#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kku s PRO 2 N 0.00 1.40 0.40 0.00 0.02 -1.26 -4.91 135.00 130.65 3kku s PRO 2 Ca 0.00 1.49 0.14 0.00 0.02 0.00 0.00 61.00 62.65 3kku s PRO 2 Cb 0.00 -1.77 0.84 0.00 0.02 0.00 0.00 34.50 33.59 3kku s PRO 2 CO 0.00 -2.34 1.89 0.00 -0.33 0.00 0.00 177.00 176.22 3kku h ALA 3 N -1.54 1.48 -2.73 -1.55 0.00 -1.99 -3.45 119.26 109.48 3kku h ALA 3 Ca -0.44 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.08 3kku h ALA 3 Cb 1.26 -0.05 -0.23 0.00 0.00 0.00 0.00 17.79 18.77 3kku h ALA 3 CO 0.44 0.37 -0.25 0.00 0.00 0.00 0.00 179.25 179.81 3kku s ALA 4 N -4.33 -0.95 -0.01 0.00 0.00 -1.26 0.05 121.76 115.26 3kku s ALA 4 Ca -0.03 0.97 -0.01 0.00 0.00 0.00 0.00 51.96 52.88 3kku s ALA 4 Cb 0.15 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.77 3kku s ALA 4 CO 0.71 -0.20 0.04 0.08 0.00 0.00 0.00 175.76 176.38 3kku s VAL 5 N -0.09 0.00 -0.26 0.00 1.01 -0.34 -4.98 120.40 115.73 3kku s VAL 5 Ca -0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 3kku s VAL 5 Cb -0.03 -0.06 0.12 0.00 0.00 0.00 0.00 36.38 36.40 3kku s VAL 5 CO 0.01 -0.01 0.24 -0.62 0.00 0.00 0.00 175.10 174.72 3kku s ASP 6 N 0.00 2.00 0.32 3.32 3.68 -1.26 -0.77 116.67 123.96 3kku s ASP 6 Ca -0.00 -0.72 0.25 0.00 2.13 0.00 0.00 52.55 54.21 3kku s ASP 6 Cb -0.00 0.28 1.15 0.00 -1.45 0.00 0.00 42.92 42.90 3kku s ASP 6 CO 0.00 -0.38 1.74 -0.50 0.13 0.00 0.00 175.17 176.16 3kku h TRP 7 N 8.31 0.00 -0.51 -5.34 4.06 -1.44 -0.63 115.95 120.40 3kku h TRP 7 Ca -0.16 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.77 3kku h TRP 7 Cb 1.08 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.22 3kku h TRP 7 CO 0.24 0.00 0.21 0.00 -3.56 0.00 0.00 178.44 175.33 3kku h ARG 8 N 0.00 0.72 0.00 0.49 3.08 -1.95 -2.01 114.38 114.70 3kku h ARG 8 Ca 0.00 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 3kku h ARG 8 Cb 0.22 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 3kku h ARG 8 CO 0.00 0.59 -0.08 0.00 -1.07 0.00 0.00 179.97 179.41 3kku h ALA 9 N 1.52 1.14 -0.00 0.04 0.00 -1.51 -1.03 119.26 119.41 3kku h ALA 9 Ca 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3kku h ALA 9 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3kku h ALA 9 CO -0.02 0.10 -0.09 0.54 0.00 0.00 0.00 179.25 179.79 3kku n ARG 10 N -3.38 0.48 -1.03 0.00 5.12 -0.78 -4.92 116.66 112.14 3kku n ARG 10 Ca -0.01 -0.11 -0.01 0.00 -1.93 0.00 0.00 57.85 55.78 3kku n ARG 10 Cb 0.24 -1.50 -0.01 0.00 -1.16 0.00 0.00 32.46 30.04 3kku n ARG 10 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kku n GLY 11 N 1.32 0.49 0.44 -0.13 0.00 -0.39 -4.93 105.19 101.98 3kku n GLY 11 Ca 0.13 -0.84 0.13 0.00 0.00 0.00 0.00 46.02 45.43 3kku n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kku n ALA 12 N 1.02 2.97 -3.37 4.61 0.00 -1.05 -4.88 120.51 119.80 3kku n ALA 12 Ca -0.01 -0.50 -0.32 0.00 0.00 0.00 0.00 53.44 52.61 3kku n ALA 12 Cb 0.04 -1.04 -0.16 0.00 0.00 0.00 0.00 19.45 18.30 3kku n ALA 12 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kku s VAL 13 N -2.30 2.24 1.00 0.00 1.01 -1.26 -3.98 120.40 117.10 3kku s VAL 13 Ca 0.27 -0.94 -0.12 0.00 0.00 0.00 0.00 61.98 61.19 3kku s VAL 13 Cb 0.20 -1.89 0.19 0.00 0.00 0.00 0.00 36.38 34.88 3kku s VAL 13 CO 0.46 0.55 1.10 0.42 0.00 0.00 0.00 175.10 177.62 3kku s THR 14 N 0.54 2.04 0.70 3.92 -4.23 -1.26 -4.99 115.64 112.37 3kku s THR 14 Ca -0.13 0.01 -0.16 0.00 -1.18 0.00 0.00 61.69 60.23 3kku s THR 14 Cb -0.17 -2.52 -0.00 0.00 1.34 0.00 0.00 72.50 71.16 3kku s THR 14 CO 0.04 -0.02 0.99 0.00 -0.54 0.00 0.00 174.62 175.09 3kku n ALA 15 N -4.18 -0.10 -1.92 3.99 0.00 -1.26 -4.92 120.51 112.11 3kku n ALA 15 Ca 0.05 -0.15 -0.42 0.00 0.00 0.00 0.00 53.44 52.92 3kku n ALA 15 Cb 0.57 -2.13 -0.03 0.00 0.00 0.00 0.00 19.45 17.87 3kku n ALA 15 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kku s VAL 16 N -1.75 2.64 0.47 0.00 1.01 -1.26 -5.02 120.40 116.49 3kku s VAL 16 Ca 0.74 0.48 0.08 0.00 0.00 0.00 0.00 61.98 63.28 3kku s VAL 16 Cb -0.36 -3.31 0.08 0.00 0.00 0.00 0.00 36.38 32.79 3kku s VAL 16 CO 0.49 0.05 0.63 0.29 0.00 0.00 0.00 175.10 176.56 3kku n LYS 17 N 3.47 0.69 -3.67 2.72 4.76 -1.26 -4.63 118.16 120.24 3kku n LYS 17 Ca 0.12 -2.56 -0.30 0.00 -2.87 0.00 0.00 58.31 52.71 3kku n LYS 17 Cb 0.39 -0.16 -0.15 0.00 -1.84 0.00 0.00 35.03 33.27 3kku n LYS 17 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3kku s ASP 18 N -3.90 3.86 0.48 4.39 3.68 -1.26 -1.12 116.67 122.81 3kku s ASP 18 Ca 0.48 -1.59 0.28 0.00 2.13 0.00 0.00 52.55 53.84 3kku s ASP 18 Cb -0.04 -0.72 0.97 0.00 -1.45 0.00 0.00 42.92 41.69 3kku s ASP 18 CO 0.30 -0.41 1.84 0.06 0.13 0.00 0.00 175.17 177.09 3kku h GLN 19 N 8.10 0.00 0.00 4.34 3.07 -1.52 -3.47 115.11 125.63 3kku h GLN 19 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.60 3kku h GLN 19 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.57 3kku h GLN 19 CO 0.46 0.09 0.00 0.41 0.09 0.00 0.00 178.83 179.88 3kku n GLY 20 N 0.33 0.66 2.39 0.06 0.00 -1.26 -3.95 105.19 103.42 3kku n GLY 20 Ca 0.01 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.93 3kku n GLY 20 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kku n GLN 21 N 0.00 3.60 -3.73 1.61 6.02 0.32 -4.82 117.38 120.38 3kku n GLN 21 Ca 0.00 -2.64 -0.12 0.00 -0.01 0.00 0.00 57.00 54.23 3kku n GLN 21 Cb 0.00 -2.48 -0.11 0.00 1.02 0.00 0.00 30.24 28.67 3kku n GLN 21 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kku n GLY 23 N 3.72 4.43 0.75 0.00 0.00 0.06 -4.52 105.19 109.62 3kku n GLY 23 Ca -0.20 -1.61 0.08 0.00 0.00 0.00 0.00 46.02 44.30 3kku n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kku n SER 24 N 3.65 3.55 0.25 1.61 3.41 -1.26 -2.82 113.62 122.01 3kku n SER 24 Ca 0.72 -2.86 0.10 0.00 -0.26 0.00 0.00 58.87 56.57 3kku n SER 24 Cb 0.26 -0.48 0.67 0.00 -0.26 0.00 0.00 64.21 64.40 3kku n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kku h TRP 26 N 0.00 1.08 -0.08 0.00 5.08 -1.82 0.90 115.95 121.11 3kku h TRP 26 Ca -0.00 0.03 -0.20 0.00 1.08 0.00 0.00 58.89 59.80 3kku h TRP 26 Cb 0.29 -0.35 0.01 0.00 -3.00 0.00 0.00 29.16 26.12 3kku h TRP 26 CO 0.00 0.51 -0.74 0.00 -1.28 0.00 0.00 178.44 176.94 3kku h ALA 27 N 1.52 0.20 -0.79 0.11 0.00 -1.27 -1.77 119.26 117.25 3kku h ALA 27 Ca 0.43 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3kku h ALA 27 Cb 0.33 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3kku h ALA 27 CO -0.19 0.55 0.42 0.74 0.00 0.00 0.00 179.25 180.77 3kku h PHE 28 N 0.30 1.08 0.17 0.00 -1.00 -0.94 0.55 116.94 117.10 3kku h PHE 28 Ca -0.07 -0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.68 3kku h PHE 28 Cb 1.39 -0.35 0.00 0.00 3.61 0.00 0.00 35.95 40.60 3kku h PHE 28 CO 0.11 0.76 -0.08 1.03 -1.61 0.00 0.00 178.31 178.51 3kku h SER 29 N 1.10 -0.19 -0.31 2.17 0.87 -0.81 0.78 113.55 117.15 3kku h SER 29 Ca 0.28 -0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 3kku h SER 29 Cb 0.04 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 3kku h SER 29 CO -0.04 0.06 0.10 0.00 -0.53 0.00 0.00 176.83 176.42 3kku h ALA 30 N 0.34 0.41 -0.36 6.23 0.00 -1.17 -1.74 119.26 122.97 3kku h ALA 30 Ca -0.02 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.59 3kku h ALA 30 Cb 0.35 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3kku h ALA 30 CO 0.04 0.04 -0.36 0.82 0.00 0.00 0.00 179.25 179.79 3kku h ILE 31 N 0.35 1.28 -0.95 0.00 1.08 -0.90 -1.37 117.51 117.00 3kku h ILE 31 Ca 0.10 -1.53 0.04 0.00 -0.39 0.00 0.00 64.86 63.08 3kku h ILE 31 Cb 0.23 1.38 -0.06 0.00 -3.07 0.00 0.00 36.82 35.31 3kku h ILE 31 CO -0.00 0.51 0.62 1.23 -0.69 0.00 0.00 178.15 179.81 3kku h GLY 32 N 0.88 1.39 0.99 5.37 0.00 -0.77 0.12 103.07 111.04 3kku h GLY 32 Ca 0.06 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 3kku h GLY 32 CO 0.09 0.40 0.29 -0.57 0.00 0.00 0.00 176.54 176.74 3kku h ASN 33 N 1.19 0.72 -0.66 0.19 -0.73 -0.98 -2.11 115.58 113.21 3kku h ASN 33 Ca 0.38 -0.11 -0.05 0.00 1.87 0.00 0.00 56.30 58.39 3kku h ASN 33 Cb 0.01 -0.18 -0.03 0.00 0.27 0.00 0.00 38.32 38.39 3kku h ASN 33 CO -0.12 0.63 0.23 0.58 -0.37 0.00 0.00 177.43 178.37 3kku h VAL 34 N 0.76 1.25 -0.49 2.57 2.07 -0.39 -1.20 116.25 120.82 3kku h VAL 34 Ca 0.20 -0.82 0.07 0.00 0.82 0.00 0.00 66.70 66.97 3kku h VAL 34 Cb 0.08 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.34 3kku h VAL 34 CO -0.03 0.32 0.15 -0.33 0.02 0.00 0.00 177.57 177.70 3kku h GLU 35 N 0.94 0.31 -0.26 1.57 5.08 -0.51 0.16 114.58 121.88 3kku h GLU 35 Ca 0.21 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.48 3kku h GLU 35 Cb 0.26 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3kku h GLU 35 CO -0.01 0.20 -0.12 0.00 -1.00 0.00 0.00 179.01 178.09 3kku h GLN 37 N 0.27 1.00 -0.62 0.00 1.08 -0.85 -1.04 115.11 114.95 3kku h GLN 37 Ca 0.06 -0.11 -0.06 0.00 -1.45 0.00 0.00 58.65 57.10 3kku h GLN 37 Cb 0.62 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.82 3kku h GLN 37 CO 0.04 0.73 0.17 2.35 -0.95 0.00 0.00 178.83 181.16 3kku h TRP 38 N 1.01 1.03 -0.12 2.96 2.91 -0.52 -0.58 115.95 122.63 3kku h TRP 38 Ca 0.26 -0.12 -0.00 0.00 1.13 0.00 0.00 58.89 60.16 3kku h TRP 38 Cb 0.02 -0.29 -0.01 0.00 -0.51 0.00 0.00 29.16 28.37 3kku h TRP 38 CO 0.01 0.86 0.06 0.35 -1.03 0.00 0.00 178.44 178.69 3kku h PHE 39 N 0.91 0.16 0.00 2.65 3.04 -1.14 -2.85 116.94 119.71 3kku h PHE 39 Ca 0.20 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.12 3kku h PHE 39 Cb 0.34 -0.05 -0.00 0.00 2.56 0.00 0.00 35.95 38.79 3kku h PHE 39 CO 0.02 0.20 -0.08 -0.07 -2.02 0.00 0.00 178.31 176.36 3kku h LEU 40 N 0.08 0.00 -0.44 0.59 3.38 -0.86 -1.35 115.31 116.72 3kku h LEU 40 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3kku h LEU 40 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3kku h LEU 40 CO -0.01 0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.60 3kku n ALA 41 N -2.28 2.51 -0.43 1.53 0.00 -0.26 -4.86 120.51 116.72 3kku n ALA 41 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3kku n ALA 41 Cb 0.19 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3kku n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kku n GLY 42 N 0.58 1.51 3.32 0.00 0.00 -0.52 -5.06 105.19 105.01 3kku n GLY 42 Ca 0.03 -0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 3kku n GLY 42 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kku s HIS 43 N -2.05 1.70 0.53 1.61 3.76 -1.12 -5.06 115.29 114.66 3kku s HIS 43 Ca 0.00 -0.52 -0.22 0.00 -0.15 0.00 0.00 55.06 54.18 3kku s HIS 43 Cb 0.00 -0.84 -0.06 0.00 1.11 0.00 0.00 32.58 32.79 3kku s HIS 43 CO 0.00 0.30 1.21 -2.30 -0.85 0.00 0.00 174.74 173.10 3kku n PRO 44 N 0.14 1.48 -1.86 8.40 -0.02 -1.26 -4.27 135.00 137.62 3kku n PRO 44 Ca -0.12 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.48 3kku n PRO 44 Cb 0.58 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 3kku n PRO 44 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3kku s LEU 45 N -2.56 4.38 -0.05 2.45 2.96 -1.26 -4.65 118.68 119.95 3kku s LEU 45 Ca 0.70 2.58 0.01 0.00 -0.22 0.00 0.00 54.13 57.20 3kku s LEU 45 Cb -0.44 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 42.70 3kku s LEU 45 CO 0.50 -0.93 -0.06 -0.89 -1.32 0.00 0.00 176.35 173.66 3kku s THR 46 N 2.67 0.66 0.13 3.68 2.01 -1.26 -5.10 115.64 118.43 3kku s THR 46 Ca 0.76 -0.18 -0.31 0.00 0.31 0.00 0.00 61.69 62.27 3kku s THR 46 Cb -0.42 -0.67 -0.08 0.00 0.01 0.00 0.00 72.50 71.34 3kku s THR 46 CO 0.34 0.26 1.32 0.20 -0.69 0.00 0.00 174.62 176.04 3kku s ASN 47 N 0.97 6.91 0.41 3.53 0.01 -1.26 -4.80 114.94 120.72 3kku s ASN 47 Ca -0.10 2.27 0.07 0.00 -0.71 0.00 0.00 52.86 54.39 3kku s ASN 47 Cb -0.14 -2.59 -0.06 0.00 0.41 0.00 0.00 41.25 38.86 3kku s ASN 47 CO 0.00 -0.57 0.11 -0.76 -1.51 0.00 0.00 177.10 174.37 3kku s LEU 48 N 0.72 3.00 -0.44 0.60 1.43 -1.26 -0.97 118.68 121.76 3kku s LEU 48 Ca 0.61 -1.21 -0.18 0.00 -1.03 0.00 0.00 54.13 52.32 3kku s LEU 48 Cb -0.35 -1.20 0.03 0.00 0.03 0.00 0.00 46.19 44.71 3kku s LEU 48 CO 0.32 -0.51 0.48 -0.55 0.23 0.00 0.00 176.35 176.32 3kku s SER 49 N -3.82 6.20 0.29 2.29 0.15 0.07 -3.95 113.70 114.92 3kku s SER 49 Ca 0.38 -0.78 0.01 0.00 0.70 0.00 0.00 55.95 56.27 3kku s SER 49 Cb 0.06 -2.24 0.43 0.00 -1.71 0.00 0.00 66.02 62.56 3kku s SER 49 CO 0.20 -0.66 1.77 -0.33 1.20 0.00 0.00 173.24 175.42 3kku h GLU 50 N 8.79 0.60 -0.42 5.44 3.07 -1.87 -3.24 114.58 126.95 3kku h GLU 50 Ca -0.27 -0.18 -0.02 0.00 -0.50 0.00 0.00 59.36 58.39 3kku h GLU 50 Cb 1.11 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.93 3kku h GLU 50 CO 0.84 0.70 0.16 0.37 -1.40 0.00 0.00 179.01 179.68 3kku h GLN 51 N 0.56 0.60 -0.55 2.33 5.75 -1.84 -0.91 115.11 121.06 3kku h GLN 51 Ca 0.10 -0.08 0.11 0.00 -0.15 0.00 0.00 58.65 58.63 3kku h GLN 51 Cb 0.51 -0.11 -0.09 0.00 1.07 0.00 0.00 27.48 28.85 3kku h GLN 51 CO 0.03 0.51 -0.04 1.98 -2.65 0.00 0.00 178.83 178.66 3kku h MET 52 N 0.60 0.08 -0.05 1.69 4.05 -1.79 0.49 114.93 119.99 3kku h MET 52 Ca 0.15 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.54 3kku h MET 52 Cb 0.14 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 30.92 3kku h MET 52 CO -0.01 0.05 -0.04 -0.07 0.23 0.00 0.00 176.91 177.07 3kku h LEU 53 N 0.08 0.13 -0.80 3.39 3.38 -1.41 -0.85 115.31 119.23 3kku h LEU 53 Ca 0.28 -0.45 0.05 0.00 0.09 0.00 0.00 57.88 57.84 3kku h LEU 53 Cb 0.43 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 3kku h LEU 53 CO -0.49 0.56 0.50 0.58 0.09 0.00 0.00 178.44 179.67 3kku h VAL 54 N -0.29 1.07 0.05 1.22 2.07 -0.82 -1.71 116.25 117.84 3kku h VAL 54 Ca 0.01 -0.32 -0.28 0.00 0.82 0.00 0.00 66.70 66.93 3kku h VAL 54 Cb 0.51 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 3kku h VAL 54 CO 0.01 0.17 -1.48 0.28 0.02 0.00 0.00 177.57 176.58 3kku h SER 55 N 0.95 0.17 0.00 0.57 0.02 -0.98 -3.36 113.55 110.91 3kku h SER 55 Ca 0.34 -0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 3kku h SER 55 Cb 0.09 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 3kku h SER 55 CO -0.14 1.22 -1.52 0.00 -1.14 0.00 0.00 176.83 175.24 3kku s ASP 57 N -3.37 6.24 0.00 0.00 2.15 -0.66 -4.86 116.67 116.17 3kku s ASP 57 Ca -0.04 -0.61 0.25 0.00 0.43 0.00 0.00 52.55 52.58 3kku s ASP 57 Cb 0.06 -2.46 0.88 0.00 -0.30 0.00 0.00 42.92 41.11 3kku s ASP 57 CO 0.45 -1.46 1.64 0.29 -0.17 0.00 0.00 175.17 175.92 3kku n LYS 58 N 8.02 1.73 0.06 4.34 4.76 -1.26 -3.12 118.16 132.69 3kku n LYS 58 Ca 0.00 -1.08 -0.17 0.00 -2.87 0.00 0.00 58.31 54.19 3kku n LYS 58 Cb 0.47 -1.45 -0.08 0.00 -1.84 0.00 0.00 35.03 32.13 3kku n LYS 58 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 3kku h THR 59 N 2.42 1.34 -2.69 -0.18 2.02 -1.95 -3.46 112.91 110.42 3kku h THR 59 Ca 0.00 -2.41 -0.46 0.00 0.77 0.00 0.00 66.41 64.31 3kku h THR 59 Cb 0.52 2.47 0.12 0.00 -1.74 0.00 0.00 68.15 69.52 3kku h THR 59 CO 0.00 0.73 0.23 -1.81 0.37 0.00 0.00 175.52 175.04 3kku s ASP 60 N -7.21 3.72 -0.22 4.18 1.01 -1.18 -5.02 116.67 111.94 3kku s ASP 60 Ca -0.08 -0.23 0.14 0.00 0.71 0.00 0.00 52.55 53.09 3kku s ASP 60 Cb 0.08 0.06 0.45 0.00 1.01 0.00 0.00 42.92 44.52 3kku s ASP 60 CO 0.90 -2.30 1.18 -1.20 0.21 0.00 0.00 175.17 173.95 3kku n SER 61 N -3.24 2.76 0.00 0.27 7.64 0.41 -4.94 113.62 116.51 3kku n SER 61 Ca 0.16 -3.21 0.00 0.00 1.01 0.00 0.00 58.87 56.83 3kku n SER 61 Cb 0.60 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 3kku n SER 61 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kku n GLY 62 N -0.63 3.40 0.00 0.23 0.00 -1.24 -0.80 105.19 106.15 3kku n GLY 62 Ca 0.24 -0.17 0.10 0.00 0.00 0.00 0.00 46.02 46.19 3kku n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kku n SER 64 N -1.29 2.11 0.00 0.00 7.64 0.02 -0.76 113.62 121.34 3kku n SER 64 Ca 0.09 -1.73 0.00 0.00 1.01 0.00 0.00 58.87 58.24 3kku n SER 64 Cb 0.16 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 3kku n SER 64 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kku n GLY 65 N 1.24 1.35 0.00 0.23 0.00 -1.05 -4.90 105.19 102.05 3kku n GLY 65 Ca 0.17 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.92 3kku n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kku n GLY 66 N -0.94 -1.37 3.06 -0.02 0.00 -1.26 -0.45 105.19 104.21 3kku n GLY 66 Ca 0.00 -1.01 -0.23 0.00 0.00 0.00 0.00 46.02 44.78 3kku n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kku s LEU 67 N 0.00 1.86 0.28 0.99 1.43 -1.26 -4.75 118.68 117.22 3kku s LEU 67 Ca 0.00 -0.26 -0.00 0.00 -1.03 0.00 0.00 54.13 52.84 3kku s LEU 67 Cb 0.00 -0.73 0.48 0.00 0.03 0.00 0.00 46.19 45.97 3kku s LEU 67 CO 0.00 0.11 1.87 0.24 0.23 0.00 0.00 176.35 178.80 3kku h MET 68 N 6.27 1.06 -0.76 1.70 2.86 -1.97 -0.98 114.93 123.11 3kku h MET 68 Ca -0.33 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.23 3kku h MET 68 Cb 1.17 -0.24 -0.04 0.00 0.06 0.00 0.00 31.60 32.56 3kku h MET 68 CO 0.48 0.70 0.40 -0.91 1.06 0.00 0.00 176.91 178.65 3kku h ASN 69 N 1.09 0.95 -0.09 1.22 2.35 -1.96 -0.22 115.58 118.93 3kku h ASN 69 Ca 0.45 -0.08 -0.14 0.00 -0.55 0.00 0.00 56.30 55.98 3kku h ASN 69 Cb 0.30 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 3kku h ASN 69 CO -0.20 0.78 -0.42 0.78 -1.65 0.00 0.00 177.43 176.71 3kku h ASN 70 N 1.07 0.67 -0.44 5.81 -0.26 -1.76 -2.45 115.58 118.21 3kku h ASN 70 Ca 0.27 -0.31 0.00 0.00 -0.56 0.00 0.00 56.30 55.70 3kku h ASN 70 Cb 0.05 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.09 3kku h ASN 70 CO -0.04 1.01 0.28 0.00 -1.06 0.00 0.00 177.43 177.62 3kku h ALA 71 N 1.02 0.57 -0.70 -0.83 0.00 -0.46 0.25 119.26 119.11 3kku h ALA 71 Ca 0.04 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3kku h ALA 71 Cb 0.94 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3kku h ALA 71 CO 0.08 0.04 0.23 0.74 0.00 0.00 0.00 179.25 180.34 3kku h PHE 72 N 0.60 1.10 -0.57 0.00 0.04 -1.01 -1.11 116.94 115.99 3kku h PHE 72 Ca 0.16 -0.10 -0.09 0.00 2.80 0.00 0.00 57.97 60.74 3kku h PHE 72 Cb -0.03 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 37.77 3kku h PHE 72 CO -0.04 0.87 -0.02 0.93 -0.60 0.00 0.00 178.31 179.45 3kku h GLU 73 N 1.04 1.00 -0.28 1.51 4.39 -1.03 -2.72 114.58 118.50 3kku h GLU 73 Ca 0.23 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 3kku h GLU 73 Cb 0.28 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 3kku h GLU 73 CO -0.01 0.99 0.15 2.35 -1.16 0.00 0.00 179.01 181.33 3kku h TRP 74 N 0.92 0.38 -0.41 4.33 7.01 -0.57 0.11 115.95 127.72 3kku h TRP 74 Ca 0.16 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.21 3kku h TRP 74 Cb 0.56 -0.12 -0.05 0.00 -2.10 0.00 0.00 29.16 27.44 3kku h TRP 74 CO 0.04 0.33 0.11 0.82 -2.79 0.00 0.00 178.44 176.95 3kku h ILE 75 N 0.33 0.83 -0.04 2.65 2.04 -1.12 0.18 117.51 122.38 3kku h ILE 75 Ca 0.10 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 3kku h ILE 75 Cb 0.08 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 3kku h ILE 75 CO -0.01 0.05 -0.08 0.58 0.00 0.00 0.00 178.15 178.68 3kku h VAL 76 N 0.26 1.43 0.04 1.67 2.07 -1.28 0.52 116.25 120.97 3kku h VAL 76 Ca 0.20 -1.40 -0.24 0.00 0.82 0.00 0.00 66.70 66.07 3kku h VAL 76 Cb 0.21 2.26 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 3kku h VAL 76 CO -0.23 0.38 -1.18 1.56 0.02 0.00 0.00 177.57 178.13 3kku h GLN 77 N -0.39 0.08 0.00 1.57 4.20 -0.68 -3.26 115.11 116.64 3kku h GLN 77 Ca 0.00 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.57 3kku h GLN 77 Cb 0.66 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.50 3kku h GLN 77 CO 0.02 1.01 -1.37 0.39 -0.67 0.00 0.00 178.83 178.21 3kku n GLU 78 N -3.37 0.78 -0.26 1.46 -0.58 0.62 -4.68 120.64 114.61 3kku n GLU 78 Ca -0.05 -0.09 0.08 0.00 -0.42 0.00 0.00 57.16 56.68 3kku n GLU 78 Cb 0.98 -1.23 0.13 0.00 -0.57 0.00 0.00 31.44 30.75 3kku n GLU 78 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3kku n ASN 79 N -1.80 1.87 -2.13 1.62 4.05 -0.81 -4.99 115.26 113.08 3kku n ASN 79 Ca -0.01 -3.03 -0.20 0.00 0.45 0.00 0.00 54.58 51.79 3kku n ASN 79 Cb 0.28 -0.41 -0.03 0.00 1.23 0.00 0.00 39.78 40.84 3kku n ASN 79 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3kku n ASN 80 N -1.12 -5.45 0.00 1.20 3.02 -1.12 -1.11 115.26 110.68 3kku n ASN 80 Ca 0.14 0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 3kku n ASN 80 Cb 0.67 -4.64 0.00 0.00 -0.61 0.00 0.00 39.78 35.20 3kku n ASN 80 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kku n GLY 81 N -0.78 1.53 3.77 7.41 0.00 0.11 -4.90 105.19 112.34 3kku n GLY 81 Ca -0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 3kku n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kku s ALA 82 N -3.56 3.41 -0.17 4.61 0.00 -0.27 -0.81 121.76 124.98 3kku s ALA 82 Ca 0.00 0.38 0.01 0.00 0.00 0.00 0.00 51.96 52.35 3kku s ALA 82 Cb 0.00 -3.01 0.02 0.00 0.00 0.00 0.00 23.12 20.13 3kku s ALA 82 CO 0.00 0.22 -0.18 0.08 0.00 0.00 0.00 175.76 175.89 3kku s VAL 83 N -0.88 1.85 0.58 0.00 1.01 -0.24 -4.91 120.40 117.82 3kku s VAL 83 Ca 0.37 -0.81 -0.15 0.00 0.00 0.00 0.00 61.98 61.40 3kku s VAL 83 Cb -0.23 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 3kku s VAL 83 CO 0.26 0.51 1.03 -0.31 0.00 0.00 0.00 175.10 176.59 3kku s TYR 84 N 1.36 3.19 0.59 5.22 2.02 -1.26 -0.35 117.35 128.12 3kku s TYR 84 Ca 0.05 1.47 -0.19 0.00 -0.37 0.00 0.00 57.07 58.03 3kku s TYR 84 Cb -0.13 -2.91 -0.04 0.00 -0.40 0.00 0.00 41.96 38.49 3kku s TYR 84 CO -0.12 -0.87 1.19 0.95 -1.57 0.00 0.00 175.55 175.13 3kku s THR 85 N -2.63 2.71 0.21 -0.71 -4.23 0.01 -0.75 115.64 110.25 3kku s THR 85 Ca 0.61 0.44 -0.09 0.00 -1.18 0.00 0.00 61.69 61.46 3kku s THR 85 Cb -0.14 -3.17 0.15 0.00 1.34 0.00 0.00 72.50 70.68 3kku s THR 85 CO 0.39 -0.10 1.82 -0.08 -0.54 0.00 0.00 174.62 176.11 3kku h GLU 86 N 0.90 0.74 -0.49 3.99 4.57 -1.18 -1.86 114.58 121.26 3kku h GLU 86 Ca -0.50 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 57.60 3kku h GLU 86 Cb 1.29 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.69 3kku h GLU 86 CO 0.55 0.49 0.18 -0.44 -1.18 0.00 0.00 179.01 178.61 3kku h ASP 87 N 0.76 0.64 0.80 1.04 3.32 -1.93 -1.56 116.42 119.50 3kku h ASP 87 Ca 0.30 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3kku h ASP 87 Cb 0.13 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3kku h ASP 87 CO -0.15 0.59 -0.48 -1.54 -1.72 0.00 0.00 179.24 175.94 3kku n SER 88 N -4.34 0.57 -3.04 6.45 3.41 -1.07 -4.41 113.62 111.18 3kku n SER 88 Ca 0.04 0.08 -0.19 0.00 -0.26 0.00 0.00 58.87 58.54 3kku n SER 88 Cb 0.16 0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 3kku n SER 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kku n TYR 89 N -1.86 -1.43 -1.69 7.33 -0.00 -0.72 -4.69 117.16 114.10 3kku n TYR 89 Ca 0.05 -2.92 -0.30 0.00 -0.00 0.00 0.00 57.90 54.72 3kku n TYR 89 Cb 0.39 0.33 0.07 0.00 -0.00 0.00 0.00 39.34 40.13 3kku n TYR 89 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.86 175.61 3kku s PRO 90 N -0.49 2.49 -0.02 2.98 0.04 -0.63 -4.36 135.00 135.00 3kku s PRO 90 Ca 0.34 0.59 -0.30 0.00 0.04 0.00 0.00 61.00 61.67 3kku s PRO 90 Cb 0.18 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.72 3kku s PRO 90 CO -0.16 -1.33 1.16 -0.47 0.04 0.00 0.00 177.00 176.25 3kku s TYR 91 N -3.23 3.33 0.00 0.56 5.04 -1.26 -4.69 117.35 117.10 3kku s TYR 91 Ca 0.59 1.32 0.00 0.00 -2.44 0.00 0.00 57.07 56.54 3kku s TYR 91 Cb -0.13 -3.37 0.00 0.00 0.35 0.00 0.00 41.96 38.81 3kku s TYR 91 CO 0.53 -1.08 0.69 0.00 -1.34 0.00 0.00 175.55 174.35 3kku n ALA 92 N 4.71 1.50 -0.30 3.97 0.00 -1.26 -4.82 120.51 124.31 3kku n ALA 92 Ca 0.10 -0.69 0.10 0.00 0.00 0.00 0.00 53.44 52.94 3kku n ALA 92 Cb 0.47 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.18 3kku n ALA 92 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3kku n SER 93 N -0.23 3.60 0.31 0.00 7.64 -1.26 -4.63 113.62 119.06 3kku n SER 93 Ca 0.00 -2.00 0.19 0.00 1.01 0.00 0.00 58.87 58.07 3kku n SER 93 Cb 0.33 -0.40 1.03 0.00 -1.01 0.00 0.00 64.21 64.16 3kku n SER 93 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3kku h GLY 94 N 3.47 0.00 -2.68 0.23 0.00 -1.86 0.65 103.07 102.88 3kku h GLY 94 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kku h GLY 94 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.72 3kku n GLU 95 N -3.29 2.88 -0.47 4.80 1.02 -1.26 -0.52 120.64 123.81 3kku n GLU 95 Ca -0.02 -2.58 0.00 0.00 -0.02 0.00 0.00 57.16 54.54 3kku n GLU 95 Cb 0.13 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 3kku n GLU 95 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kku n GLY 96 N 1.49 0.75 3.11 0.62 0.00 0.22 -4.90 105.19 106.48 3kku n GLY 96 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 3kku n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kku s ILE 97 N -2.40 2.61 -0.14 -0.61 1.01 -1.25 -4.96 121.20 115.45 3kku s ILE 97 Ca 0.00 -1.70 -0.26 0.00 0.00 0.00 0.00 60.65 58.69 3kku s ILE 97 Cb 0.00 -2.61 -0.02 0.00 0.01 0.00 0.00 42.46 39.84 3kku s ILE 97 CO 0.00 -0.22 0.85 -0.55 0.00 0.00 0.00 174.94 175.02 3kku s SER 98 N 1.20 7.01 0.77 3.58 0.15 -1.26 -4.24 113.70 120.91 3kku s SER 98 Ca -0.03 1.24 -0.14 0.00 0.70 0.00 0.00 55.95 57.73 3kku s SER 98 Cb -0.20 -2.47 0.06 0.00 -1.71 0.00 0.00 66.02 61.70 3kku s SER 98 CO -0.04 -0.37 1.18 -2.84 1.20 0.00 0.00 173.24 172.38 3kku s PRO 99 N 1.94 1.95 0.69 5.44 0.02 -1.26 -4.97 135.00 138.80 3kku s PRO 99 Ca 0.40 1.67 -0.17 0.00 0.02 0.00 0.00 61.00 62.92 3kku s PRO 99 Cb -0.17 -1.82 0.01 0.00 0.02 0.00 0.00 34.50 32.53 3kku s PRO 99 CO 0.14 -1.96 1.16 -2.30 -0.33 0.00 0.00 177.00 173.72 3kku n PRO 100 N -3.06 0.78 -1.69 5.54 -0.02 -1.26 -4.63 135.00 130.66 3kku n PRO 100 Ca 0.13 0.33 -0.43 0.00 -2.02 0.00 0.00 63.50 61.50 3kku n PRO 100 Cb 0.51 -2.40 -0.02 0.00 -0.02 0.00 0.00 33.50 31.57 3kku n PRO 100 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kku s THR 102 N -0.49 2.40 -0.16 0.00 -4.23 -1.26 -5.02 115.64 106.88 3kku s THR 102 Ca 0.62 -0.88 0.21 0.00 -1.18 0.00 0.00 61.69 60.47 3kku s THR 102 Cb -0.60 -1.97 -0.13 0.00 1.34 0.00 0.00 72.50 71.15 3kku s THR 102 CO 0.55 0.54 0.82 0.35 -0.54 0.00 0.00 174.62 176.33 3kku n THR 103 N 3.84 0.55 -3.58 3.99 -2.24 -1.26 -4.94 114.28 110.65 3kku n THR 103 Ca -0.19 -0.57 -0.33 0.00 -2.27 0.00 0.00 64.05 60.69 3kku n THR 103 Cb 0.52 -0.30 -0.05 0.00 -2.10 0.00 0.00 70.33 68.40 3kku n THR 103 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3kku s SER 104 N -5.19 6.58 0.00 3.42 0.01 -1.26 -4.69 113.70 112.57 3kku s SER 104 Ca -0.03 0.74 0.00 0.00 1.31 0.00 0.00 55.95 57.97 3kku s SER 104 Cb 0.11 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 64.18 3kku s SER 104 CO 0.83 0.07 0.00 0.61 0.41 0.00 0.00 173.24 175.15 3kku n GLY 105 N 0.33 0.75 3.99 3.44 0.00 -1.26 -5.05 105.19 107.38 3kku n GLY 105 Ca -0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 3kku n GLY 105 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kku s HIS 106 N -2.44 2.46 -0.16 1.61 4.02 -1.26 -5.03 115.29 114.49 3kku s HIS 106 Ca 0.00 -0.16 -0.01 0.00 1.02 0.00 0.00 55.06 55.91 3kku s HIS 106 Cb 0.00 -2.74 -0.01 0.00 -1.02 0.00 0.00 32.58 28.81 3kku s HIS 106 CO 0.00 -1.04 -0.11 0.99 1.02 0.00 0.00 174.74 175.59 3kku s THR 107 N -2.81 3.04 0.10 1.30 2.01 -1.26 -5.06 115.64 112.97 3kku s THR 107 Ca 0.59 -0.64 -0.31 0.00 0.31 0.00 0.00 61.69 61.64 3kku s THR 107 Cb -0.09 -2.31 -0.08 0.00 0.01 0.00 0.00 72.50 70.03 3kku s THR 107 CO 0.39 0.50 1.46 -0.69 -0.69 0.00 0.00 174.62 175.60 3kku s VAL 108 N 0.72 3.19 -0.12 3.82 1.01 -1.26 -0.81 120.40 126.94 3kku s VAL 108 Ca -0.05 0.80 0.10 0.00 0.00 0.00 0.00 61.98 62.83 3kku s VAL 108 Cb -0.15 -3.51 -0.15 0.00 0.00 0.00 0.00 36.38 32.57 3kku s VAL 108 CO 0.02 0.04 0.28 0.61 0.00 0.00 0.00 175.10 176.05 3kku n GLY 109 N 3.64 -0.35 3.46 4.51 0.00 0.52 -4.72 105.19 112.25 3kku n GLY 109 Ca 0.13 -0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 3kku n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kku s ALA 110 N -2.54 -1.65 -0.04 4.61 0.00 -0.94 -4.94 121.76 116.26 3kku s ALA 110 Ca -0.02 0.81 0.05 0.00 0.00 0.00 0.00 51.96 52.80 3kku s ALA 110 Cb 0.07 0.53 -0.01 0.00 0.00 0.00 0.00 23.12 23.71 3kku s ALA 110 CO 0.43 -0.60 -0.17 0.99 0.00 0.00 0.00 175.76 176.40 3kku s THR 111 N -2.71 1.43 0.18 0.00 2.01 -1.26 -1.07 115.64 114.22 3kku s THR 111 Ca -0.04 -0.73 0.10 0.00 0.31 0.00 0.00 61.69 61.33 3kku s THR 111 Cb -0.01 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.24 3kku s THR 111 CO -0.04 0.41 -0.20 0.27 -0.69 0.00 0.00 174.62 174.37 3kku s ILE 112 N -0.05 2.04 -0.59 1.82 -4.36 0.01 -2.55 121.20 117.52 3kku s ILE 112 Ca -0.02 -1.97 0.09 0.00 -0.26 0.00 0.00 60.65 58.49 3kku s ILE 112 Cb -0.11 -1.96 -0.06 0.00 1.25 0.00 0.00 42.46 41.59 3kku s ILE 112 CO 0.02 -0.24 0.47 0.35 0.24 0.00 0.00 174.94 175.77 3kku n THR 113 N 0.26 0.00 -3.12 8.37 -2.24 -0.03 -4.31 114.28 113.21 3kku n THR 113 Ca -0.13 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 3kku n THR 113 Cb 0.57 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.84 3kku n THR 113 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kku n GLY 114 N 1.07 -1.28 3.31 3.38 0.00 -1.23 -4.99 105.19 105.46 3kku n GLY 114 Ca 0.03 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 3kku n GLY 114 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3kku s HIS 115 N -2.97 0.25 0.02 1.61 -3.43 -1.26 -0.62 115.29 108.89 3kku s HIS 115 Ca 0.00 -0.63 0.03 0.00 -0.80 0.00 0.00 55.06 53.67 3kku s HIS 115 Cb 0.00 -0.00 -0.04 0.00 -1.43 0.00 0.00 32.58 31.11 3kku s HIS 115 CO 0.00 -0.68 -0.05 0.14 -2.00 0.00 0.00 174.74 172.14 3kku s VAL 116 N -3.92 3.73 -0.15 -5.38 -7.23 0.95 -4.89 120.40 103.51 3kku s VAL 116 Ca 0.12 -0.81 -0.01 0.00 -1.81 0.00 0.00 61.98 59.47 3kku s VAL 116 Cb 0.03 -2.65 -0.01 0.00 0.56 0.00 0.00 36.38 34.30 3kku s VAL 116 CO -0.04 0.34 -0.11 -1.61 -0.31 0.00 0.00 175.10 173.38 3kku s GLU 117 N -1.58 3.41 0.27 4.82 2.02 -1.26 -1.19 118.70 125.19 3kku s GLU 117 Ca 0.19 -0.66 0.00 0.00 0.02 0.00 0.00 54.97 54.52 3kku s GLU 117 Cb -0.11 -2.73 -0.04 0.00 0.10 0.00 0.00 34.13 31.35 3kku s GLU 117 CO 0.09 0.14 0.46 -0.51 0.02 0.00 0.00 175.26 175.47 3kku s LEU 118 N 0.55 4.15 0.77 1.80 1.43 -0.05 -5.00 118.68 122.33 3kku s LEU 118 Ca -0.07 0.40 -0.15 0.00 -1.03 0.00 0.00 54.13 53.28 3kku s LEU 118 Cb -0.15 -3.21 0.06 0.00 0.03 0.00 0.00 46.19 42.92 3kku s LEU 118 CO 0.03 -0.15 1.19 -2.65 0.23 0.00 0.00 176.35 175.00 3kku n PRO 119 N -1.22 0.41 -1.81 1.29 -0.02 -1.26 -4.61 135.00 127.78 3kku n PRO 119 Ca -0.05 0.21 -0.42 0.00 -2.02 0.00 0.00 63.50 61.22 3kku n PRO 119 Cb 0.55 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 3kku n PRO 119 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3kku n GLN 120 N -2.84 2.95 -3.57 -0.52 6.02 -1.26 -4.66 117.38 113.50 3kku n GLN 120 Ca 0.14 -2.72 -0.04 0.00 -0.01 0.00 0.00 57.00 54.37 3kku n GLN 120 Cb 0.50 -3.25 -0.06 0.00 1.02 0.00 0.00 30.24 28.45 3kku n GLN 120 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3kku s ASP 121 N 2.91 -0.75 0.32 1.08 -1.08 -1.26 -4.96 116.67 112.94 3kku s ASP 121 Ca 0.46 1.18 0.01 0.00 -0.52 0.00 0.00 52.55 53.68 3kku s ASP 121 Cb 0.13 1.86 0.53 0.00 -1.46 0.00 0.00 42.92 43.99 3kku s ASP 121 CO -0.08 -0.24 1.94 -0.33 0.52 0.00 0.00 175.17 176.99 3kku h GLU 122 N 8.08 0.86 -0.41 4.34 5.08 -1.91 -0.74 114.58 129.88 3kku h GLU 122 Ca -0.18 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 3kku h GLU 122 Cb 1.11 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 3kku h GLU 122 CO 0.14 0.64 0.14 0.00 -1.00 0.00 0.00 179.01 178.93 3kku h ALA 123 N 1.50 0.53 -0.25 3.43 0.00 -1.97 -0.20 119.26 122.32 3kku h ALA 123 Ca 0.22 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 3kku h ALA 123 Cb 0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3kku h ALA 123 CO -0.04 0.16 -0.41 1.96 0.00 0.00 0.00 179.25 180.92 3kku h GLN 124 N 0.52 0.59 -0.48 0.00 4.20 -1.84 -0.69 115.11 117.41 3kku h GLN 124 Ca 0.13 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 3kku h GLN 124 Cb 0.23 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 3kku h GLN 124 CO -0.01 0.90 0.25 0.82 -0.67 0.00 0.00 178.83 180.12 3kku h ILE 125 N 0.48 1.18 -0.63 2.54 2.04 -0.96 -1.02 117.51 121.14 3kku h ILE 125 Ca 0.04 -0.47 -0.07 0.00 1.00 0.00 0.00 64.86 65.36 3kku h ILE 125 Cb 0.93 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 3kku h ILE 125 CO 0.08 0.19 0.12 0.00 0.00 0.00 0.00 178.15 178.55 3kku h ALA 126 N 1.09 0.83 -0.57 1.87 0.00 -0.83 -0.00 119.26 121.66 3kku h ALA 126 Ca 0.17 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 3kku h ALA 126 Cb 0.08 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3kku h ALA 126 CO -0.02 0.58 0.05 0.00 0.00 0.00 0.00 179.25 179.85 3kku h ALA 127 N 1.04 1.00 -0.12 0.00 0.00 -0.93 0.17 119.26 120.42 3kku h ALA 127 Ca 0.19 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3kku h ALA 127 Cb 0.40 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3kku h ALA 127 CO 0.01 0.62 0.03 2.35 0.00 0.00 0.00 179.25 182.26 3kku h TRP 128 N 0.89 0.20 -0.93 0.00 7.01 -0.91 -3.06 115.95 119.14 3kku h TRP 128 Ca 0.17 -0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.16 3kku h TRP 128 Cb 0.46 -0.06 -0.05 0.00 -2.10 0.00 0.00 29.16 27.42 3kku h TRP 128 CO 0.03 0.35 0.61 1.25 -2.79 0.00 0.00 178.44 177.89 3kku h LEU 129 N -0.02 1.08 -1.57 0.65 6.46 -0.69 0.12 115.31 121.35 3kku h LEU 129 Ca 0.04 -0.03 0.06 0.00 -0.12 0.00 0.00 57.88 57.82 3kku h LEU 129 Cb 0.26 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 39.88 3kku h LEU 129 CO 0.00 0.79 0.37 0.00 -0.62 0.00 0.00 178.44 178.99 3kku h ALA 130 N 1.40 1.84 0.07 1.25 0.00 -0.86 -1.52 119.26 121.44 3kku h ALA 130 Ca 0.34 -0.02 -0.37 0.00 0.00 0.00 0.00 54.91 54.86 3kku h ALA 130 Cb -0.13 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 3kku h ALA 130 CO -0.07 0.07 -2.14 0.28 0.00 0.00 0.00 179.25 177.38 3kku n VAL 131 N -4.47 1.66 0.31 0.00 0.31 -0.95 -4.73 118.33 110.46 3kku n VAL 131 Ca 0.08 -0.59 0.05 0.00 -0.01 0.00 0.00 64.34 63.87 3kku n VAL 131 Cb 0.23 -1.65 -0.07 0.00 -0.91 0.00 0.00 33.84 31.44 3kku n VAL 131 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3kku n ASN 132 N -3.48 1.26 0.00 4.52 3.02 0.38 -5.11 115.26 115.86 3kku n ASN 132 Ca -0.37 -0.46 0.00 0.00 -0.03 0.00 0.00 54.58 53.72 3kku n ASN 132 Cb 1.00 1.21 0.00 0.00 -0.61 0.00 0.00 39.78 41.39 3kku n ASN 132 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kku n GLY 133 N 1.50 -0.77 3.67 7.41 0.00 -0.58 -4.94 105.19 111.47 3kku n GLY 133 Ca 0.00 -2.23 -0.38 0.00 0.00 0.00 0.00 46.02 43.42 3kku n GLY 133 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kku n PRO 134 N -0.27 1.12 -4.75 1.61 -0.02 -1.26 -4.37 135.00 127.06 3kku n PRO 134 Ca 0.00 0.43 -0.28 0.00 -2.02 0.00 0.00 63.50 61.63 3kku n PRO 134 Cb 0.00 -2.35 -0.17 0.00 -0.02 0.00 0.00 33.50 30.96 3kku n PRO 134 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kku s VAL 135 N -1.42 1.54 0.19 -1.45 1.01 -0.53 -4.90 120.40 114.84 3kku s VAL 135 Ca 0.77 -0.70 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 3kku s VAL 135 Cb -0.41 -1.37 -0.08 0.00 0.00 0.00 0.00 36.38 34.51 3kku s VAL 135 CO 0.45 0.45 1.23 0.00 0.00 0.00 0.00 175.10 177.23 3kku s ALA 136 N 0.66 3.46 0.03 5.51 0.00 0.38 -0.40 121.76 131.40 3kku s ALA 136 Ca -0.14 1.01 0.01 0.00 0.00 0.00 0.00 51.96 52.84 3kku s ALA 136 Cb -0.16 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.50 3kku s ALA 136 CO 0.04 -0.43 -0.05 0.14 0.00 0.00 0.00 175.76 175.47 3kku s VAL 137 N -0.05 0.26 0.08 0.00 -7.23 -0.58 -0.72 120.40 112.16 3kku s VAL 137 Ca 0.54 -0.91 -0.17 0.00 -1.81 0.00 0.00 61.98 59.63 3kku s VAL 137 Cb -0.34 -0.37 -0.07 0.00 0.56 0.00 0.00 36.38 36.17 3kku s VAL 137 CO 0.38 -0.42 0.53 0.00 -0.31 0.00 0.00 175.10 175.27 3kku s ALA 138 N -1.34 3.61 0.14 1.32 0.00 -1.08 -0.90 121.76 123.52 3kku s ALA 138 Ca -0.13 -0.08 0.01 0.00 0.00 0.00 0.00 51.96 51.76 3kku s ALA 138 Cb -0.09 -2.54 -0.04 0.00 0.00 0.00 0.00 23.12 20.44 3kku s ALA 138 CO -0.00 0.44 0.01 0.14 0.00 0.00 0.00 175.76 176.35 3kku s VAL 139 N -1.22 0.45 -0.51 0.00 -7.23 0.27 -4.35 120.40 107.81 3kku s VAL 139 Ca 0.31 -1.94 -0.24 0.00 -1.81 0.00 0.00 61.98 58.29 3kku s VAL 139 Cb -0.17 -2.02 0.04 0.00 0.56 0.00 0.00 36.38 34.78 3kku s VAL 139 CO 0.18 -0.54 0.92 -0.62 -0.31 0.00 0.00 175.10 174.73 3kku s ASP 140 N -3.10 6.40 -0.08 4.85 3.68 0.42 -0.79 116.67 128.04 3kku s ASP 140 Ca 0.22 -0.18 0.18 0.00 2.13 0.00 0.00 52.55 54.90 3kku s ASP 140 Cb 0.07 -2.43 0.63 0.00 -1.45 0.00 0.00 42.92 39.73 3kku s ASP 140 CO 0.02 -1.13 1.54 0.00 0.13 0.00 0.00 175.17 175.72 3kku n ALA 141 N 7.28 2.78 0.20 3.66 0.00 -1.26 -4.62 120.51 128.55 3kku n ALA 141 Ca 0.03 -1.53 0.07 0.00 0.00 0.00 0.00 53.44 52.01 3kku n ALA 141 Cb 0.48 -0.88 0.57 0.00 0.00 0.00 0.00 19.45 19.63 3kku n ALA 141 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kku h SER 142 N 3.63 0.09 -0.50 0.00 4.64 -1.90 -1.04 113.55 118.48 3kku h SER 142 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kku h SER 142 Cb 1.24 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3kku h SER 142 CO 0.15 0.10 0.00 -1.54 -0.87 0.00 0.00 176.83 174.66 3kku n SER 143 N -4.49 4.20 -0.61 4.97 3.41 -1.26 -4.30 113.62 115.53 3kku n SER 143 Ca -0.02 -2.49 0.12 0.00 -0.26 0.00 0.00 58.87 56.23 3kku n SER 143 Cb 0.11 -0.56 0.40 0.00 -0.26 0.00 0.00 64.21 63.90 3kku n SER 143 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3kku n TRP 144 N 0.74 0.11 1.50 7.33 7.02 -0.39 -4.35 117.44 129.39 3kku n TRP 144 Ca 0.21 -0.06 0.07 0.00 -1.02 0.00 0.00 57.50 56.71 3kku n TRP 144 Cb 0.83 0.00 0.32 0.00 -2.42 0.00 0.00 31.31 30.04 3kku n TRP 144 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 3kku n MET 145 N 0.46 1.42 0.00 -0.99 2.81 -1.26 -2.80 117.12 116.76 3kku n MET 145 Ca 0.17 -0.64 0.00 0.00 -1.81 0.00 0.00 57.70 55.42 3kku n MET 145 Cb 0.39 -1.28 0.00 0.00 -0.71 0.00 0.00 33.22 31.63 3kku n MET 145 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3kku n THR 146 N -0.08 0.20 -2.02 2.03 -2.24 -1.26 -5.08 114.28 105.82 3kku n THR 146 Ca 0.12 -0.42 -0.42 0.00 -2.27 0.00 0.00 64.05 61.06 3kku n THR 146 Cb 0.19 1.15 -0.03 0.00 -2.10 0.00 0.00 70.33 69.54 3kku n THR 146 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3kku s TYR 147 N -0.20 2.94 -0.01 4.78 6.14 -1.12 -4.89 117.35 124.99 3kku s TYR 147 Ca 0.00 0.66 0.01 0.00 0.64 0.00 0.00 57.07 58.37 3kku s TYR 147 Cb 0.00 -3.85 0.01 0.00 0.42 0.00 0.00 41.96 38.55 3kku s TYR 147 CO 0.00 -3.16 0.84 0.25 0.64 0.00 0.00 175.55 174.12 3kku n THR 148 N 4.21 0.69 0.00 4.34 -2.24 -1.26 -4.02 114.28 116.00 3kku n THR 148 Ca 0.14 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 3kku n THR 148 Cb 0.40 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 3kku n THR 148 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kku n GLY 149 N -0.36 3.48 0.88 3.38 0.00 -1.26 -4.77 105.19 106.53 3kku n GLY 149 Ca 0.01 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.28 3kku n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kku n GLY 150 N -1.75 -2.98 3.54 -0.02 0.00 -1.26 -4.86 105.19 97.86 3kku n GLY 150 Ca 0.00 -1.91 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 3kku n GLY 150 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kku s VAL 151 N -0.60 5.21 0.07 1.61 1.01 -1.26 -4.11 120.40 122.32 3kku s VAL 151 Ca 0.00 -0.07 -0.31 0.00 0.00 0.00 0.00 61.98 61.60 3kku s VAL 151 Cb 0.00 -3.80 -0.07 0.00 0.00 0.00 0.00 36.38 32.52 3kku s VAL 151 CO 0.00 -0.08 1.39 -0.32 0.00 0.00 0.00 175.10 176.09 3kku s MET 152 N 1.92 4.31 0.00 2.72 0.00 -0.05 -4.80 119.30 123.39 3kku s MET 152 Ca 0.10 2.02 0.00 0.00 0.00 0.00 0.00 55.69 57.81 3kku s MET 152 Cb -0.17 -3.39 0.00 0.00 0.00 0.00 0.00 34.83 31.28 3kku s MET 152 CO 0.11 -0.48 0.21 0.25 0.00 0.00 0.00 175.02 175.11 3kku n THR 153 N 4.23 0.00 -2.37 10.11 -2.24 -1.26 -0.68 114.28 122.06 3kku n THR 153 Ca 0.12 -0.48 -0.12 0.00 -2.27 0.00 0.00 64.05 61.29 3kku n THR 153 Cb 0.43 1.01 0.04 0.00 -2.10 0.00 0.00 70.33 69.71 3kku n THR 153 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3kku n SER 154 N -0.54 3.34 -4.71 3.42 3.41 -1.26 -4.98 113.62 112.29 3kku n SER 154 Ca 0.00 -2.98 -0.43 0.00 -0.26 0.00 0.00 58.87 55.20 3kku n SER 154 Cb 0.00 -0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 63.52 3kku n SER 154 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kku s VAL 156 N 0.79 3.30 -0.54 0.00 1.01 -1.26 -4.35 120.40 119.36 3kku s VAL 156 Ca 0.73 0.64 0.07 0.00 0.00 0.00 0.00 61.98 63.42 3kku s VAL 156 Cb -0.54 -3.41 0.26 0.00 0.00 0.00 0.00 36.38 32.68 3kku s VAL 156 CO 0.38 -0.02 0.68 -1.20 0.00 0.00 0.00 175.10 174.94 3kku n SER 157 N 5.99 2.46 0.00 3.32 7.64 -1.26 -4.47 113.62 127.30 3kku n SER 157 Ca 0.16 -3.19 0.00 0.00 1.01 0.00 0.00 58.87 56.85 3kku n SER 157 Cb 0.42 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 3kku n SER 157 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3kku n GLU 158 N 0.94 1.78 -3.66 1.43 -0.58 -1.26 -4.80 120.64 114.49 3kku n GLU 158 Ca 0.27 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.93 3kku n GLU 158 Cb 0.46 -0.90 -0.09 0.00 -0.57 0.00 0.00 31.44 30.34 3kku n GLU 158 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3kku s GLN 159 N -1.80 0.36 0.30 3.49 0.74 -1.26 -5.12 119.66 116.37 3kku s GLN 159 Ca 0.00 1.08 -0.30 0.00 0.05 0.00 0.00 55.36 56.20 3kku s GLN 159 Cb 0.00 0.39 -0.12 0.00 1.10 0.00 0.00 33.01 34.38 3kku s GLN 159 CO 0.00 -0.24 1.46 1.28 -0.55 0.00 0.00 175.29 177.24 3kku n LEU 160 N 5.36 3.93 0.00 3.68 4.77 -1.26 -4.07 117.00 129.41 3kku n LEU 160 Ca -0.09 1.17 0.00 0.00 -0.03 0.00 0.00 56.01 57.06 3kku n LEU 160 Cb 0.50 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.05 3kku n LEU 160 CO -0.00 -0.15 0.00 -0.90 -1.33 0.00 0.00 177.39 175.01 3kku n ASP 161 N 1.59 0.00 -3.69 -1.43 3.85 0.03 -4.90 116.55 112.00 3kku n ASP 161 Ca 0.07 -0.96 -0.12 0.00 -0.71 0.00 0.00 54.79 53.08 3kku n ASP 161 Cb 0.36 0.00 -0.09 0.00 -1.35 0.00 0.00 41.12 40.03 3kku n ASP 161 CO 0.00 0.00 0.00 -2.28 -1.01 0.00 0.00 177.20 173.91 3kku s HIS 162 N 0.00 -0.63 -0.12 2.11 5.04 -0.67 -4.91 115.29 116.11 3kku s HIS 162 Ca 0.00 1.43 -0.10 0.00 -1.54 0.00 0.00 55.06 54.85 3kku s HIS 162 Cb 0.00 0.26 -0.05 0.00 0.04 0.00 0.00 32.58 32.83 3kku s HIS 162 CO 0.00 -0.32 0.22 0.20 -2.34 0.00 0.00 174.74 172.51 3kku s GLY 163 N 0.68 2.21 0.09 1.59 0.00 -1.26 -0.56 107.32 110.07 3kku s GLY 163 Ca -0.03 -0.53 0.01 0.00 0.00 0.00 0.00 44.72 44.17 3kku s GLY 163 CO -0.05 -0.04 0.09 3.33 0.00 0.00 0.00 173.10 176.44 3kku n VAL 164 N 2.49 0.00 -3.75 1.40 0.24 -0.08 -4.51 118.33 114.12 3kku n VAL 164 Ca -0.17 -0.54 -0.25 0.00 -2.04 0.00 0.00 64.34 61.34 3kku n VAL 164 Cb 0.53 0.29 -0.17 0.00 -1.47 0.00 0.00 33.84 33.03 3kku n VAL 164 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3kku s LEU 165 N 0.00 0.78 0.01 1.34 2.96 -0.97 -1.52 118.68 121.28 3kku s LEU 165 Ca 0.09 -0.35 -0.30 0.00 -0.22 0.00 0.00 54.13 53.35 3kku s LEU 165 Cb 0.00 -0.49 -0.05 0.00 0.50 0.00 0.00 46.19 46.15 3kku s LEU 165 CO 0.06 -0.24 1.33 -0.76 -1.32 0.00 0.00 176.35 175.42 3kku s LEU 166 N 1.94 4.32 0.00 -0.68 1.43 0.47 -0.58 118.68 125.59 3kku s LEU 166 Ca 0.03 2.06 0.04 0.00 -1.03 0.00 0.00 54.13 55.23 3kku s LEU 166 Cb -0.14 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.51 3kku s LEU 166 CO -0.06 -0.65 0.35 1.33 0.23 0.00 0.00 176.35 177.55 3kku n VAL 167 N 4.46 0.00 -1.12 -1.59 0.24 0.00 -1.45 118.33 118.88 3kku n VAL 167 Ca 0.12 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 3kku n VAL 167 Cb 0.44 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.85 3kku n VAL 167 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kku n GLY 168 N 0.71 -1.31 3.63 7.63 0.00 -1.18 -0.92 105.19 113.76 3kku n GLY 168 Ca 0.01 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 3kku n GLY 168 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kku s TYR 169 N -2.36 -0.37 -0.22 1.61 -0.85 0.05 -0.83 117.35 114.38 3kku s TYR 169 Ca 0.00 0.05 -0.04 0.00 -0.52 0.00 0.00 57.07 56.56 3kku s TYR 169 Cb 0.00 0.63 0.10 0.00 0.38 0.00 0.00 41.96 43.07 3kku s TYR 169 CO 0.00 -1.02 0.20 1.21 -1.52 0.00 0.00 175.55 174.42 3kku s ASN 170 N -2.83 1.84 0.00 -0.18 3.84 -0.01 -1.20 114.94 116.40 3kku s ASN 170 Ca 0.06 -0.50 0.27 0.00 0.21 0.00 0.00 52.86 52.89 3kku s ASN 170 Cb -0.03 0.22 0.85 0.00 -0.55 0.00 0.00 41.25 41.74 3kku s ASN 170 CO -0.04 -0.35 1.64 0.47 -2.79 0.00 0.00 177.10 176.03 3kku n ASP 171 N 5.30 0.47 0.03 -4.21 10.43 0.11 -1.52 116.55 127.17 3kku n ASP 171 Ca -0.05 -0.27 0.12 0.00 2.57 0.00 0.00 54.79 57.15 3kku n ASP 171 Cb 0.48 0.01 0.10 0.00 1.84 0.00 0.00 41.12 43.55 3kku n ASP 171 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 3kku n SER 172 N -1.25 0.63 -4.75 -2.24 3.41 -1.26 -4.72 113.62 103.45 3kku n SER 172 Ca 0.09 -0.15 -0.31 0.00 -0.26 0.00 0.00 58.87 58.24 3kku n SER 172 Cb 0.32 0.52 0.11 0.00 -0.26 0.00 0.00 64.21 64.90 3kku n SER 172 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kku s ALA 173 N -3.14 2.08 0.32 7.33 0.00 -1.26 -4.92 121.76 122.17 3kku s ALA 173 Ca 0.06 0.26 0.03 0.00 0.00 0.00 0.00 51.96 52.31 3kku s ALA 173 Cb 0.15 -3.28 0.62 0.00 0.00 0.00 0.00 23.12 20.61 3kku s ALA 173 CO 0.76 -1.95 1.91 0.00 0.00 0.00 0.00 175.76 176.48 3kku h ALA 174 N -1.26 1.61 -3.63 0.00 0.00 -1.94 -3.18 119.26 110.86 3kku h ALA 174 Ca -0.44 -0.01 -0.68 0.00 0.00 0.00 0.00 54.91 53.78 3kku h ALA 174 Cb 1.24 -0.23 -0.35 0.00 0.00 0.00 0.00 17.79 18.46 3kku h ALA 174 CO 0.51 0.24 -0.73 0.08 0.00 0.00 0.00 179.25 179.35 3kku s VAL 175 N -5.82 2.66 0.47 0.00 1.01 -1.26 -5.11 120.40 112.34 3kku s VAL 175 Ca -0.11 -1.59 -0.24 0.00 0.00 0.00 0.00 61.98 60.05 3kku s VAL 175 Cb 0.20 -2.59 -0.08 0.00 0.00 0.00 0.00 36.38 33.91 3kku s VAL 175 CO 0.79 -0.15 1.18 -2.65 0.00 0.00 0.00 175.10 174.27 3kku n PRO 176 N 4.52 1.60 -3.99 2.72 -0.02 -1.20 -4.88 135.00 133.75 3kku n PRO 176 Ca -0.12 0.58 -0.08 0.00 -2.02 0.00 0.00 63.50 61.86 3kku n PRO 176 Cb 0.43 -2.30 -0.09 0.00 -0.02 0.00 0.00 33.50 31.52 3kku n PRO 176 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3kku s TYR 177 N -1.28 0.35 0.20 6.00 -0.85 -0.57 -0.76 117.35 120.44 3kku s TYR 177 Ca 0.65 -0.82 -0.05 0.00 -0.52 0.00 0.00 57.07 56.33 3kku s TYR 177 Cb -0.49 -0.25 -0.06 0.00 0.38 0.00 0.00 41.96 41.55 3kku s TYR 177 CO 0.55 -0.42 0.45 -1.58 -1.52 0.00 0.00 175.55 173.02 3kku s TRP 178 N -3.63 3.46 -0.21 -3.49 0.52 0.23 -0.83 118.94 115.00 3kku s TRP 178 Ca 0.04 0.61 -0.04 0.00 0.02 0.00 0.00 56.10 56.73 3kku s TRP 178 Cb 0.05 -2.06 -0.02 0.00 -1.15 0.00 0.00 33.47 30.30 3kku s TRP 178 CO -0.09 0.34 -0.03 0.42 0.02 0.00 0.00 176.95 177.61 3kku s ILE 179 N -1.80 3.63 -0.10 2.03 1.01 -0.01 -2.25 121.20 123.71 3kku s ILE 179 Ca 0.43 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.68 3kku s ILE 179 Cb -0.11 -2.64 0.01 0.00 0.01 0.00 0.00 42.46 39.73 3kku s ILE 179 CO 0.25 0.43 -0.16 -0.63 0.00 0.00 0.00 174.94 174.83 3kku s ILE 180 N 1.21 1.51 -0.10 2.92 1.01 -0.03 -0.81 121.20 126.91 3kku s ILE 180 Ca 0.03 -0.67 -0.28 0.00 0.00 0.00 0.00 60.65 59.74 3kku s ILE 180 Cb -0.14 -1.37 -0.02 0.00 0.01 0.00 0.00 42.46 40.94 3kku s ILE 180 CO -0.00 0.44 0.92 -0.75 0.00 0.00 0.00 174.94 175.55 3kku s LYS 181 N 0.84 4.41 0.40 2.79 2.20 0.26 -1.24 119.74 129.40 3kku s LYS 181 Ca -0.10 1.24 0.05 0.00 -0.36 0.00 0.00 55.97 56.81 3kku s LYS 181 Cb -0.15 -3.53 0.05 0.00 -1.51 0.00 0.00 37.83 32.69 3kku s LYS 181 CO 0.01 -0.24 0.45 -1.71 -0.36 0.00 0.00 175.35 173.50 3kku n ASN 182 N 4.76 1.80 -2.30 1.43 2.85 -0.98 -2.29 115.26 120.53 3kku n ASN 182 Ca 0.06 -2.19 -0.18 0.00 -0.11 0.00 0.00 54.58 52.16 3kku n ASN 182 Cb 0.49 -0.19 0.03 0.00 1.24 0.00 0.00 39.78 41.35 3kku n ASN 182 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 3kku n SER 183 N -2.26 3.93 -0.97 1.20 3.41 -1.26 -4.43 113.62 113.24 3kku n SER 183 Ca 0.06 -3.28 -0.01 0.00 -0.26 0.00 0.00 58.87 55.38 3kku n SER 183 Cb 0.43 -0.40 0.18 0.00 -0.26 0.00 0.00 64.21 64.17 3kku n SER 183 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3kku n TRP 184 N -0.63 0.70 -0.67 7.33 8.01 -1.18 -1.19 117.44 129.82 3kku n TRP 184 Ca 0.33 -1.65 0.08 0.00 -1.31 0.00 0.00 57.50 54.96 3kku n TRP 184 Cb 0.89 -0.36 -0.03 0.00 -2.01 0.00 0.00 31.31 29.80 3kku n TRP 184 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 3kku n THR 185 N -1.07 -0.07 0.99 -0.99 -2.24 -0.27 -4.14 114.28 106.49 3kku n THR 185 Ca 0.27 0.26 0.11 0.00 -2.27 0.00 0.00 64.05 62.42 3kku n THR 185 Cb 0.83 -0.48 0.54 0.00 -2.10 0.00 0.00 70.33 69.11 3kku n THR 185 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3kku n THR 186 N -3.30 0.35 1.52 4.28 -2.24 -1.26 -3.42 114.28 110.20 3kku n THR 186 Ca -0.02 0.09 0.11 0.00 -2.27 0.00 0.00 64.05 61.95 3kku n THR 186 Cb 0.31 -0.72 0.48 0.00 -2.10 0.00 0.00 70.33 68.30 3kku n THR 186 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kku n GLN 187 N -1.32 1.48 -4.73 -0.78 1.13 -1.26 -3.13 117.38 108.77 3kku n GLN 187 Ca 0.10 -0.71 -0.31 0.00 -1.94 0.00 0.00 57.00 54.13 3kku n GLN 187 Cb 0.19 -1.38 -0.13 0.00 0.11 0.00 0.00 30.24 29.03 3kku n GLN 187 CO 0.00 0.00 0.00 -0.46 -1.44 0.00 0.00 177.06 175.16 3kku s TRP 188 N -1.89 2.62 0.00 1.08 -0.00 -1.22 -4.99 118.94 114.54 3kku s TRP 188 Ca 0.33 -0.22 0.00 0.00 -0.00 0.00 0.00 56.10 56.21 3kku s TRP 188 Cb 0.17 -1.52 0.00 0.00 -0.00 0.00 0.00 33.47 32.12 3kku s TRP 188 CO 0.26 0.23 0.00 0.41 -0.00 0.00 0.00 176.95 177.86 3kku n GLY 189 N 1.78 1.28 3.35 5.86 0.00 -1.26 -0.48 105.19 115.72 3kku n GLY 189 Ca -0.16 -0.69 -0.46 0.00 0.00 0.00 0.00 46.02 44.71 3kku n GLY 189 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kku s GLU 190 N 0.00 3.84 -1.49 1.61 2.02 0.44 -4.44 118.70 120.68 3kku s GLU 190 Ca 0.00 -2.69 -0.12 0.00 0.02 0.00 0.00 54.97 52.17 3kku s GLU 190 Cb 0.00 -4.54 0.08 0.00 0.10 0.00 0.00 34.13 29.78 3kku s GLU 190 CO 0.00 -1.33 0.82 0.39 0.02 0.00 0.00 175.26 175.16 3kku n GLU 191 N 3.76 -4.77 -0.13 1.61 -0.58 -1.25 -1.69 120.64 117.59 3kku n GLU 191 Ca 0.19 0.58 0.00 0.00 -0.42 0.00 0.00 57.16 57.51 3kku n GLU 191 Cb 0.44 -5.41 0.00 0.00 -0.57 0.00 0.00 31.44 25.90 3kku n GLU 191 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kku n GLY 192 N -1.53 0.56 3.70 0.62 0.00 0.37 -4.57 105.19 104.34 3kku n GLY 192 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 3kku n GLY 192 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kku s TYR 193 N -2.29 2.79 0.02 1.61 2.02 -0.68 -2.32 117.35 118.50 3kku s TYR 193 Ca 0.00 -0.22 0.04 0.00 -0.37 0.00 0.00 57.07 56.52 3kku s TYR 193 Cb 0.00 -1.32 -0.02 0.00 -0.40 0.00 0.00 41.96 40.23 3kku s TYR 193 CO 0.00 0.55 -0.13 -1.50 -1.57 0.00 0.00 175.55 172.90 3kku s ILE 194 N -2.30 1.01 -0.22 2.71 2.07 -0.37 -0.42 121.20 123.68 3kku s ILE 194 Ca 0.33 -0.80 -0.08 0.00 -1.41 0.00 0.00 60.65 58.69 3kku s ILE 194 Cb -0.06 -0.89 -0.04 0.00 0.13 0.00 0.00 42.46 41.60 3kku s ILE 194 CO 0.22 0.09 0.10 -0.13 -1.91 0.00 0.00 174.94 173.30 3kku s ARG 195 N -0.80 3.92 0.08 3.50 0.52 -1.26 -0.85 118.95 124.06 3kku s ARG 195 Ca 0.02 -0.36 0.09 0.00 -0.52 0.00 0.00 55.73 54.97 3kku s ARG 195 Cb -0.07 -3.35 -0.04 0.00 0.52 0.00 0.00 34.95 32.02 3kku s ARG 195 CO 0.01 0.08 -0.22 0.96 0.02 0.00 0.00 175.30 176.14 3kku s ILE 196 N 0.94 2.54 0.57 1.52 -4.36 -0.95 -0.87 121.20 120.59 3kku s ILE 196 Ca 0.05 -1.45 -0.20 0.00 -0.26 0.00 0.00 60.65 58.79 3kku s ILE 196 Cb -0.14 -2.10 -0.05 0.00 1.25 0.00 0.00 42.46 41.43 3kku s ILE 196 CO 0.03 0.22 1.11 0.00 0.24 0.00 0.00 174.94 176.54 3kku n ALA 197 N 1.24 0.66 -2.86 2.27 0.00 0.14 -0.60 120.51 121.37 3kku n ALA 197 Ca -0.17 0.06 -0.33 0.00 0.00 0.00 0.00 53.44 53.01 3kku n ALA 197 Cb 0.52 -2.20 -0.14 0.00 0.00 0.00 0.00 19.45 17.64 3kku n ALA 197 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3kku s LYS 198 N -2.78 3.11 0.00 0.00 2.20 0.06 -4.42 119.74 117.92 3kku s LYS 198 Ca 0.74 -0.66 0.00 0.00 -0.36 0.00 0.00 55.97 55.69 3kku s LYS 198 Cb -0.43 -2.58 0.00 0.00 -1.51 0.00 0.00 37.83 33.31 3kku s LYS 198 CO 0.48 0.37 0.00 0.41 -0.36 0.00 0.00 175.35 176.25 3kku n GLY 199 N 3.08 0.76 0.15 5.54 0.00 -1.26 -4.75 105.19 108.70 3kku n GLY 199 Ca -0.18 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.91 3kku n GLY 199 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kku n SER 200 N 0.00 1.79 -3.76 1.61 3.41 -1.26 -4.99 113.62 110.42 3kku n SER 200 Ca 0.00 -2.73 -0.28 0.00 -0.26 0.00 0.00 58.87 55.59 3kku n SER 200 Cb 0.00 -0.34 0.03 0.00 -0.26 0.00 0.00 64.21 63.64 3kku n SER 200 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3kku n ASN 201 N -1.04 -4.99 -4.68 4.04 5.15 -1.26 -4.88 115.26 107.60 3kku n ASN 201 Ca 0.11 -0.68 -0.45 0.00 -0.60 0.00 0.00 54.58 52.96 3kku n ASN 201 Cb 0.62 -3.99 -0.04 0.00 -0.53 0.00 0.00 39.78 35.84 3kku n ASN 201 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kku n GLN 202 N -4.58 2.21 -1.34 1.20 1.13 -1.26 -1.48 117.38 113.26 3kku n GLN 202 Ca 0.02 0.79 -0.12 0.00 -1.94 0.00 0.00 57.00 55.76 3kku n GLN 202 Cb 0.54 -2.55 -0.05 0.00 0.11 0.00 0.00 30.24 28.29 3kku n GLN 202 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3kku n LEU 204 N -1.34 -1.55 0.25 0.00 4.77 -0.55 -0.44 117.00 118.14 3kku n LEU 204 Ca -0.12 0.12 0.16 0.00 -0.03 0.00 0.00 56.01 56.15 3kku n LEU 204 Cb 0.49 -2.37 0.88 0.00 -2.33 0.00 0.00 43.42 40.09 3kku n LEU 204 CO 0.18 -0.40 1.14 1.62 -1.33 0.00 0.00 177.39 178.60 3kku h VAL 205 N 0.00 0.50 0.00 4.08 3.04 -1.54 -1.72 116.25 120.60 3kku h VAL 205 Ca -0.37 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 3kku h VAL 205 Cb 1.21 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 31.41 3kku h VAL 205 CO 0.46 0.00 0.00 2.29 -1.01 0.00 0.00 177.57 179.31 3kku n LYS 206 N -3.82 0.18 0.06 4.17 2.85 -1.26 -4.42 118.16 115.91 3kku n LYS 206 Ca -0.01 0.15 -0.07 0.00 -1.05 0.00 0.00 58.31 57.34 3kku n LYS 206 Cb 0.20 -1.71 0.09 0.00 -0.65 0.00 0.00 35.03 32.96 3kku n LYS 206 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 3kku h GLU 207 N 0.00 0.34 -1.34 -1.58 5.08 -1.59 -3.38 114.58 112.11 3kku h GLU 207 Ca 0.00 -0.24 -0.43 0.00 -1.00 0.00 0.00 59.36 57.69 3kku h GLU 207 Cb 0.65 0.04 -0.30 0.00 0.50 0.00 0.00 28.75 29.64 3kku h GLU 207 CO 0.00 0.85 -0.87 -1.91 -1.00 0.00 0.00 179.01 176.08 3kku n GLU 208 N -3.89 0.67 -3.98 2.33 2.13 -1.26 -4.87 120.64 111.77 3kku n GLU 208 Ca -0.03 -2.68 -0.36 0.00 0.66 0.00 0.00 57.16 54.76 3kku n GLU 208 Cb 0.63 -1.35 -0.08 0.00 0.27 0.00 0.00 31.44 30.91 3kku n GLU 208 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3kku s ALA 209 N -0.35 3.64 0.13 4.31 0.00 -1.26 -2.62 121.76 125.61 3kku s ALA 209 Ca 0.34 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 51.49 3kku s ALA 209 Cb 0.17 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.40 3kku s ALA 209 CO -0.16 0.46 0.29 -1.12 0.00 0.00 0.00 175.76 175.23 3kku s SER 210 N -0.51 0.00 -0.14 0.00 0.01 0.10 -0.87 113.70 112.28 3kku s SER 210 Ca 0.11 -0.67 -0.19 0.00 1.31 0.00 0.00 55.95 56.51 3kku s SER 210 Cb -0.12 0.42 0.05 0.00 0.21 0.00 0.00 66.02 66.58 3kku s SER 210 CO 0.02 -0.84 0.50 -0.55 0.41 0.00 0.00 173.24 172.78 3kku s SER 211 N -2.90 -0.49 0.65 2.44 0.15 -0.33 -0.47 113.70 112.75 3kku s SER 211 Ca 0.10 0.84 -0.16 0.00 0.70 0.00 0.00 55.95 57.42 3kku s SER 211 Cb 0.03 0.86 -0.00 0.00 -1.71 0.00 0.00 66.02 65.20 3kku s SER 211 CO -0.06 -0.28 1.15 0.00 1.20 0.00 0.00 173.24 175.25 3kku s ALA 212 N -0.17 2.43 -0.32 5.45 0.00 -1.26 -0.04 121.76 127.85 3kku s ALA 212 Ca -0.04 0.72 -0.05 0.00 0.00 0.00 0.00 51.96 52.60 3kku s ALA 212 Cb -0.03 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.75 3kku s ALA 212 CO 0.02 -1.33 0.07 0.08 0.00 0.00 0.00 175.76 174.61 3kku s VAL 213 N -2.08 3.54 0.25 0.00 1.01 0.21 -4.81 120.40 118.53 3kku s VAL 213 Ca 0.71 -1.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 3kku s VAL 213 Cb -0.24 -2.99 -0.09 0.00 0.00 0.00 0.00 36.38 33.06 3kku s VAL 213 CO 0.39 -0.12 1.08 -0.69 0.00 0.00 0.00 175.10 175.76 3kku s VAL 214 N 1.37 3.64 0.00 2.92 1.01 -1.26 -0.85 120.40 127.23 3kku s VAL 214 Ca -0.02 1.60 0.00 0.00 0.00 0.00 0.00 61.98 63.56 3kku s VAL 214 Cb -0.19 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.17 3kku s VAL 214 CO 0.01 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.08