#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kip s LEU 0 N 0.00 2.87 0.28 1.08 1.43 -1.26 -4.44 118.68 118.64 3kip s LEU 0 Ca 0.00 2.19 -0.27 0.00 -1.03 0.00 0.00 54.13 55.02 3kip s LEU 0 Cb 0.00 -4.57 -0.09 0.00 0.03 0.00 0.00 46.19 41.56 3kip s LEU 0 CO 0.00 -3.03 0.91 -0.69 0.23 0.00 0.00 176.35 173.77 3kip s VAL 1 N -2.63 4.21 -0.14 -1.59 1.01 -0.65 -4.97 120.40 115.65 3kip s VAL 1 Ca 0.67 1.85 0.02 0.00 0.00 0.00 0.00 61.98 64.51 3kip s VAL 1 Cb -0.23 -4.10 -0.09 0.00 0.00 0.00 0.00 36.38 31.95 3kip s VAL 1 CO 0.57 0.29 -0.11 0.29 0.00 0.00 0.00 175.10 176.14 3kip n LYS 2 N 0.94 0.45 -3.96 2.72 4.76 -1.26 -4.70 118.16 117.10 3kip n LYS 2 Ca -0.00 0.08 -0.34 0.00 -2.87 0.00 0.00 58.31 55.17 3kip n LYS 2 Cb 0.49 -1.28 -0.14 0.00 -1.84 0.00 0.00 35.03 32.26 3kip n LYS 2 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3kip s LYS 3 N -2.28 2.53 0.01 1.97 2.20 -1.26 -0.99 119.74 121.92 3kip s LYS 3 Ca -0.18 -1.18 0.06 0.00 -0.36 0.00 0.00 55.97 54.31 3kip s LYS 3 Cb 0.05 -3.05 -0.03 0.00 -1.51 0.00 0.00 37.83 33.29 3kip s LYS 3 CO 0.33 -0.53 -0.18 0.08 -0.36 0.00 0.00 175.35 174.68 3kip s VAL 4 N 1.24 2.76 -0.24 4.02 1.01 -0.39 -0.87 120.40 127.94 3kip s VAL 4 Ca -0.04 -1.08 -0.02 0.00 0.00 0.00 0.00 61.98 60.84 3kip s VAL 4 Cb -0.19 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.09 3kip s VAL 4 CO -0.03 0.42 -0.06 -0.22 0.00 0.00 0.00 175.10 175.21 3kip s LEU 5 N -1.19 3.13 -0.20 3.92 2.96 -0.04 -1.45 118.68 125.82 3kip s LEU 5 Ca 0.13 -0.78 -0.29 0.00 -0.22 0.00 0.00 54.13 52.98 3kip s LEU 5 Cb -0.10 -1.68 0.00 0.00 0.50 0.00 0.00 46.19 44.91 3kip s LEU 5 CO 0.03 -0.11 1.02 -0.22 -1.32 0.00 0.00 176.35 175.76 3kip s LEU 6 N 1.36 4.14 -0.14 -0.68 2.96 0.01 -1.72 118.68 124.60 3kip s LEU 6 Ca 0.01 1.41 -0.00 0.00 -0.22 0.00 0.00 54.13 55.33 3kip s LEU 6 Cb -0.16 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 42.98 3kip s LEU 6 CO -0.04 -0.61 -0.13 -0.63 -1.32 0.00 0.00 176.35 173.62 3kip s ILE 7 N 2.89 3.04 -0.10 6.68 1.01 0.08 -0.41 121.20 134.40 3kip s ILE 7 Ca 0.45 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 60.46 3kip s ILE 7 Cb -0.16 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.01 3kip s ILE 7 CO 0.09 0.52 -0.16 0.20 0.00 0.00 0.00 174.94 175.59 3kip s ASN 8 N 0.47 3.80 0.10 3.58 -0.87 0.14 -0.93 114.94 121.23 3kip s ASN 8 Ca -0.09 -0.34 0.00 0.00 -1.57 0.00 0.00 52.86 50.86 3kip s ASN 8 Cb -0.16 -1.28 0.00 0.00 -0.02 0.00 0.00 41.25 39.79 3kip s ASN 8 CO 0.04 0.22 0.00 0.61 -2.57 0.00 0.00 177.10 175.41 3kip n GLY 9 N 3.11 0.60 3.37 0.66 0.00 0.43 -1.76 105.19 111.61 3kip n GLY 9 Ca -0.18 -1.86 -0.40 0.00 0.00 0.00 0.00 46.02 43.59 3kip n GLY 9 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kip n PRO 10 N -0.21 0.29 0.00 1.61 -0.02 -1.14 -2.98 135.00 132.56 3kip n PRO 10 Ca 0.00 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 3kip n PRO 10 Cb 0.00 -1.33 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 3kip n PRO 10 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3kip n ASN 11 N 1.58 0.00 0.26 2.55 3.02 -1.26 -4.70 115.26 116.70 3kip n ASN 11 Ca 0.10 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.82 3kip n ASN 11 Cb 0.44 -0.01 0.88 0.00 -0.61 0.00 0.00 39.78 40.49 3kip n ASN 11 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3kip h LEU 12 N 0.00 0.00 -1.99 3.41 3.38 -1.91 0.56 115.31 118.76 3kip h LEU 12 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3kip h LEU 12 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kip h LEU 12 CO 0.00 0.00 0.35 -0.55 0.09 0.00 0.00 178.44 178.33 3kip h ASN 13 N 0.00 0.00 0.25 -0.43 -1.07 -1.85 -2.73 115.58 109.76 3kip h ASN 13 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.41 3kip h ASN 13 Cb 0.23 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.48 3kip h ASN 13 CO -0.00 0.00 -0.08 0.18 0.07 0.00 0.00 177.43 177.60 3kip n LEU 14 N -2.97 0.55 -4.73 6.14 4.77 0.20 -4.67 117.00 116.29 3kip n LEU 14 Ca -0.01 -0.07 -0.40 0.00 -0.03 0.00 0.00 56.01 55.50 3kip n LEU 14 Cb 0.40 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.32 3kip n LEU 14 CO 0.15 0.10 0.52 -1.48 -1.33 0.00 0.00 177.39 175.35 3kip s LEU 15 N -2.34 4.41 -0.22 2.23 2.34 -1.03 -1.13 118.68 122.95 3kip s LEU 15 Ca 0.33 1.49 0.01 0.00 0.06 0.00 0.00 54.13 56.02 3kip s LEU 15 Cb 0.20 -3.32 0.05 0.00 -0.56 0.00 0.00 46.19 42.56 3kip s LEU 15 CO 0.44 -0.08 -0.11 -0.83 -1.06 0.00 0.00 176.35 174.71 3kip s GLY 16 N 0.34 1.40 0.00 -3.48 0.00 -1.15 -2.95 107.32 101.48 3kip s GLY 16 Ca 0.42 -1.39 0.14 0.00 0.00 0.00 0.00 44.72 43.89 3kip s GLY 16 CO 0.24 0.66 0.99 2.41 0.00 0.00 0.00 173.10 177.40 3kip n THR 17 N 4.60 0.09 0.00 0.90 -1.04 -0.28 -4.76 114.28 113.79 3kip n THR 17 Ca -0.15 -0.55 0.00 0.00 -2.04 0.00 0.00 64.05 61.32 3kip n THR 17 Cb 0.45 1.23 0.00 0.00 -1.82 0.00 0.00 70.33 70.19 3kip n THR 17 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 3kip n ARG 18 N 0.81 0.00 -0.00 -2.82 0.63 -1.26 -5.20 116.66 108.81 3kip n ARG 18 Ca 0.09 0.36 0.07 0.00 -0.92 0.00 0.00 57.85 57.45 3kip n ARG 18 Cb 0.37 -1.12 -0.10 0.00 0.45 0.00 0.00 32.46 32.06 3kip n ARG 18 CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10 3kip n TYR 23 N -1.57 0.00 -3.89 -0.14 9.36 -1.26 -5.10 117.16 114.56 3kip n TYR 23 Ca 0.00 0.00 -0.30 0.00 3.32 0.00 0.00 57.90 60.92 3kip n TYR 23 Cb 0.00 -0.18 -0.04 0.00 -0.63 0.00 0.00 39.34 38.49 3kip n TYR 23 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 3kip s GLY 24 N -3.06 2.12 0.00 2.98 0.00 -1.26 -5.00 107.32 103.10 3kip s GLY 24 Ca -0.00 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 43.89 3kip s GLY 24 CO 0.60 -0.81 0.11 -1.30 0.00 0.00 0.00 173.10 171.71 3kip n THR 25 N 0.12 0.00 -2.15 0.90 -2.24 -1.26 -4.52 114.28 105.13 3kip n THR 25 Ca -0.05 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.30 3kip n THR 25 Cb 0.52 -0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 68.50 3kip n THR 25 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3kip s THR 26 N -1.42 3.78 0.49 4.28 2.01 -1.26 -4.54 115.64 118.99 3kip s THR 26 Ca 0.00 0.91 0.02 0.00 0.31 0.00 0.00 61.69 62.93 3kip s THR 26 Cb 0.00 -3.71 0.02 0.00 0.01 0.00 0.00 72.50 68.82 3kip s THR 26 CO 0.00 -0.21 0.70 -0.94 -0.69 0.00 0.00 174.62 173.48 3kip s SER 27 N 3.54 5.53 0.37 3.53 1.04 -1.26 -2.91 113.70 123.55 3kip s SER 27 Ca 0.68 0.03 0.10 0.00 0.48 0.00 0.00 55.95 57.24 3kip s SER 27 Cb -0.26 -1.08 0.72 0.00 0.10 0.00 0.00 66.02 65.50 3kip s SER 27 CO 0.27 -0.92 1.86 0.25 0.98 0.00 0.00 173.24 175.68 3kip h LEU 28 N 0.29 0.17 -0.89 2.42 5.85 -1.76 -2.19 115.31 119.20 3kip h LEU 28 Ca -0.43 -0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.12 3kip h LEU 28 Cb 1.28 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 3kip h LEU 28 CO 0.53 0.41 -0.55 -1.28 -0.34 0.00 0.00 178.44 177.22 3kip h SER 29 N 0.16 0.02 -0.63 1.25 0.87 -1.93 -0.77 113.55 112.52 3kip h SER 29 Ca 0.03 -0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.52 3kip h SER 29 Cb 0.50 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.43 3kip h SER 29 CO 0.03 0.56 0.20 0.44 -0.53 0.00 0.00 176.83 177.54 3kip h ASP 30 N 0.02 0.94 -0.11 6.23 3.32 -1.78 -0.50 116.42 124.55 3kip h ASP 30 Ca -0.00 -0.17 -0.08 0.00 0.02 0.00 0.00 57.03 56.80 3kip h ASP 30 Cb 0.97 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.28 3kip h ASP 30 CO 0.07 0.89 -0.24 0.40 -1.72 0.00 0.00 179.24 178.64 3kip h ILE 31 N 0.98 1.39 -0.48 0.35 2.04 -1.30 -1.67 117.51 118.81 3kip h ILE 31 Ca 0.22 -1.53 0.09 0.00 1.00 0.00 0.00 64.86 64.64 3kip h ILE 31 Cb 0.28 2.10 -0.08 0.00 -0.74 0.00 0.00 36.82 38.39 3kip h ILE 31 CO -0.01 0.44 0.03 -0.33 0.00 0.00 0.00 178.15 178.28 3kip h GLU 32 N -0.08 0.14 -0.18 2.37 5.08 -1.03 -1.39 114.58 119.50 3kip h GLU 32 Ca 0.00 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 3kip h GLU 32 Cb 0.83 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.05 3kip h GLU 32 CO 0.05 0.09 -0.32 1.96 -1.00 0.00 0.00 179.01 179.79 3kip h GLN 33 N 0.14 0.53 -0.79 2.33 1.08 -1.00 -2.46 115.11 114.94 3kip h GLN 33 Ca 0.24 -0.33 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 3kip h GLN 33 Cb 0.35 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.78 3kip h GLN 33 CO -0.37 0.94 0.51 0.00 -0.95 0.00 0.00 178.83 178.95 3kip h ALA 34 N 0.59 1.01 0.21 3.87 0.00 -1.12 -2.06 119.26 121.76 3kip h ALA 34 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kip h ALA 34 Cb 0.91 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3kip h ALA 34 CO 0.07 0.44 -0.21 0.00 0.00 0.00 0.00 179.25 179.55 3kip h ALA 35 N 1.28 -0.42 -0.85 0.00 0.00 -1.22 0.55 119.26 118.60 3kip h ALA 35 Ca 0.29 -0.06 0.22 0.00 0.00 0.00 0.00 54.91 55.35 3kip h ALA 35 Cb -0.10 0.30 -0.14 0.00 0.00 0.00 0.00 17.79 17.85 3kip h ALA 35 CO -0.06 -0.77 0.19 0.82 0.00 0.00 0.00 179.25 179.43 3kip h ILE 36 N -0.45 0.33 0.00 0.00 2.04 -1.18 -1.75 117.51 116.50 3kip h ILE 36 Ca -0.00 -0.07 -0.09 0.00 1.00 0.00 0.00 64.86 65.70 3kip h ILE 36 Cb 0.42 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 3kip h ILE 36 CO -0.05 0.04 -0.44 -0.08 0.00 0.00 0.00 178.15 177.62 3kip h GLU 37 N 0.19 0.00 -0.01 2.37 4.57 -1.08 -2.53 114.58 118.10 3kip h GLU 37 Ca 0.52 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 58.47 3kip h GLU 37 Cb 1.01 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.60 3kip h GLU 37 CO -0.65 0.44 -0.93 0.37 -1.18 0.00 0.00 179.01 177.06 3kip h GLN 38 N 0.00 0.44 0.55 1.92 4.15 0.03 -2.64 115.11 119.56 3kip h GLN 38 Ca -0.00 -0.46 -0.03 0.00 0.77 0.00 0.00 58.65 58.93 3kip h GLN 38 Cb 1.10 0.13 0.01 0.00 0.21 0.00 0.00 27.48 28.92 3kip h GLN 38 CO 0.06 1.11 -0.26 0.00 -1.93 0.00 0.00 178.83 177.81 3kip h ALA 39 N 0.73 -0.74 -0.74 3.38 0.00 -1.39 -3.26 119.26 117.25 3kip h ALA 39 Ca -0.08 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.76 3kip h ALA 39 Cb 1.56 0.28 -0.12 0.00 0.00 0.00 0.00 17.79 19.52 3kip h ALA 39 CO 0.16 -0.72 -0.28 1.17 0.00 0.00 0.00 179.25 179.58 3kip n LYS 40 N -5.28 -0.17 -0.14 0.00 3.00 -0.97 -1.23 118.16 113.37 3kip n LYS 40 Ca -0.10 1.13 0.00 0.00 -0.00 0.00 0.00 58.31 59.34 3kip n LYS 40 Cb 0.32 -1.68 0.00 0.00 0.00 0.00 0.00 35.03 33.66 3kip n LYS 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3kip n LEU 41 N -5.09 2.09 0.00 3.14 4.77 -1.00 -2.04 117.00 118.87 3kip n LEU 41 Ca 0.08 -0.97 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 3kip n LEU 41 Cb 0.30 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3kip n LEU 41 CO -0.10 0.38 0.04 0.29 -1.33 0.00 0.00 177.39 176.67 3kip n LYS 42 N 1.34 5.14 0.00 3.23 4.76 -0.37 -5.03 118.16 127.23 3kip n LYS 42 Ca 0.00 -0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 3kip n LYS 42 Cb 0.24 -0.54 0.00 0.00 -1.84 0.00 0.00 35.03 32.89 3kip n LYS 42 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3kip n ASN 43 N -0.76 0.00 -2.09 4.39 4.13 -0.87 -4.86 115.26 115.20 3kip n ASN 43 Ca 0.00 0.00 -0.00 0.00 1.68 0.00 0.00 54.58 56.26 3kip n ASN 43 Cb 0.00 0.00 -0.00 0.00 -1.54 0.00 0.00 39.78 38.24 3kip n ASN 43 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 3kip n ASN 44 N 0.00 0.39 -2.37 6.41 6.94 -1.26 -4.31 115.26 121.06 3kip n ASN 44 Ca 0.00 -1.23 -0.19 0.00 -0.02 0.00 0.00 54.58 53.15 3kip n ASN 44 Cb 0.00 -0.09 -0.01 0.00 -2.36 0.00 0.00 39.78 37.32 3kip n ASN 44 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3kip n ASP 45 N 2.22 -5.38 -4.86 0.53 8.00 -1.26 -4.97 116.55 110.83 3kip n ASP 45 Ca 0.01 0.06 -0.31 0.00 0.71 0.00 0.00 54.79 55.25 3kip n ASP 45 Cb 0.05 -4.51 -0.01 0.00 -0.02 0.00 0.00 41.12 36.63 3kip n ASP 45 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3kip s SER 46 N -2.07 6.38 -0.13 -2.24 0.01 -1.26 -4.65 113.70 109.74 3kip s SER 46 Ca 0.00 1.44 -0.29 0.00 1.31 0.00 0.00 55.95 58.40 3kip s SER 46 Cb 0.00 -2.47 0.09 0.00 0.21 0.00 0.00 66.02 63.85 3kip s SER 46 CO 0.00 -0.74 0.79 -0.70 0.41 0.00 0.00 173.24 173.00 3kip s GLU 47 N -4.71 0.87 -0.14 12.44 2.12 -0.16 -4.47 118.70 124.65 3kip s GLU 47 Ca 0.56 0.37 0.00 0.00 0.36 0.00 0.00 54.97 56.26 3kip s GLU 47 Cb -0.11 0.41 0.02 0.00 0.26 0.00 0.00 34.13 34.72 3kip s GLU 47 CO 0.45 -0.24 -0.12 0.08 -0.54 0.00 0.00 175.26 174.89 3kip s VAL 48 N -0.82 1.38 0.02 3.70 1.01 -1.26 -1.26 120.40 123.18 3kip s VAL 48 Ca -0.06 -0.52 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 3kip s VAL 48 Cb -0.01 -1.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 3kip s VAL 48 CO 0.05 0.41 0.25 -0.76 0.00 0.00 0.00 175.10 175.06 3kip s LEU 49 N 1.56 4.36 -0.00 3.92 1.43 -0.53 -4.64 118.68 124.79 3kip s LEU 49 Ca 0.05 0.48 0.08 0.00 -1.03 0.00 0.00 54.13 53.71 3kip s LEU 49 Cb -0.13 -2.76 -0.02 0.00 0.03 0.00 0.00 46.19 43.31 3kip s LEU 49 CO -0.10 0.22 -0.25 0.68 0.23 0.00 0.00 176.35 177.14 3kip s VAL 50 N -1.37 2.20 -0.03 -1.59 -7.23 -1.26 -0.81 120.40 110.31 3kip s VAL 50 Ca 0.30 -1.16 -0.02 0.00 -1.81 0.00 0.00 61.98 59.28 3kip s VAL 50 Cb -0.13 -1.81 0.01 0.00 0.56 0.00 0.00 36.38 35.02 3kip s VAL 50 CO 0.19 0.51 0.08 0.12 -0.31 0.00 0.00 175.10 175.69 3kip s PHE 51 N -0.69 -0.08 -0.00 2.82 5.36 0.45 -4.96 117.98 120.87 3kip s PHE 51 Ca 0.11 0.22 0.01 0.00 -0.96 0.00 0.00 56.93 56.31 3kip s PHE 51 Cb -0.10 0.00 -0.00 0.00 -0.34 0.00 0.00 43.02 42.58 3kip s PHE 51 CO 0.00 -0.05 -0.02 -1.14 -1.46 0.00 0.00 175.22 172.55 3kip s GLN 52 N 0.19 0.18 -0.03 10.12 -0.44 -1.26 0.28 119.66 128.69 3kip s GLN 52 Ca -0.01 -0.10 -0.22 0.00 -2.50 0.00 0.00 55.36 52.53 3kip s GLN 52 Cb -0.02 -0.16 0.04 0.00 -1.64 0.00 0.00 33.01 31.23 3kip s GLN 52 CO -0.01 0.04 0.47 0.45 0.50 0.00 0.00 175.29 176.75 3kip s SER 53 N -0.11 -0.40 0.21 6.67 0.15 -0.72 -4.98 113.70 114.52 3kip s SER 53 Ca 0.00 0.38 0.25 0.00 0.70 0.00 0.00 55.95 57.28 3kip s SER 53 Cb -0.01 0.43 0.52 0.00 -1.71 0.00 0.00 66.02 65.25 3kip s SER 53 CO -0.00 -0.51 1.53 0.78 1.20 0.00 0.00 173.24 176.25 3kip h ASN 54 N 3.56 0.00 -3.58 5.45 2.35 -1.87 -3.01 115.58 118.46 3kip h ASN 54 Ca -0.28 -0.08 -0.63 0.00 -0.55 0.00 0.00 56.30 54.75 3kip h ASN 54 Cb 1.16 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 39.39 3kip h ASN 54 CO 0.39 0.04 0.03 -0.89 -1.65 0.00 0.00 177.43 175.35 3kip s THR 55 N -3.16 4.98 0.04 2.81 2.01 -1.26 -4.50 115.64 116.57 3kip s THR 55 Ca 0.08 0.56 -0.09 0.00 0.31 0.00 0.00 61.69 62.55 3kip s THR 55 Cb 0.12 -3.98 -0.02 0.00 0.01 0.00 0.00 72.50 68.63 3kip s THR 55 CO 0.67 -0.18 0.70 1.21 -0.69 0.00 0.00 174.62 176.33 3kip n GLU 56 N 5.81 -0.12 -0.06 4.92 2.13 -1.26 -1.44 120.64 130.61 3kip n GLU 56 Ca -0.03 0.69 -0.07 0.00 0.66 0.00 0.00 57.16 58.41 3kip n GLU 56 Cb 0.49 -1.03 -0.01 0.00 0.27 0.00 0.00 31.44 31.16 3kip n GLU 56 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 3kip h GLY 57 N 0.00 0.09 0.59 8.31 0.00 -1.99 0.10 103.07 110.17 3kip h GLY 57 Ca 0.04 0.16 0.07 0.00 0.00 0.00 0.00 47.33 47.60 3kip h GLY 57 CO -0.26 -0.14 0.25 0.74 0.00 0.00 0.00 176.54 177.12 3kip h PHE 58 N -0.09 0.45 -0.81 5.60 0.04 -1.89 0.74 116.94 120.99 3kip h PHE 58 Ca 0.14 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.94 3kip h PHE 58 Cb 0.30 -0.12 -0.04 0.00 2.20 0.00 0.00 35.95 38.29 3kip h PHE 58 CO -0.31 0.18 0.53 0.82 -0.60 0.00 0.00 178.31 178.94 3kip h ILE 59 N 0.47 1.21 -0.24 -0.55 2.04 0.13 0.63 117.51 121.20 3kip h ILE 59 Ca 0.26 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 3kip h ILE 59 Cb 0.24 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 3kip h ILE 59 CO -0.22 0.20 0.13 0.40 0.00 0.00 0.00 178.15 178.66 3kip h ILE 60 N 1.09 1.11 -0.70 -0.67 2.04 0.46 -0.98 117.51 119.88 3kip h ILE 60 Ca 0.30 -0.29 0.08 0.00 1.00 0.00 0.00 64.86 65.94 3kip h ILE 60 Cb -0.13 0.87 -0.06 0.00 -0.74 0.00 0.00 36.82 36.76 3kip h ILE 60 CO -0.06 0.11 0.37 0.44 0.00 0.00 0.00 178.15 179.00 3kip h ASP 61 N 0.28 0.52 -0.36 1.72 3.32 0.95 -0.90 116.42 121.94 3kip h ASP 61 Ca 0.09 0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 3kip h ASP 61 Cb 0.06 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3kip h ASP 61 CO -0.01 0.32 -0.09 -0.09 -1.72 0.00 0.00 179.24 177.65 3kip h ARG 62 N 0.66 0.70 -0.91 3.56 9.65 -0.65 -1.46 114.38 125.92 3kip h ARG 62 Ca 0.33 -0.27 0.05 0.00 -1.10 0.00 0.00 59.98 58.99 3kip h ARG 62 Cb 0.27 -0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 28.76 3kip h ARG 62 CO -0.22 0.85 0.60 0.82 2.80 0.00 0.00 179.97 184.82 3kip h ILE 63 N 0.49 1.11 -0.13 1.20 2.04 -0.28 -0.13 117.51 121.81 3kip h ILE 63 Ca 0.09 -0.37 0.02 0.00 1.00 0.00 0.00 64.86 65.60 3kip h ILE 63 Cb 0.60 -0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 3kip h ILE 63 CO 0.04 0.20 0.00 0.45 0.00 0.00 0.00 178.15 178.84 3kip h HIS 64 N 1.09 0.00 -0.99 1.37 3.86 -0.81 -2.73 115.15 116.94 3kip h HIS 64 Ca 0.38 0.01 0.18 0.00 -1.16 0.00 0.00 60.37 59.77 3kip h HIS 64 Cb 0.10 0.02 -0.10 0.00 1.06 0.00 0.00 27.41 28.50 3kip h HIS 64 CO -0.00 -0.01 0.61 1.49 0.86 0.00 0.00 177.93 180.88 3kip h GLU 65 N 0.05 0.74 -0.30 2.45 4.57 -0.17 -0.94 114.58 120.98 3kip h GLU 65 Ca 0.06 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.17 3kip h GLU 65 Cb 0.07 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.48 3kip h GLU 65 CO -0.10 0.49 0.06 0.00 -1.18 0.00 0.00 179.01 178.28 3kip h ALA 66 N 1.62 1.55 -0.07 2.92 0.00 -0.75 -0.27 119.26 124.27 3kip h ALA 66 Ca 0.55 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 3kip h ALA 66 Cb 0.86 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3kip h ALA 66 CO -0.33 0.34 -0.02 -0.22 0.00 0.00 0.00 179.25 179.01 3kip h LYS 67 N 0.43 0.14 -0.27 0.00 1.63 -1.12 0.50 116.57 117.88 3kip h LYS 67 Ca 0.10 -0.06 0.08 0.00 -0.85 0.00 0.00 60.65 59.92 3kip h LYS 67 Cb 0.18 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.80 3kip h LYS 67 CO -0.00 0.49 0.31 -0.09 -3.45 0.00 0.00 179.45 176.71 3kip h ARG 68 N -0.22 0.00 -0.02 1.90 2.43 -0.88 -0.69 114.38 116.91 3kip h ARG 68 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3kip h ARG 68 Cb 0.44 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3kip h ARG 68 CO 0.01 0.00 -0.07 1.04 -1.51 0.00 0.00 179.97 179.44 3kip n GLN 69 N -3.70 1.92 -1.71 0.20 6.02 -0.19 -4.93 117.38 114.98 3kip n GLN 69 Ca 0.04 -1.46 -0.08 0.00 -0.01 0.00 0.00 57.00 55.50 3kip n GLN 69 Cb 0.45 -1.47 -0.02 0.00 1.02 0.00 0.00 30.24 30.22 3kip n GLN 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kip n GLY 70 N 1.31 0.49 3.70 1.08 0.00 -0.26 -4.98 105.19 106.53 3kip n GLY 70 Ca 0.15 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 3kip n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kip s VAL 71 N -2.34 2.41 -0.26 1.61 1.01 0.17 -4.75 120.40 118.26 3kip s VAL 71 Ca 0.00 0.14 0.22 0.00 0.00 0.00 0.00 61.98 62.34 3kip s VAL 71 Cb 0.00 -3.09 0.04 0.00 0.00 0.00 0.00 36.38 33.33 3kip s VAL 71 CO 0.00 0.01 1.10 1.23 0.00 0.00 0.00 175.10 177.44 3kip h GLY 72 N 7.71 0.00 -4.67 4.51 0.00 -1.32 -3.44 103.07 105.86 3kip h GLY 72 Ca -0.44 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.79 3kip h GLY 72 CO 0.95 0.00 -0.10 -0.12 0.00 0.00 0.00 176.54 177.27 3kip s PHE 73 N -3.34 -0.46 -0.12 5.60 2.19 -1.22 -4.35 117.98 116.28 3kip s PHE 73 Ca 0.00 0.95 0.02 0.00 0.33 0.00 0.00 56.93 58.23 3kip s PHE 73 Cb 0.09 0.21 -0.00 0.00 -1.31 0.00 0.00 43.02 42.01 3kip s PHE 73 CO 0.78 -0.39 -0.19 0.08 1.83 0.00 0.00 175.22 177.32 3kip s VAL 74 N -0.60 2.43 -0.25 3.12 1.01 -0.04 -0.86 120.40 125.21 3kip s VAL 74 Ca -0.07 -0.88 -0.05 0.00 0.00 0.00 0.00 61.98 60.99 3kip s VAL 74 Cb -0.03 -1.98 -0.00 0.00 0.00 0.00 0.00 36.38 34.37 3kip s VAL 74 CO 0.04 0.54 0.00 -0.69 0.00 0.00 0.00 175.10 175.00 3kip s VAL 75 N 0.47 3.58 -0.02 2.92 1.01 -0.70 -1.56 120.40 126.11 3kip s VAL 75 Ca -0.13 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.30 3kip s VAL 75 Cb -0.17 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.47 3kip s VAL 75 CO 0.05 0.28 -0.16 -0.51 0.00 0.00 0.00 175.10 174.76 3kip s ILE 76 N 1.48 1.28 -0.28 2.22 2.07 -0.64 -0.74 121.20 126.59 3kip s ILE 76 Ca 0.04 -0.67 0.02 0.00 -1.41 0.00 0.00 60.65 58.62 3kip s ILE 76 Cb -0.16 -1.08 0.08 0.00 0.13 0.00 0.00 42.46 41.43 3kip s ILE 76 CO -0.01 0.37 -0.00 0.21 -1.91 0.00 0.00 174.94 173.59 3kip s ASN 77 N -0.22 4.25 0.00 4.50 3.84 -0.11 -0.44 114.94 126.76 3kip s ASN 77 Ca 0.03 -1.59 0.22 0.00 0.21 0.00 0.00 52.86 51.73 3kip s ASN 77 Cb -0.08 -1.32 0.52 0.00 -0.55 0.00 0.00 41.25 39.83 3kip s ASN 77 CO 0.00 -0.30 1.44 0.00 -2.79 0.00 0.00 177.10 175.45 3kip n ALA 78 N 4.54 2.44 -0.72 1.71 0.00 -1.26 -0.43 120.51 126.80 3kip n ALA 78 Ca -0.06 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.51 3kip n ALA 78 Cb 0.43 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.93 3kip n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kip n GLY 79 N 1.40 2.57 0.40 0.00 0.00 -1.26 -0.39 105.19 107.91 3kip n GLY 79 Ca 0.18 -0.32 0.23 0.00 0.00 0.00 0.00 46.02 46.12 3kip n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kip h ALA 80 N -0.72 2.21 0.00 4.61 0.00 -1.95 -1.32 119.26 122.09 3kip h ALA 80 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3kip h ALA 80 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3kip h ALA 80 CO 0.00 -0.64 0.00 1.88 0.00 0.00 0.00 179.25 180.49 3kip h TYR 81 N 0.39 0.00 -0.85 0.00 0.05 -1.12 0.17 116.97 115.62 3kip h TYR 81 Ca 0.62 0.00 0.19 0.00 0.05 0.00 0.00 58.73 59.59 3kip h TYR 81 Cb 1.55 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 39.24 3kip h TYR 81 CO -0.00 0.00 0.57 1.15 -1.05 0.00 0.00 178.16 178.82 3kip h THR 82 N 0.00 0.70 -0.00 -2.88 2.02 -1.26 -0.37 112.91 111.12 3kip h THR 82 Ca 0.00 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.05 3kip h THR 82 Cb 0.09 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 3kip h THR 82 CO 0.00 0.07 -0.76 1.41 0.37 0.00 0.00 175.52 176.60 3kip n HIS 83 N -4.48 0.00 0.00 3.16 8.25 0.59 -0.70 115.22 122.04 3kip n HIS 83 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 3kip n HIS 83 Cb 0.66 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.77 3kip n HIS 83 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3kip n THR 84 N -1.27 0.00 -3.28 1.59 -2.24 -1.09 -4.79 114.28 103.20 3kip n THR 84 Ca 0.04 -0.09 -0.45 0.00 -2.27 0.00 0.00 64.05 61.27 3kip n THR 84 Cb 0.28 0.52 -0.00 0.00 -2.10 0.00 0.00 70.33 69.03 3kip n THR 84 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3kip s SER 85 N -0.85 7.23 0.42 3.42 0.15 -0.17 -4.78 113.70 119.13 3kip s SER 85 Ca 0.00 -3.42 0.17 0.00 0.70 0.00 0.00 55.95 53.41 3kip s SER 85 Cb 0.00 -2.24 1.08 0.00 -1.71 0.00 0.00 66.02 63.15 3kip s SER 85 CO 0.00 -0.39 1.88 0.58 1.20 0.00 0.00 173.24 176.51 3kip h VAL 86 N 3.93 0.71 -0.80 4.45 2.07 -1.93 -2.57 116.25 122.12 3kip h VAL 86 Ca 0.19 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.61 3kip h VAL 86 Cb 0.89 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 3kip h VAL 86 CO 1.03 0.07 0.50 1.23 0.02 0.00 0.00 177.57 180.42 3kip h GLY 87 N 0.40 1.16 1.03 2.17 0.00 -1.97 -0.87 103.07 104.99 3kip h GLY 87 Ca 0.44 -0.38 -0.09 0.00 0.00 0.00 0.00 47.33 47.30 3kip h GLY 87 CO -0.16 0.31 -0.04 -2.22 0.00 0.00 0.00 176.54 174.44 3kip h ILE 88 N 0.97 1.27 -0.27 2.60 2.04 -1.83 -1.63 117.51 120.66 3kip h ILE 88 Ca 0.32 -1.14 0.06 0.00 1.00 0.00 0.00 64.86 65.11 3kip h ILE 88 Cb 0.04 1.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.06 3kip h ILE 88 CO -0.12 0.40 -0.15 -0.09 0.00 0.00 0.00 178.15 178.18 3kip h ARG 89 N 0.76 -0.12 0.00 2.37 2.43 -1.28 -1.32 114.38 117.22 3kip h ARG 89 Ca 0.14 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 3kip h ARG 89 Cb 0.57 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.14 3kip h ARG 89 CO 0.03 -0.08 -0.11 -0.44 -1.51 0.00 0.00 179.97 177.86 3kip h ASP 90 N -0.12 0.00 -0.04 -3.80 5.19 -1.07 0.13 116.42 116.71 3kip h ASP 90 Ca 0.14 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.52 3kip h ASP 90 Cb 0.34 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.85 3kip h ASP 90 CO -0.35 0.11 -0.10 0.00 -3.12 0.00 0.00 179.24 175.78 3kip h ALA 91 N 1.89 0.07 -0.08 3.45 0.00 -0.47 0.18 119.26 124.31 3kip h ALA 91 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3kip h ALA 91 Cb 0.47 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3kip h ALA 91 CO 0.01 -0.05 0.05 -0.07 0.00 0.00 0.00 179.25 179.19 3kip h LEU 92 N -0.38 0.09 -0.97 0.00 3.38 -0.80 -1.29 115.31 115.33 3kip h LEU 92 Ca -0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3kip h LEU 92 Cb 0.70 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 3kip h LEU 92 CO 0.02 0.07 0.55 -0.07 0.09 0.00 0.00 178.44 179.10 3kip h LEU 93 N 0.10 1.12 0.42 1.67 3.38 -0.84 -1.23 115.31 119.92 3kip h LEU 93 Ca 0.03 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3kip h LEU 93 Cb -0.01 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.47 3kip h LEU 93 CO -0.01 0.87 -0.20 1.23 0.09 0.00 0.00 178.44 180.42 3kip h GLY 94 N 1.28 -0.60 2.00 0.83 0.00 -0.20 -2.53 103.07 103.85 3kip h GLY 94 Ca 0.33 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.88 3kip h GLY 94 CO -0.06 -0.22 0.00 -1.30 0.00 0.00 0.00 176.54 174.96 3kip n THR 95 N -5.28 0.86 -3.45 4.70 -2.24 -0.53 -4.93 114.28 103.41 3kip n THR 95 Ca -0.11 0.21 -0.22 0.00 -2.27 0.00 0.00 64.05 61.66 3kip n THR 95 Cb 0.27 -0.95 0.07 0.00 -2.10 0.00 0.00 70.33 67.62 3kip n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kip n ALA 96 N -1.53 -1.19 -2.69 6.98 0.00 -0.49 -4.98 120.51 116.60 3kip n ALA 96 Ca 0.04 0.37 -0.36 0.00 0.00 0.00 0.00 53.44 53.48 3kip n ALA 96 Cb 0.20 -5.04 -0.08 0.00 0.00 0.00 0.00 19.45 14.53 3kip n ALA 96 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3kip s ILE 97 N -3.28 5.33 0.50 0.00 1.01 -1.04 -5.04 121.20 118.69 3kip s ILE 97 Ca 0.52 0.33 -0.22 0.00 0.00 0.00 0.00 60.65 61.29 3kip s ILE 97 Cb -0.23 -3.56 -0.06 0.00 0.01 0.00 0.00 42.46 38.62 3kip s ILE 97 CO 0.64 0.36 1.19 -2.16 0.00 0.00 0.00 174.94 174.97 3kip s PRO 98 N 0.85 3.51 0.05 2.79 0.04 -1.26 -4.78 135.00 136.20 3kip s PRO 98 Ca 0.11 1.82 -0.02 0.00 0.04 0.00 0.00 61.00 62.95 3kip s PRO 98 Cb -0.13 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 3kip s PRO 98 CO 0.03 -0.77 -0.01 -0.59 0.04 0.00 0.00 177.00 175.70 3kip s PHE 99 N -1.56 0.47 -0.14 0.56 -0.71 -1.26 -0.86 117.98 114.48 3kip s PHE 99 Ca 0.68 -0.98 0.02 0.00 -1.04 0.00 0.00 56.93 55.61 3kip s PHE 99 Cb -0.30 -0.35 0.01 0.00 -1.21 0.00 0.00 43.02 41.18 3kip s PHE 99 CO 0.35 -0.37 -0.20 0.42 -1.34 0.00 0.00 175.22 174.07 3kip s ILE 100 N -3.69 1.94 -0.02 -4.49 1.01 -0.60 0.86 121.20 116.21 3kip s ILE 100 Ca 0.05 -0.90 -0.30 0.00 0.00 0.00 0.00 60.65 59.50 3kip s ILE 100 Cb 0.06 -1.73 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 3kip s ILE 100 CO -0.09 0.53 1.05 -0.70 0.00 0.00 0.00 174.94 175.73 3kip s GLU 101 N 0.94 4.47 -0.03 2.79 2.12 -0.99 -1.62 118.70 126.38 3kip s GLU 101 Ca -0.05 1.51 0.06 0.00 0.36 0.00 0.00 54.97 56.85 3kip s GLU 101 Cb -0.15 -3.48 -0.02 0.00 0.26 0.00 0.00 34.13 30.74 3kip s GLU 101 CO -0.04 -0.21 -0.23 0.08 -0.54 0.00 0.00 175.26 174.33 3kip s VAL 102 N 1.45 2.33 -0.12 3.70 1.01 0.42 -1.34 120.40 127.85 3kip s VAL 102 Ca 0.53 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.52 3kip s VAL 102 Cb -0.22 -1.84 0.02 0.00 0.00 0.00 0.00 36.38 34.33 3kip s VAL 102 CO 0.25 0.58 -0.14 -1.00 0.00 0.00 0.00 175.10 174.79 3kip s HIS 103 N -0.57 1.95 0.23 5.22 3.76 -0.11 -4.28 115.29 121.49 3kip s HIS 103 Ca 0.08 -0.95 -0.07 0.00 -0.15 0.00 0.00 55.06 53.97 3kip s HIS 103 Cb -0.11 -1.43 0.36 0.00 1.11 0.00 0.00 32.58 32.52 3kip s HIS 103 CO 0.00 -0.51 1.75 0.82 -0.85 0.00 0.00 174.74 175.95 3kip h ILE 104 N 6.00 0.75 -1.56 0.60 2.04 -1.87 -1.78 117.51 121.69 3kip h ILE 104 Ca -0.32 -0.17 -0.49 0.00 1.00 0.00 0.00 64.86 64.88 3kip h ILE 104 Cb 1.16 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 3kip h ILE 104 CO 0.49 0.09 -0.38 0.42 0.00 0.00 0.00 178.15 178.77 3kip s THR 105 N -6.06 2.81 -1.03 -0.27 -4.23 -1.26 -1.83 115.64 103.78 3kip s THR 105 Ca -0.13 -1.32 -0.19 0.00 -1.18 0.00 0.00 61.69 58.87 3kip s THR 105 Cb 0.19 -3.03 0.12 0.00 1.34 0.00 0.00 72.50 71.12 3kip s THR 105 CO 0.76 -0.03 1.30 0.21 -0.54 0.00 0.00 174.62 176.32 3kip s ASN 106 N -4.13 6.70 0.25 3.99 3.04 -1.26 -2.23 114.94 121.31 3kip s ASN 106 Ca 0.48 -2.12 0.16 0.00 0.04 0.00 0.00 52.86 51.42 3kip s ASN 106 Cb -0.04 -2.45 0.89 0.00 -1.54 0.00 0.00 41.25 38.11 3kip s ASN 106 CO 0.28 -1.11 1.00 0.52 -3.04 0.00 0.00 177.10 174.74 3kip n VAL 107 N 5.71 -0.22 0.57 -5.21 0.31 -1.26 -0.75 118.33 117.48 3kip n VAL 107 Ca 0.30 1.23 0.10 0.00 -0.01 0.00 0.00 64.34 65.96 3kip n VAL 107 Cb 0.48 -2.00 0.42 0.00 -0.91 0.00 0.00 33.84 31.83 3kip n VAL 107 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3kip n HIS 108 N -4.23 0.28 0.43 3.52 8.25 -1.26 -0.88 115.22 121.33 3kip n HIS 108 Ca 0.25 0.10 0.13 0.00 -0.26 0.00 0.00 57.72 57.94 3kip n HIS 108 Cb 0.89 -0.67 0.34 0.00 1.12 0.00 0.00 29.99 31.67 3kip n HIS 108 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 3kip h GLN 109 N 0.00 0.00 0.00 -0.41 4.20 -1.36 -3.48 115.11 114.06 3kip h GLN 109 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3kip h GLN 109 Cb 0.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.14 3kip h GLN 109 CO 0.00 0.00 0.00 0.54 -0.67 0.00 0.00 178.83 178.70 3kip n ARG 110 N -2.63 1.88 -1.65 1.46 1.74 -0.06 -5.03 116.66 112.37 3kip n ARG 110 Ca 0.04 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.74 3kip n ARG 110 Cb 0.45 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.93 3kip n ARG 110 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3kip n GLU 111 N -0.18 1.22 -0.11 5.56 4.71 -1.26 -4.88 120.64 125.71 3kip n GLU 111 Ca 0.00 0.46 0.18 0.00 -0.01 0.00 0.00 57.16 57.79 3kip n GLU 111 Cb 0.00 -2.24 0.59 0.00 -1.01 0.00 0.00 31.44 28.78 3kip n GLU 111 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 3kip h PRO 112 N 1.00 0.23 0.00 3.49 0.11 -1.95 -1.60 132.00 133.27 3kip h PRO 112 Ca -0.48 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 3kip h PRO 112 Cb 1.34 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 3kip h PRO 112 CO 0.54 0.15 -0.00 0.27 -0.21 0.00 0.00 178.00 178.74 3kip h PHE 113 N 0.23 0.00 -0.10 0.65 -5.15 -1.98 -1.06 116.94 109.53 3kip h PHE 113 Ca 0.34 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.11 3kip h PHE 113 Cb 0.99 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.16 3kip h PHE 113 CO -0.00 0.00 0.00 0.54 -2.00 0.00 0.00 178.31 176.85 3kip n ARG 114 N -3.38 1.55 0.12 6.09 1.74 -0.60 -3.34 116.66 118.83 3kip n ARG 114 Ca -0.03 -0.81 0.12 0.00 -0.77 0.00 0.00 57.85 56.36 3kip n ARG 114 Cb 0.09 -1.40 0.27 0.00 -1.02 0.00 0.00 32.46 30.40 3kip n ARG 114 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3kip h HIS 115 N 1.71 0.00 -3.09 -1.55 3.86 -1.32 -3.45 115.15 111.31 3kip h HIS 115 Ca 0.00 0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.59 3kip h HIS 115 Cb 0.37 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 28.75 3kip h HIS 115 CO 0.06 0.00 -0.40 -0.65 0.86 0.00 0.00 177.93 177.80 3kip s GLN 116 N -3.16 3.99 0.11 2.45 -1.52 -1.21 -5.08 119.66 115.24 3kip s GLN 116 Ca 0.08 -0.02 0.11 0.00 -1.95 0.00 0.00 55.36 53.57 3kip s GLN 116 Cb 0.11 -3.34 -0.04 0.00 -0.22 0.00 0.00 33.01 29.52 3kip s GLN 116 CO 0.66 0.44 -0.26 0.45 -0.25 0.00 0.00 175.29 176.33 3kip s SER 117 N -0.11 3.33 0.00 5.90 0.15 -1.26 -4.41 113.70 117.30 3kip s SER 117 Ca 0.14 -0.70 0.27 0.00 0.70 0.00 0.00 55.95 56.36 3kip s SER 117 Cb -0.13 -0.26 0.97 0.00 -1.71 0.00 0.00 66.02 64.90 3kip s SER 117 CO 0.03 0.20 1.70 -1.22 1.20 0.00 0.00 173.24 175.15 3kip n TYR 118 N 1.07 0.00 -0.08 3.44 4.01 0.12 -4.30 117.16 121.43 3kip n TYR 118 Ca -0.18 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.34 3kip n TYR 118 Cb 0.53 -0.14 -0.12 0.00 -0.31 0.00 0.00 39.34 39.29 3kip n TYR 118 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3kip n LEU 119 N -0.75 2.30 -0.33 7.72 4.77 -1.26 -4.72 117.00 124.72 3kip n LEU 119 Ca 0.13 0.26 0.23 0.00 -0.03 0.00 0.00 56.01 56.60 3kip n LEU 119 Cb 0.32 -0.99 0.46 0.00 -2.33 0.00 0.00 43.42 40.88 3kip n LEU 119 CO 0.25 0.62 1.10 0.28 -1.33 0.00 0.00 177.39 178.30 3kip h SER 120 N -0.49 0.46 0.14 -1.43 0.02 -1.94 0.18 113.55 110.48 3kip h SER 120 Ca -0.47 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 3kip h SER 120 Cb 1.69 0.16 0.00 0.00 0.14 0.00 0.00 62.40 64.39 3kip h SER 120 CO -0.13 -0.16 -0.12 -0.90 -1.14 0.00 0.00 176.83 174.38 3kip n ASP 121 N -5.08 1.13 -0.03 3.07 5.75 -1.26 -2.87 116.55 117.25 3kip n ASP 121 Ca 0.31 -1.12 0.04 0.00 -0.01 0.00 0.00 54.79 54.01 3kip n ASP 121 Cb 0.97 0.05 -0.04 0.00 -1.03 0.00 0.00 41.12 41.08 3kip n ASP 121 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3kip n LYS 122 N -0.35 4.08 -1.44 0.11 4.76 0.50 -5.06 118.16 120.76 3kip n LYS 122 Ca 0.16 -0.10 -0.31 0.00 -2.87 0.00 0.00 58.31 55.19 3kip n LYS 122 Cb 0.33 -0.89 0.07 0.00 -1.84 0.00 0.00 35.03 32.71 3kip n LYS 122 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kip s ALA 123 N -1.62 2.45 -0.04 7.82 0.00 -0.47 -4.79 121.76 125.12 3kip s ALA 123 Ca 0.04 0.12 -0.25 0.00 0.00 0.00 0.00 51.96 51.86 3kip s ALA 123 Cb 0.06 -3.21 -0.20 0.00 0.00 0.00 0.00 23.12 19.77 3kip s ALA 123 CO 0.29 -1.50 1.15 0.28 0.00 0.00 0.00 175.76 175.98 3kip h VAL 124 N -0.93 1.32 -4.26 0.00 2.07 0.13 -3.47 116.25 111.11 3kip h VAL 124 Ca -0.44 -1.24 -0.24 0.00 0.82 0.00 0.00 66.70 65.60 3kip h VAL 124 Cb 1.22 2.13 -0.15 0.00 -1.52 0.00 0.00 31.29 32.97 3kip h VAL 124 CO 0.55 0.31 -0.64 0.00 0.02 0.00 0.00 177.57 177.81 3kip s ALA 125 N -3.98 1.14 -0.12 1.67 0.00 -1.25 -5.06 121.76 114.15 3kip s ALA 125 Ca -0.16 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.21 3kip s ALA 125 Cb 0.01 0.95 0.02 0.00 0.00 0.00 0.00 23.12 24.10 3kip s ALA 125 CO 0.64 -0.48 -0.11 0.08 0.00 0.00 0.00 175.76 175.89 3kip s VAL 126 N -3.96 1.29 -0.12 0.00 1.01 -1.26 -2.33 120.40 115.02 3kip s VAL 126 Ca 0.29 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.81 3kip s VAL 126 Cb 0.07 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.21 3kip s VAL 126 CO 0.06 0.41 -0.17 -0.63 0.00 0.00 0.00 175.10 174.77 3kip s ILE 127 N 1.42 2.65 -0.21 2.22 1.01 -0.45 -5.01 121.20 122.83 3kip s ILE 127 Ca 0.01 -0.80 -0.24 0.00 0.00 0.00 0.00 60.65 59.62 3kip s ILE 127 Cb -0.13 -2.08 0.06 0.00 0.01 0.00 0.00 42.46 40.32 3kip s ILE 127 CO -0.07 0.54 0.65 0.00 0.00 0.00 0.00 174.94 176.06 3kip n GLY 129 N 2.45 0.67 0.86 0.00 0.00 -0.67 -4.65 105.19 103.85 3kip n GLY 129 Ca -0.15 -0.06 0.09 0.00 0.00 0.00 0.00 46.02 45.91 3kip n GLY 129 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kip n LEU 130 N 0.00 2.54 0.00 0.99 7.94 -1.24 -4.74 117.00 122.49 3kip n LEU 130 Ca 0.00 -1.19 0.00 0.00 -1.11 0.00 0.00 56.01 53.71 3kip n LEU 130 Cb 0.00 -0.26 0.00 0.00 0.53 0.00 0.00 43.42 43.69 3kip n LEU 130 CO 0.00 0.59 0.00 0.61 -1.11 0.00 0.00 177.39 177.48 3kip n GLY 131 N 1.29 -0.23 0.25 -3.96 0.00 -0.76 -3.18 105.19 98.60 3kip n GLY 131 Ca 0.17 -1.05 0.13 0.00 0.00 0.00 0.00 46.02 45.28 3kip n GLY 131 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kip h VAL 132 N 0.00 0.37 0.00 1.61 2.07 -1.95 -2.64 116.25 115.70 3kip h VAL 132 Ca 0.00 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 3kip h VAL 132 Cb 0.00 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3kip h VAL 132 CO 0.00 0.12 -0.11 0.22 0.02 0.00 0.00 177.57 177.82 3kip h TYR 133 N 0.00 0.00 -0.96 1.57 3.20 -1.95 -2.83 116.97 116.00 3kip h TYR 133 Ca -0.00 0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.95 3kip h TYR 133 Cb 0.54 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.74 3kip h TYR 133 CO 0.00 0.11 0.62 0.78 -1.64 0.00 0.00 178.16 178.02 3kip h GLY 134 N 0.70 1.45 0.39 1.82 0.00 -1.49 0.76 103.07 106.69 3kip h GLY 134 Ca -0.00 -0.42 0.03 0.00 0.00 0.00 0.00 47.33 46.93 3kip h GLY 134 CO 0.01 0.26 -0.28 -0.97 0.00 0.00 0.00 176.54 175.56 3kip h TYR 135 N 1.03 -0.76 -0.37 5.60 0.05 -1.71 -0.87 116.97 119.94 3kip h TYR 135 Ca 0.43 0.02 0.04 0.00 0.05 0.00 0.00 58.73 59.28 3kip h TYR 135 Cb 0.30 0.33 -0.04 0.00 1.01 0.00 0.00 36.73 38.34 3kip h TYR 135 CO -0.00 -0.37 0.13 1.15 -1.05 0.00 0.00 178.16 178.01 3kip h THR 136 N -0.43 0.89 -0.28 -2.88 2.02 -0.97 0.45 112.91 111.71 3kip h THR 136 Ca 0.06 -0.10 0.07 0.00 0.77 0.00 0.00 66.41 67.21 3kip h THR 136 Cb 0.51 0.58 -0.07 0.00 -1.74 0.00 0.00 68.15 67.43 3kip h THR 136 CO -0.23 0.05 -0.20 0.00 0.37 0.00 0.00 175.52 175.51 3kip h ALA 137 N 1.24 -0.02 -0.48 6.16 0.00 -1.26 -0.11 119.26 124.80 3kip h ALA 137 Ca 0.17 0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.27 3kip h ALA 137 Cb 0.15 0.44 -0.09 0.00 0.00 0.00 0.00 17.79 18.29 3kip h ALA 137 CO -0.18 -0.61 -0.12 0.00 0.00 0.00 0.00 179.25 178.35 3kip h ALA 138 N 0.96 0.31 -0.29 0.00 0.00 -0.56 -1.65 119.26 118.04 3kip h ALA 138 Ca 0.15 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 3kip h ALA 138 Cb 0.41 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3kip h ALA 138 CO -0.38 -0.44 0.10 0.82 0.00 0.00 0.00 179.25 179.34 3kip h ILE 139 N -0.00 1.12 0.00 0.00 1.08 -0.41 -1.37 117.51 117.93 3kip h ILE 139 Ca 0.23 -0.41 -0.05 0.00 -0.39 0.00 0.00 64.86 64.24 3kip h ILE 139 Cb 0.35 0.80 -0.01 0.00 -3.07 0.00 0.00 36.82 34.90 3kip h ILE 139 CO -0.49 0.15 -0.24 -0.33 -0.69 0.00 0.00 178.15 176.55 3kip h GLU 140 N 0.40 0.00 0.09 2.37 4.39 -0.09 -2.13 114.58 119.62 3kip h GLU 140 Ca 0.10 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.57 3kip h GLU 140 Cb 0.11 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 3kip h GLU 140 CO -0.01 0.24 -1.14 -0.92 -1.16 0.00 0.00 179.01 176.02 3kip h TYR 141 N 0.00 0.36 -0.37 4.33 5.03 -1.15 -3.32 116.97 121.85 3kip h TYR 141 Ca -0.00 -0.27 0.08 0.00 2.58 0.00 0.00 58.73 61.12 3kip h TYR 141 Cb 0.87 -0.01 -0.09 0.00 1.55 0.00 0.00 36.73 39.05 3kip h TYR 141 CO 0.00 1.45 -0.25 0.00 -1.32 0.00 0.00 178.16 178.03 3kip h ALA 142 N -0.07 -0.05 0.00 1.82 0.00 -1.14 0.46 119.26 120.28 3kip h ALA 142 Ca -0.25 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3kip h ALA 142 Cb 1.61 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.97 3kip h ALA 142 CO 0.04 -0.64 0.00 1.28 0.00 0.00 0.00 179.25 179.93 3kip n LEU 143 N -5.40 0.21 0.00 0.00 4.77 -0.81 -2.00 117.00 113.77 3kip n LEU 143 Ca 0.01 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 3kip n LEU 143 Cb 0.31 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3kip n LEU 143 CO 0.10 0.05 0.04 0.59 -1.33 0.00 0.00 177.39 176.85 3kip n ASN 144 N -0.27 0.18 -4.82 -1.43 5.03 0.09 -4.59 115.26 109.44 3kip n ASN 144 Ca 0.00 -0.93 -0.34 0.00 0.87 0.00 0.00 54.58 54.18 3kip n ASN 144 Cb 0.05 0.01 -0.07 0.00 -1.02 0.00 0.00 39.78 38.76 3kip n ASN 144 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 3kip s TYR 145 N -0.01 3.42 -1.62 3.10 5.04 -0.82 -4.82 117.35 121.64 3kip s TYR 145 Ca 0.00 1.47 0.00 0.00 -2.44 0.00 0.00 57.07 56.10 3kip s TYR 145 Cb 0.00 -2.72 0.00 0.00 0.35 0.00 0.00 41.96 39.59 3kip s TYR 145 CO 0.00 0.05 0.40 1.04 -1.34 0.00 0.00 175.55 175.70