0.00 177.00 177.89 3kno n GLU 83 N 2.24 0.65 -3.64 4.56 1.02 -0.12 -4.74 120.64 120.62 3kno n GLU 83 Ca 0.03 0.20 -0.08 0.00 -0.02 0.00 0.00 57.16 57.30 3kno n GLU 83 Cb 0.44 -1.72 -0.07 0.00 -0.02 0.00 0.00 31.44 30.07 3kno n GLU 83 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3kno s HIS 84 N -2.63 -0.53 -0.10 -0.32 5.04 -1.20 -4.54 115.29 111.00 3kno s HIS 84 Ca -0.06 1.21 0.01 0.00 -1.54 0.00 0.00 55.06 54.68 3kno s HIS 84 Cb 0.08 0.37 -0.02 0.00 0.04 0.00 0.00 32.58 33.05 3kno s HIS 84 CO 0.83 -0.26 -0.14 0.08 -2.34 0.00 0.00 174.74 172.91 3kno s VAL 85 N 0.54 3.02 -0.36 0.89 1.01 -1.17 -2.72 120.40 121.61 3kno s VAL 85 Ca -0.00 -0.69 -0.13 0.00 0.00 0.00 0.00 61.98 61.15 3kno s VAL 85 Cb -0.05 -2.24 -0.00 0.00 0.00 0.00 0.00 36.38 34.10 3kno s VAL 85 CO -0.09 0.55 0.25 -1.81 0.00 0.00 0.00 175.10 174.00 3kno s ASP 86 N -0.03 5.99 -0.26 3.32 1.11 -1.06 -1.42 116.67 124.32 3kno s ASP 86 Ca -0.03 -0.63 -0.15 0.00 0.18 0.00 0.00 52.55 51.91 3kno s ASP 86 Cb -0.14 -2.12 -0.04 0.00 1.07 0.00 0.00 42.92 41.69 3kno s ASP 86 CO 0.04 -0.31 0.36 -0.36 1.18 0.00 0.00 175.17 176.08 3kno s PHE 87 N 1.68 3.27 -0.62 4.23 0.40 0.34 0.23 117.98 127.50 3kno s PHE 87 Ca 0.05 0.43 -0.19 0.00 -0.60 0.00 0.00 56.93 56.62 3kno s PHE 87 Cb -0.18 -2.55 0.11 0.00 0.51 0.00 0.00 43.02 40.91 3kno s PHE 87 CO 0.10 -0.18 0.73 0.12 0.70 0.00 0.00 175.22 176.68 3kno s PHE 88 N 1.91 3.05 -0.51 0.36 5.99 -1.18 -1.56 117.98 126.05 3kno s PHE 88 Ca 0.15 -1.06 -0.27 0.00 0.00 0.00 0.00 56.93 55.76 3kno s PHE 88 Cb -0.16 -4.02 -0.03 0.00 0.00 0.00 0.00 43.02 38.82 3kno s PHE 88 CO 0.09 -1.28 1.98 0.08 -0.00 0.00 0.00 175.22 176.09 3kno s VAL 89 N 2.51 3.29 0.39 3.12 1.01 -1.23 -2.13 120.40 127.37 3kno s VAL 89 Ca 0.13 0.22 -0.25 0.00 0.00 0.00 0.00 61.98 62.07 3kno s VAL 89 Cb -0.22 -3.64 -0.11 0.00 0.00 0.00 0.00 36.38 32.40 3kno s VAL 89 CO 0.04 -0.57 1.03 0.18 0.00 0.00 0.00 175.10 175.78 3kno n LEU 90 N 12.85 2.50 0.00 3.92 4.32 -0.52 -4.72 117.00 135.35 3kno n LEU 90 Ca 0.25 1.08 0.00 0.00 -0.02 0.00 0.00 56.01 57.32 3kno n LEU 90 Cb 0.51 -1.35 0.00 0.00 -1.62 0.00 0.00 43.42 40.96 3kno n LEU 90 CO 0.70 -1.38 0.00 -0.24 -1.22 0.00 0.00 177.39 175.25 3kno n SER 91 N 0.69 0.00 0.00 -1.43 2.88 -1.26 -4.87 113.62 109.63 3kno n SER 91 Ca 0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 3kno n SER 91 Cb 0.37 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 3kno n SER 91 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3kno n ASP 92 N 0.00 0.01 -4.66 -3.46 5.68 -1.26 -4.77 116.55 108.09 3kno n ASP 92 Ca 0.00 -0.11 -0.42 0.00 -0.50 0.00 0.00 54.79 53.76 3kno n ASP 92 Cb 0.00 0.08 -0.03 0.00 -1.14 0.00 0.00 41.12 40.04 3kno n ASP 92 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 3kno s GLU 93 N -0.08 4.19 -1.02 0.11 0.41 -1.26 -4.38 118.70 116.67 3kno s GLU 93 Ca 0.00 2.11 -0.26 0.00 -0.41 0.00 0.00 54.97 56.40 3kno s GLU 93 Cb 0.00 -3.92 -0.22 0.00 -1.78 0.00 0.00 34.13 28.21 3kno s GLU 93 CO 0.00 -0.81 2.16 -2.30 -0.49 0.00 0.00 175.26 173.83 3kno n PRO 94 N 6.91 0.17 -1.87 0.39 -0.02 -1.26 -4.35 135.00 134.97 3kno n PRO 94 Ca 0.16 -1.53 -0.30 0.00 -2.02 0.00 0.00 63.50 59.82 3kno n PRO 94 Cb 0.43 -3.88 0.18 0.00 -0.02 0.00 0.00 33.50 30.21 3kno n PRO 94 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kno s VAL 95 N 16.87 1.98 0.44 -1.45 1.01 -1.12 -4.41 120.40 133.71 3kno s VAL 95 Ca 0.83 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.82 3kno s VAL 95 Cb -0.07 -2.97 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 3kno s VAL 95 CO 0.17 0.00 0.66 -1.61 0.00 0.00 0.00 175.10 174.32 3kno s GLU 96 N -5.82 3.12 0.00 2.72 2.02 -1.26 -2.95 118.70 116.53 3kno s GLU 96 Ca 0.72 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 55.25 3kno s GLU 96 Cb -0.05 -2.57 0.00 0.00 0.10 0.00 0.00 34.13 31.61 3kno s GLU 96 CO 0.53 -0.22 0.00 0.00 0.02 0.00 0.00 175.26 175.59 3kno n MET 97 N -2.05 0.00 -2.22 1.61 0.00 -1.25 -4.99 117.12 108.22 3kno n MET 97 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.39 3kno n MET 97 Cb 0.57 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.78 3kno n MET 97 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 3kno s TYR 98 N -0.61 3.52 -0.12 3.17 4.12 -1.26 -2.69 117.35 123.48 3kno s TYR 98 Ca 0.00 1.39 -0.14 0.00 0.02 0.00 0.00 57.07 58.33 3kno s TYR 98 Cb 0.00 -2.75 0.04 0.00 -1.52 0.00 0.00 41.96 37.72 3kno s TYR 98 CO 0.00 -0.48 0.38 0.08 0.02 0.00 0.00 175.55 175.56 3kno s VAL 99 N -2.82 0.01 1.06 0.71 1.01 -0.96 -4.58 120.40 114.84 3kno s VAL 99 Ca 0.57 -0.09 -0.19 0.00 0.00 0.00 0.00 61.98 62.27 3kno s VAL 99 Cb -0.10 -0.57 0.02 0.00 0.00 0.00 0.00 36.38 35.73 3kno s VAL 99 CO 0.40 -0.05 -0.27 -2.65 0.00 0.00 0.00 175.10 172.53 3kno n PRO 100 N 2.52 -1.00 0.00 2.72 -0.02 -1.25 -2.81 135.00 135.16 3kno n PRO 100 Ca -0.15 -0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.06 3kno n PRO 100 Cb 0.57 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 3kno n PRO 100 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3kno n LEU 101 N -0.34 0.00 0.00 2.45 4.32 -1.25 -3.23 117.00 118.95 3kno n LEU 101 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.00 3kno n LEU 101 Cb 0.63 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.43 3kno n LEU 101 CO 0.50 0.00 0.00 0.54 -1.22 0.00 0.00 177.39 177.21 3kno n ARG 102 N 0.00 0.00 -4.22 3.23 1.74 -1.25 -2.15 116.66 114.01 3kno n ARG 102 Ca 0.00 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.91 3kno n ARG 102 Cb 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.33 3kno n ARG 102 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3kno s PHE 103 N -1.92 1.31 -0.83 -1.55 0.08 -1.26 -1.86 117.98 111.95 3kno s PHE 103 Ca 0.00 -0.57 -0.07 0.00 0.12 0.00 0.00 56.93 56.41 3kno s PHE 103 Cb 0.00 -0.69 0.21 0.00 -0.57 0.00 0.00 43.02 41.97 3kno s PHE 103 CO 0.00 0.11 0.73 0.54 -0.10 0.00 0.00 175.22 176.50 3kno s VAL 104 N -2.13 4.81 0.00 -0.44 0.11 -1.26 -4.97 120.40 116.52 3kno s VAL 104 Ca 0.07 -3.12 0.00 0.00 -2.93 0.00 0.00 61.98 56.00 3kno s VAL 104 Cb -0.05 -3.99 0.00 0.00 -1.53 0.00 0.00 36.38 30.81 3kno s VAL 104 CO 0.02 -1.03 0.00 0.61 -3.33 0.00 0.00 175.10 171.38 3kno n GLY 105 N 3.21 0.25 3.27 6.54 0.00 -1.26 -4.76 105.19 112.43 3kno n GLY 105 Ca 0.16 -1.55 -0.14 0.00 0.00 0.00 0.00 46.02 44.49 3kno n GLY 105 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kno s THR 106 N -1.96 0.05 0.69 2.61 -4.23 -1.26 -5.13 115.64 106.41 3kno s THR 106 Ca 0.00 -0.43 -0.17 0.00 -1.18 0.00 0.00 61.69 59.91 3kno s THR 106 Cb 0.00 -0.66 0.02 0.00 1.34 0.00 0.00 72.50 73.19 3kno s THR 106 CO 0.00 -0.24 1.25 -2.16 -0.54 0.00 0.00 174.62 172.94 3kno s PRO 107 N -1.36 2.31 0.00 3.99 0.04 -1.26 -4.78 135.00 133.94 3kno s PRO 107 Ca -0.13 1.93 0.00 0.00 0.04 0.00 0.00 61.00 62.84 3kno s PRO 107 Cb -0.05 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.66 3kno s PRO 107 CO 0.05 -1.75 0.03 0.00 0.04 0.00 0.00 177.00 175.37 3kno n ALA 108 N -2.32 1.26 -3.37 8.56 0.00 -0.23 -4.29 120.51 120.11 3kno n ALA 108 Ca 0.15 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 53.14 3kno n ALA 108 Cb 0.49 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.92 3kno n ALA 108 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kno s GLY 109 N -0.14 2.97 -0.34 0.00 0.00 -1.26 -4.66 107.32 103.89 3kno s GLY 109 Ca 0.00 -3.62 0.09 0.00 0.00 0.00 0.00 44.72 41.20 3kno s GLY 109 CO 0.00 1.28 1.34 1.55 0.00 0.00 0.00 173.10 177.28 3kno n VAL 110 N 3.21 0.00 0.00 1.40 3.14 -1.26 -4.52 118.33 120.30 3kno n VAL 110 Ca 0.19 -1.12 0.00 0.00 -2.96 0.00 0.00 64.34 60.45 3kno n VAL 110 Cb 0.42 0.92 0.00 0.00 -1.06 0.00 0.00 33.84 34.12 3kno n VAL 110 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 3kno n ARG 111 N -0.92 0.00 -2.74 1.45 0.63 -1.26 -5.02 116.66 108.80 3kno n ARG 111 Ca -0.11 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.80 3kno n ARG 111 Cb 0.82 0.00 0.09 0.00 0.45 0.00 0.00 32.46 33.81 3kno n ARG 111 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kno n ALA 112 N -0.01 2.67 -0.50 5.13 0.00 -1.26 -5.10 120.51 121.43 3kno n ALA 112 Ca 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 53.44 51.51 3kno n ALA 112 Cb 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3kno n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kno n GLY 113 N -0.95 -1.93 0.00 0.00 0.00 -1.26 -4.80 105.19 96.25 3kno n GLY 113 Ca -0.04 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.16 3kno n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kno n GLY 114 N 0.93 3.08 2.91 -0.02 0.00 -0.87 -4.53 105.19 106.67 3kno n GLY 114 Ca 0.00 0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 3kno n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kno s VAL 115 N 0.00 -0.21 0.97 1.61 1.01 -1.21 -4.27 120.40 118.29 3kno s VAL 115 Ca 0.00 0.28 -0.11 0.00 0.00 0.00 0.00 61.98 62.15 3kno s VAL 115 Cb 0.00 -0.31 0.15 0.00 0.00 0.00 0.00 36.38 36.22 3kno s VAL 115 CO 0.00 0.12 0.96 -0.11 0.00 0.00 0.00 175.10 176.07 3kno n LEU 116 N 4.95 1.81 -4.27 3.92 7.94 -1.26 -3.29 117.00 126.79 3kno n LEU 116 Ca -0.12 0.30 -0.15 0.00 -1.11 0.00 0.00 56.01 54.93 3kno n LEU 116 Cb 0.51 -1.38 -0.10 0.00 0.53 0.00 0.00 43.42 42.97 3kno n LEU 116 CO 0.08 -2.62 -0.37 -1.58 -1.11 0.00 0.00 177.39 171.80 3kno s GLN 117 N -4.39 1.16 -0.60 1.96 0.74 -1.26 -4.87 119.66 112.40 3kno s GLN 117 Ca 0.65 -1.54 0.05 0.00 0.05 0.00 0.00 55.36 54.57 3kno s GLN 117 Cb -0.23 -0.54 0.31 0.00 1.10 0.00 0.00 33.01 33.65 3kno s GLN 117 CO 0.61 -0.03 0.87 -0.85 -0.55 0.00 0.00 175.29 175.34 3kno n GLU 118 N -0.28 2.96 -1.81 1.67 0.00 -1.26 -4.22 120.64 117.71 3kno n GLU 118 Ca -0.08 -4.79 -0.42 0.00 0.00 0.00 0.00 57.16 51.87 3kno n GLU 118 Cb 0.62 -2.24 0.00 0.00 0.00 0.00 0.00 31.44 29.82 3kno n GLU 118 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 3kno n ILE 119 N 0.17 3.55 -0.24 3.84 5.41 -0.50 -4.27 119.36 127.33 3kno n ILE 119 Ca 0.31 -3.17 0.00 0.00 1.00 0.00 0.00 62.75 60.88 3kno n ILE 119 Cb 0.40 -2.58 0.00 0.00 -0.71 0.00 0.00 39.64 36.75 3kno n ILE 119 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 3kno n HIS 120 N 5.89 0.00 -0.70 1.39 8.25 -1.26 -2.33 115.22 126.47 3kno n HIS 120 Ca 0.51 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.89 3kno n HIS 120 Cb 0.39 -0.24 0.01 0.00 1.12 0.00 0.00 29.99 31.27 3kno n HIS 120 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3kno n ARG 121 N -0.13 1.39 -3.31 -0.41 3.00 -1.26 -4.59 116.66 111.34 3kno n ARG 121 Ca 0.00 -0.73 0.03 0.00 -0.01 0.00 0.00 57.85 57.14 3kno n ARG 121 Cb 0.05 -1.30 -0.04 0.00 0.00 0.00 0.00 32.46 31.17 3kno n ARG 121 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 3kno s ASP 122 N 1.20 -0.25 -0.02 0.55 1.47 -1.26 -3.86 116.67 114.49 3kno s ASP 122 Ca 0.16 0.35 0.07 0.00 1.18 0.00 0.00 52.55 54.31 3kno s ASP 122 Cb 0.12 1.27 -0.02 0.00 -0.34 0.00 0.00 42.92 43.95 3kno s ASP 122 CO -0.01 -0.05 -0.23 -0.51 0.68 0.00 0.00 175.17 175.05 3kno s ILE 123 N 2.07 1.82 0.65 2.11 2.07 -1.12 -4.70 121.20 124.10 3kno s ILE 123 Ca -0.02 -0.98 -0.15 0.00 -1.41 0.00 0.00 60.65 58.09 3kno s ILE 123 Cb -0.03 -1.52 -0.00 0.00 0.13 0.00 0.00 42.46 41.05 3kno s ILE 123 CO -0.16 0.51 1.11 -0.22 -1.91 0.00 0.00 174.94 174.27 3kno s LEU 124 N -0.48 3.40 0.00 8.50 2.96 -1.26 -2.26 118.68 129.53 3kno s LEU 124 Ca 0.07 1.99 0.00 0.00 -0.22 0.00 0.00 54.13 55.98 3kno s LEU 124 Cb -0.09 -4.55 -0.00 0.00 0.50 0.00 0.00 46.19 42.05 3kno s LEU 124 CO -0.00 -1.61 0.06 1.33 -1.32 0.00 0.00 176.35 174.81 3kno n VAL 125 N -2.39 0.00 -3.73 1.68 0.24 -1.09 -3.09 118.33 109.95 3kno n VAL 125 Ca 0.10 -0.29 -0.29 0.00 -2.04 0.00 0.00 64.34 61.83 3kno n VAL 125 Cb 0.52 0.17 -0.12 0.00 -1.47 0.00 0.00 33.84 32.94 3kno n VAL 125 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3kno s LYS 126 N -2.14 1.66 0.05 7.34 2.20 -1.16 -3.88 119.74 123.82 3kno s LYS 126 Ca 0.05 -2.53 0.07 0.00 -0.36 0.00 0.00 55.97 53.21 3kno s LYS 126 Cb -0.00 -2.59 -0.03 0.00 -1.51 0.00 0.00 37.83 33.70 3kno s LYS 126 CO 0.03 -1.24 -0.21 0.54 -0.36 0.00 0.00 175.35 174.11 3kno s VAL 127 N -0.36 1.68 0.65 4.02 0.11 -1.15 -3.92 120.40 121.43 3kno s VAL 127 Ca 0.23 -1.26 -0.12 0.00 -2.93 0.00 0.00 61.98 57.89 3kno s VAL 127 Cb -0.12 -1.47 -0.01 0.00 -1.53 0.00 0.00 36.38 33.24 3kno s VAL 127 CO -0.09 0.16 1.05 -0.55 -3.33 0.00 0.00 175.10 172.33 3kno s SER 128 N -1.32 5.65 0.00 3.54 0.15 -1.26 -2.78 113.70 117.68 3kno s SER 128 Ca 0.07 1.63 0.00 0.00 0.70 0.00 0.00 55.95 58.36 3kno s SER 128 Cb -0.09 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 3kno s SER 128 CO 0.02 -1.26 0.20 -2.65 1.20 0.00 0.00 173.24 170.75 3kno n PRO 129 N -2.74 0.00 0.00 5.44 -0.02 -1.26 -2.79 135.00 133.62 3kno n PRO 129 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 3kno n PRO 129 Cb 0.53 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 3kno n PRO 129 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3kno n ARG 130 N -0.65 0.00 -1.54 -0.52 3.00 -1.26 -4.90 116.66 110.79 3kno n ARG 130 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 57.85 57.45 3kno n ARG 130 Cb 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 32.46 32.40 3kno n ARG 130 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 3kno n ASN 131 N -1.35 2.21 -3.28 0.55 3.02 -1.12 -4.87 115.26 110.43 3kno n ASN 131 Ca 0.00 -0.28 -0.26 0.00 -0.03 0.00 0.00 54.58 54.01 3kno n ASN 131 Cb 0.00 -1.49 -0.07 0.00 -0.61 0.00 0.00 39.78 37.61 3kno n ASN 131 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3kno n ILE 132 N 7.87 1.76 -1.08 2.41 5.41 -1.26 -4.57 119.36 129.89 3kno n ILE 132 Ca 0.40 -5.02 -0.35 0.00 1.00 0.00 0.00 62.75 58.77 3kno n ILE 132 Cb 0.46 -1.84 0.02 0.00 -0.71 0.00 0.00 39.64 37.57 3kno n ILE 132 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3kno n PRO 133 N 0.72 0.00 -0.10 0.38 -0.02 -1.26 -4.99 135.00 129.73 3kno n PRO 133 Ca 0.28 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.63 3kno n PRO 133 Cb 0.44 -0.93 -0.05 0.00 -0.02 0.00 0.00 33.50 32.94 3kno n PRO 133 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3kno n GLU 134 N 1.70 0.52 -3.75 -0.52 2.13 -1.26 -4.93 120.64 114.53 3kno n GLU 134 Ca 0.04 0.37 -0.13 0.00 0.66 0.00 0.00 57.16 58.10 3kno n GLU 134 Cb 0.46 -1.57 -0.09 0.00 0.27 0.00 0.00 31.44 30.52 3kno n GLU 134 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 3kno s PHE 135 N -2.55 -0.23 -0.34 4.31 -0.12 -1.26 -4.40 117.98 113.39 3kno s PHE 135 Ca -0.26 0.40 0.02 0.00 -0.05 0.00 0.00 56.93 57.04 3kno s PHE 135 Cb 0.06 0.11 0.10 0.00 -0.63 0.00 0.00 43.02 42.66 3kno s PHE 135 CO 0.40 -0.36 0.08 0.42 -0.05 0.00 0.00 175.22 175.71 3kno s ILE 136 N -1.07 1.77 0.83 -4.49 1.01 -0.91 -4.96 121.20 113.37 3kno s ILE 136 Ca -0.11 -2.06 -0.12 0.00 0.00 0.00 0.00 60.65 58.36 3kno s ILE 136 Cb -0.05 -2.31 0.09 0.00 0.01 0.00 0.00 42.46 40.20 3kno s ILE 136 CO 0.04 -0.65 1.11 -1.83 0.00 0.00 0.00 174.94 173.62 3kno s GLU 137 N 1.09 1.81 0.00 2.79 -1.05 -1.23 -3.83 118.70 118.28 3kno s GLU 137 Ca 0.11 0.48 0.00 0.00 -0.15 0.00 0.00 54.97 55.41 3kno s GLU 137 Cb -0.19 -1.90 0.00 0.00 -0.44 0.00 0.00 34.13 31.60 3kno s GLU 137 CO -0.13 -1.77 0.00 0.28 0.95 0.00 0.00 175.26 174.58 3kno n VAL 138 N -3.51 0.00 -2.68 1.83 0.31 -0.78 -4.54 118.33 108.97 3kno n VAL 138 Ca 0.07 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.35 3kno n VAL 138 Cb 0.58 0.00 0.09 0.00 -0.91 0.00 0.00 33.84 33.60 3kno n VAL 138 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3kno n ASP 139 N 0.00 -1.60 -4.39 4.52 3.85 -1.26 -4.27 116.55 113.39 3kno n ASP 139 Ca 0.00 -2.21 -0.53 0.00 -0.71 0.00 0.00 54.79 51.35 3kno n ASP 139 Cb 0.00 0.91 -0.09 0.00 -1.35 0.00 0.00 41.12 40.59 3kno n ASP 139 CO 0.00 0.00 0.00 0.55 -1.01 0.00 0.00 177.20 176.74 3kno n VAL 140 N -0.74 0.13 -3.73 2.12 3.14 -1.26 -4.87 118.33 113.11 3kno n VAL 140 Ca -0.10 -0.19 -0.30 0.00 -2.96 0.00 0.00 64.34 60.79 3kno n VAL 140 Cb 0.80 -1.32 -0.14 0.00 -1.06 0.00 0.00 33.84 32.13 3kno n VAL 140 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 3kno s SER 141 N 7.05 3.80 0.00 6.55 1.04 -1.26 -4.77 113.70 126.11 3kno s SER 141 Ca 1.13 -2.32 0.00 0.00 0.48 0.00 0.00 55.95 55.23 3kno s SER 141 Cb -1.03 -1.01 0.00 0.00 0.10 0.00 0.00 66.02 64.08 3kno s SER 141 CO 0.53 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 175.05 3kno n GLY 142 N 3.95 2.07 3.68 7.32 0.00 -1.26 -5.08 105.19 115.87 3kno n GLY 142 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3kno n GLY 142 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kno s LEU 143 N 0.00 4.32 0.00 0.99 2.01 -1.26 -4.76 118.68 119.98 3kno s LEU 143 Ca 0.00 2.16 0.00 0.00 0.01 0.00 0.00 54.13 56.30 3kno s LEU 143 Cb 0.00 -3.56 0.00 0.00 0.01 0.00 0.00 46.19 42.64 3kno s LEU 143 CO 0.00 -0.77 0.00 1.21 1.01 0.00 0.00 176.35 177.80 3kno n GLU 144 N 5.71 0.00 -3.11 1.70 0.00 -1.26 -1.07 120.64 122.61 3kno n GLU 144 Ca 0.14 0.00 -0.45 0.00 0.00 0.00 0.00 57.16 56.85 3kno n GLU 144 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 31.86 3kno n GLU 144 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.13 178.09 3kno s ILE 145 N 1.17 5.36 0.00 6.31 -4.36 -1.26 -4.54 121.20 123.87 3kno s ILE 145 Ca 0.00 -2.70 0.00 0.00 -0.26 0.00 0.00 60.65 57.69 3kno s ILE 145 Cb 0.00 -4.75 0.00 0.00 1.25 0.00 0.00 42.46 38.96 3kno s ILE 145 CO 0.00 -1.40 0.00 0.61 0.24 0.00 0.00 174.94 174.39 3kno n GLY 146 N 3.87 -1.02 3.62 6.27 0.00 -1.26 -5.07 105.19 111.61 3kno n GLY 146 Ca 0.28 0.37 -0.44 0.00 0.00 0.00 0.00 46.02 46.23 3kno n GLY 146 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kno n ASP 147 N 0.00 3.48 -3.67 1.61 8.00 -1.26 -4.86 116.55 119.85 3kno n ASP 147 Ca 0.00 0.54 -0.10 0.00 0.71 0.00 0.00 54.79 55.93 3kno n ASP 147 Cb 0.00 -1.50 -0.09 0.00 -0.02 0.00 0.00 41.12 39.52 3kno n ASP 147 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3kno s SER 148 N 6.49 -0.71 0.00 -2.24 1.04 -1.26 -4.62 113.70 112.41 3kno s SER 148 Ca 0.97 1.23 0.00 0.00 0.48 0.00 0.00 55.95 58.62 3kno s SER 148 Cb -0.46 1.15 0.00 0.00 0.10 0.00 0.00 66.02 66.82 3kno s SER 148 CO 0.41 -0.21 0.00 0.00 0.98 0.00 0.00 173.24 174.41 3kno n LEU 149 N 3.72 0.00 0.00 2.42 -0.00 -1.26 -4.89 117.00 117.00 3kno n LEU 149 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.82 3kno n LEU 149 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.99 3kno n LEU 149 CO 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.43 3kno n HIS 150 N 0.00 0.00 -0.50 1.47 1.44 -1.26 -3.46 115.22 112.91 3kno n HIS 150 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 3kno n HIS 150 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 3kno n HIS 150 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3kno n ALA 151 N -3.00 0.00 -1.45 1.59 0.00 -1.21 -4.40 120.51 112.03 3kno n ALA 151 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3kno n ALA 151 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 3kno n ALA 151 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kno n SER 152 N -1.68 0.60 -0.13 0.00 2.88 -1.26 -4.54 113.62 109.48 3kno n SER 152 Ca 0.00 -2.24 0.05 0.00 -1.33 0.00 0.00 58.87 55.34 3kno n SER 152 Cb 0.00 -1.49 0.06 0.00 -0.75 0.00 0.00 64.21 62.03 3kno n SER 152 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3kno n ASP 153 N 16.73 1.55 -5.00 -3.46 8.00 -1.26 -5.09 116.55 128.02 3kno n ASP 153 Ca 0.32 -2.39 -0.18 0.00 0.71 0.00 0.00 54.79 53.25 3kno n ASP 153 Cb 0.48 -0.24 0.02 0.00 -0.02 0.00 0.00 41.12 41.36 3kno n ASP 153 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3kno s LEU 154 N -1.55 3.51 -0.43 0.64 1.43 -1.26 -5.07 118.68 115.95 3kno s LEU 154 Ca 0.15 -0.41 -0.18 0.00 -1.03 0.00 0.00 54.13 52.65 3kno s LEU 154 Cb 0.13 -2.54 0.02 0.00 0.03 0.00 0.00 46.19 43.83 3kno s LEU 154 CO 0.01 -0.92 0.49 -0.75 0.23 0.00 0.00 176.35 175.41 3kno s LYS 155 N -4.48 3.13 -0.58 1.70 2.20 -1.26 -5.04 119.74 115.42 3kno s LYS 155 Ca 0.57 -0.69 -0.28 0.00 -0.36 0.00 0.00 55.97 55.21 3kno s LYS 155 Cb -0.09 -3.97 0.03 0.00 -1.51 0.00 0.00 37.83 32.28 3kno s LYS 155 CO 0.35 -0.91 1.18 -0.51 -0.36 0.00 0.00 175.35 175.10 3kno s LEU 156 N 2.30 3.49 1.23 5.43 1.02 -1.26 -4.87 118.68 126.02 3kno s LEU 156 Ca 0.14 0.10 -0.18 0.00 0.02 0.00 0.00 54.13 54.22 3kno s LEU 156 Cb -0.17 -3.17 0.25 0.00 0.02 0.00 0.00 46.19 43.13 3kno s LEU 156 CO 0.15 -1.46 0.59 -0.81 0.02 0.00 0.00 176.35 174.84 3kno n PRO 157 N 8.38 -2.94 -1.52 1.29 -0.04 -1.26 -4.63 135.00 134.28 3kno n PRO 157 Ca 0.08 -0.85 -0.60 0.00 -0.04 0.00 0.00 63.50 62.09 3kno n PRO 157 Cb 0.49 -1.86 -0.09 0.00 -0.04 0.00 0.00 33.50 32.00 3kno n PRO 157 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3kno n PRO 158 N -3.93 0.00 -2.97 0.54 -0.02 -1.26 -0.67 135.00 126.69 3kno n PRO 158 Ca 0.05 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.35 3kno n PRO 158 Cb 0.55 -1.34 -0.00 0.00 -0.02 0.00 0.00 33.50 32.68 3kno n PRO 158 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kno n GLY 159 N 3.82 -0.49 3.36 -1.23 0.00 -1.26 -4.87 105.19 104.52 3kno n GLY 159 Ca 0.29 0.05 -0.36 0.00 0.00 0.00 0.00 46.02 46.01 3kno n GLY 159 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kno s VAL 160 N -2.77 3.83 0.00 1.61 1.01 0.16 -4.64 120.40 119.59 3kno s VAL 160 Ca 0.23 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.75 3kno s VAL 160 Cb -0.12 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.43 3kno s VAL 160 CO 0.28 0.30 0.00 1.21 0.00 0.00 0.00 175.10 176.89 3kno n GLU 161 N 4.85 1.98 -0.42 2.72 2.13 -1.25 -4.51 120.64 126.14 3kno n GLU 161 Ca -0.16 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.66 3kno n GLU 161 Cb 0.50 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.21 3kno n GLU 161 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3kno n LEU 162 N 0.00 0.00 -2.06 4.31 4.32 -1.26 -4.08 117.00 118.22 3kno n LEU 162 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 56.01 55.97 3kno n LEU 162 Cb 0.00 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 41.81 3kno n LEU 162 CO 0.00 -0.06 0.43 0.00 -1.22 0.00 0.00 177.39 176.55 3kno n ALA 163 N -3.00 -1.62 -2.77 -1.18 0.00 -1.18 -2.97 120.51 107.79 3kno n ALA 163 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3kno n ALA 163 Cb 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 18.72 3kno n ALA 163 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kno n VAL 164 N -0.36 0.00 0.00 0.00 0.31 -1.26 -4.81 118.33 112.22 3kno n VAL 164 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 3kno n VAL 164 Cb 0.60 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.53 3kno n VAL 164 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3kno n SER 165 N 0.00 0.00 -4.76 4.52 7.64 -1.26 -4.98 113.62 114.77 3kno n SER 165 Ca 0.00 0.59 -0.39 0.00 1.01 0.00 0.00 58.87 60.08 3kno n SER 165 Cb 0.00 -0.25 -0.05 0.00 -1.01 0.00 0.00 64.21 62.90 3kno n SER 165 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3kno s PRO 166 N -1.52 4.63 0.00 1.43 0.02 -1.26 -5.09 135.00 133.20 3kno s PRO 166 Ca 0.00 1.58 0.00 0.00 0.02 0.00 0.00 61.00 62.60 3kno s PRO 166 Cb 0.00 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.47 3kno s PRO 166 CO 0.00 0.27 0.00 -1.91 -0.33 0.00 0.00 177.00 175.03 3kno n GLU 167 N 0.98 0.00 -0.26 5.54 2.13 -1.26 -4.79 120.64 122.99 3kno n GLU 167 Ca 0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 3kno n GLU 167 Cb 0.47 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.18 3kno n GLU 167 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 3kno n GLU 168 N -0.75 0.00 -2.97 5.31 4.07 -1.26 -3.61 120.64 121.43 3kno n GLU 168 Ca 0.00 0.00 -0.20 0.00 -0.06 0.00 0.00 57.16 56.90 3kno n GLU 168 Cb 0.00 -0.21 0.07 0.00 -0.06 0.00 0.00 31.44 31.24 3kno n GLU 168 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 3kno s THR 169 N -0.38 2.14 0.00 6.31 2.01 -1.26 -3.35 115.64 121.11 3kno s THR 169 Ca 0.12 -0.94 0.00 0.00 0.31 0.00 0.00 61.69 61.17 3kno s THR 169 Cb -0.11 -2.20 0.00 0.00 0.01 0.00 0.00 72.50 70.20 3kno s THR 169 CO 0.13 0.00 0.00 2.30 -0.69 0.00 0.00 174.62 176.36 3kno n ILE 170 N -2.33 0.00 0.00 1.82 -5.35 -0.98 -4.63 119.36 107.89 3kno n ILE 170 Ca 0.16 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.64 3kno n ILE 170 Cb 0.61 0.02 0.00 0.00 -1.74 0.00 0.00 39.64 38.53 3kno n ILE 170 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kno n ALA 171 N 0.00 0.00 -3.15 -1.28 0.00 -1.26 -1.41 120.51 113.41 3kno n ALA 171 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 3kno n ALA 171 Cb 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.55 3kno n ALA 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kno s ALA 172 N -2.00 -2.69 1.11 0.00 0.00 -1.26 -4.53 121.76 112.40 3kno s ALA 172 Ca 0.00 1.70 -0.16 0.00 0.00 0.00 0.00 51.96 53.50 3kno s ALA 172 Cb 0.00 -2.29 0.21 0.00 0.00 0.00 0.00 23.12 21.04 3kno s ALA 172 CO 0.00 -1.37 0.42 0.28 0.00 0.00 0.00 175.76 175.09 3kno n VAL 173 N 5.45 0.00 -3.65 0.00 0.31 -1.26 -4.22 118.33 114.95 3kno n VAL 173 Ca -0.03 -0.06 -0.08 0.00 -0.01 0.00 0.00 64.34 64.16 3kno n VAL 173 Cb 0.52 -0.61 -0.08 0.00 -0.91 0.00 0.00 33.84 32.76 3kno n VAL 173 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3kno s VAL 174 N -2.10 -0.06 1.28 2.52 -7.23 -1.21 -4.80 120.40 108.80 3kno s VAL 174 Ca 0.44 0.02 -0.21 0.00 -1.81 0.00 0.00 61.98 60.43 3kno s VAL 174 Cb -0.08 -0.91 0.32 0.00 0.56 0.00 0.00 36.38 36.27 3kno s VAL 174 CO 0.41 0.01 0.73 -2.65 -0.31 0.00 0.00 175.10 173.29 3kno n PRO 175 N 4.37 -4.22 -0.52 4.82 -0.02 -1.26 -2.05 135.00 136.12 3kno n PRO 175 Ca -0.20 -1.23 -0.29 0.00 -2.02 0.00 0.00 63.50 59.76 3kno n PRO 175 Cb 0.58 -1.66 0.24 0.00 -0.02 0.00 0.00 33.50 32.63 3kno n PRO 175 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3kno n PRO 176 N -4.94 -2.23 0.00 0.52 -0.04 -1.26 -4.59 135.00 122.45 3kno n PRO 176 Ca 0.12 -0.62 0.00 0.00 -0.04 0.00 0.00 63.50 62.95 3kno n PRO 176 Cb 0.51 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 3kno n PRO 176 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3kno n GLU 177 N -4.37 0.00 0.00 0.54 1.02 -1.26 -5.09 120.64 111.48 3kno n GLU 177 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 3kno n GLU 177 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.97 3kno n GLU 177 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84