#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 3.84 0.32 2.61 1.98 -1.26 -0.41 118.68 125.75 3kip s LEU 0 Ca 0.00 2.78 -0.24 0.00 -2.89 0.00 0.00 54.13 53.78 3kip s LEU 0 Cb 0.00 -4.28 -0.10 0.00 0.66 0.00 0.00 46.19 42.47 3kip s LEU 0 CO 0.00 -1.60 0.90 -0.69 -1.89 0.00 0.00 176.35 173.07 3kip s VAL 1 N -1.30 4.31 0.00 1.68 1.01 -1.02 -4.71 120.40 120.37 3kip s VAL 1 Ca 0.72 1.67 0.00 0.00 0.00 0.00 0.00 61.98 64.37 3kip s VAL 1 Cb -0.41 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.05 3kip s VAL 1 CO 0.48 0.09 0.00 0.29 0.00 0.00 0.00 175.10 175.96 3kip n LYS 2 N 0.42 1.66 -3.94 2.72 4.76 -1.26 -4.78 118.16 117.74 3kip n LYS 2 Ca 0.02 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.10 3kip n LYS 2 Cb 0.51 -0.64 -0.13 0.00 -1.84 0.00 0.00 35.03 32.93 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 -1.17 3.61 -0.05 1.97 2.47 -1.26 -1.78 119.74 123.53 3kip s LYS 3 Ca 0.00 -0.52 0.04 0.00 -1.56 0.00 0.00 55.97 53.94 3kip s LYS 3 Cb 0.00 -3.16 -0.00 0.00 -1.46 0.00 0.00 37.83 33.21 3kip s LYS 3 CO 0.00 -0.08 -0.17 0.08 0.16 0.00 0.00 175.35 175.35 3kip s VAL 4 N 1.26 1.40 -0.23 4.02 1.01 -0.74 -1.68 120.40 125.43 3kip s VAL 4 Ca 0.04 -0.69 -0.07 0.00 0.00 0.00 0.00 61.98 61.26 3kip s VAL 4 Cb -0.15 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 3kip s VAL 4 CO 0.02 0.40 0.05 -0.22 0.00 0.00 0.00 175.10 175.35 3kip s LEU 5 N 0.11 3.40 -0.25 3.92 2.96 -0.37 -0.56 118.68 127.89 3kip s LEU 5 Ca -0.05 -0.19 -0.14 0.00 -0.22 0.00 0.00 54.13 53.53 3kip s LEU 5 Cb -0.12 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 3kip s LEU 5 CO 0.02 0.01 0.31 -0.22 -1.32 0.00 0.00 176.35 175.15 3kip s LEU 6 N 1.35 4.07 -0.09 -0.68 2.96 0.59 -0.74 118.68 126.13 3kip s LEU 6 Ca 0.05 0.25 0.04 0.00 -0.22 0.00 0.00 54.13 54.24 3kip s LEU 6 Cb -0.15 -2.33 0.00 0.00 0.50 0.00 0.00 46.19 44.21 3kip s LEU 6 CO 0.03 -0.10 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.11 3kip s ILE 7 N 1.70 1.86 0.01 6.68 1.01 0.31 -0.79 121.20 131.97 3kip s ILE 7 Ca 0.13 -0.90 0.04 0.00 0.00 0.00 0.00 60.65 59.92 3kip s ILE 7 Cb -0.15 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 3kip s ILE 7 CO 0.09 0.51 -0.10 0.20 0.00 0.00 0.00 174.94 175.65 3kip s ASN 8 N 0.38 4.40 0.09 3.58 -0.87 -0.05 -1.18 114.94 121.30 3kip s ASN 8 Ca -0.17 -0.21 0.00 0.00 -1.57 0.00 0.00 52.86 50.90 3kip s ASN 8 Cb -0.17 -0.96 0.00 0.00 -0.02 0.00 0.00 41.25 40.10 3kip s ASN 8 CO 0.08 0.28 0.00 0.61 -2.57 0.00 0.00 177.10 175.50 3kip n GLY 9 N 1.59 0.27 3.75 0.66 0.00 0.10 -2.65 105.19 108.91 3kip n GLY 9 Ca -0.16 -1.80 -0.39 0.00 0.00 0.00 0.00 46.02 43.68 3kip n GLY 9 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kip n PRO 10 N -0.15 1.76 0.00 1.61 -0.04 -0.83 -2.95 135.00 134.40 3kip n PRO 10 Ca 0.00 0.65 0.00 0.00 -0.04 0.00 0.00 63.50 64.11 3kip n PRO 10 Cb 0.00 -2.60 0.00 0.00 -0.04 0.00 0.00 33.50 30.86 3kip n PRO 10 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3kip n ASN 11 N -0.95 0.00 0.13 3.54 3.02 -1.26 -4.54 115.26 115.19 3kip n ASN 11 Ca 0.10 0.00 0.19 0.00 -0.03 0.00 0.00 54.58 54.84 3kip n ASN 11 Cb 0.44 -0.01 0.70 0.00 -0.61 0.00 0.00 39.78 40.30 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 -0.50 3.41 3.38 -1.89 0.21 115.31 119.91 3kip h LEU 12 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 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 0.00 -0.46 0.09 0.00 0.00 178.44 178.07 3kip n ASN 13 N -3.38 0.32 -0.23 -0.43 6.94 -1.26 -2.72 115.26 114.49 3kip n ASN 13 Ca 0.06 0.60 0.12 0.00 -0.02 0.00 0.00 54.58 55.34 3kip n ASN 13 Cb 0.67 -0.66 0.16 0.00 -2.36 0.00 0.00 39.78 37.59 3kip n ASN 13 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3kip n LEU 14 N -1.88 1.21 -4.74 -4.53 4.77 0.73 -4.69 117.00 107.86 3kip n LEU 14 Ca 0.01 -0.39 -0.41 0.00 -0.03 0.00 0.00 56.01 55.19 3kip n LEU 14 Cb 0.13 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.08 3kip n LEU 14 CO 0.12 0.24 0.77 -1.48 -1.33 0.00 0.00 177.39 175.71 3kip s LEU 15 N -2.68 4.50 -0.37 2.23 2.34 -1.10 0.03 118.68 123.63 3kip s LEU 15 Ca 0.17 2.06 0.04 0.00 0.06 0.00 0.00 54.13 56.47 3kip s LEU 15 Cb 0.18 -3.60 0.11 0.00 -0.56 0.00 0.00 46.19 42.31 3kip s LEU 15 CO 0.63 -0.18 0.09 -0.83 -1.06 0.00 0.00 176.35 175.00 3kip s GLY 16 N -0.22 2.02 -0.03 -3.48 0.00 -1.05 -2.69 107.32 101.88 3kip s GLY 16 Ca 0.48 -2.66 0.22 0.00 0.00 0.00 0.00 44.72 42.76 3kip s GLY 16 CO 0.35 0.96 0.49 -1.30 0.00 0.00 0.00 173.10 173.59 3kip n THR 17 N 4.05 0.00 0.25 0.90 -2.24 0.10 -4.71 114.28 112.63 3kip n THR 17 Ca 0.04 -0.49 -0.10 0.00 -2.27 0.00 0.00 64.05 61.23 3kip n THR 17 Cb 0.40 0.02 -0.05 0.00 -2.10 0.00 0.00 70.33 68.60 3kip n THR 17 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3kip h ARG 18 N 0.00 -0.62 0.00 -0.78 2.43 -1.98 -3.53 114.38 109.90 3kip h ARG 18 Ca 0.00 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3kip h ARG 18 Cb 0.99 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3kip h ARG 18 CO 0.00 -0.41 -1.47 0.98 -1.51 0.00 0.00 179.97 177.56 3kip n TYR 23 N -3.79 0.21 -2.96 2.20 9.36 -1.26 -5.11 117.16 115.81 3kip n TYR 23 Ca -0.08 0.06 -0.18 0.00 3.32 0.00 0.00 57.90 61.02 3kip n TYR 23 Cb 0.26 -0.49 0.02 0.00 -0.63 0.00 0.00 39.34 38.50 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 -4.08 1.90 -0.52 2.98 0.00 -1.26 -4.96 107.32 101.38 3kip s GLY 24 Ca -0.02 -1.69 -0.04 0.00 0.00 0.00 0.00 44.72 42.97 3kip s GLY 24 CO 0.86 -1.45 2.04 -1.30 0.00 0.00 0.00 173.10 173.24 3kip n THR 25 N -1.99 1.95 -3.80 0.90 -2.24 -1.26 -4.47 114.28 103.38 3kip n THR 25 Ca 0.09 -1.11 -0.37 0.00 -2.27 0.00 0.00 64.05 60.40 3kip n THR 25 Cb 0.59 -1.95 -0.13 0.00 -2.10 0.00 0.00 70.33 66.74 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 2.97 3.67 0.42 4.28 2.01 -1.26 -4.93 115.64 122.80 3kip s THR 26 Ca 0.35 -0.94 0.04 0.00 0.31 0.00 0.00 61.69 61.45 3kip s THR 26 Cb 0.12 -2.96 0.00 0.00 0.01 0.00 0.00 72.50 69.67 3kip s THR 26 CO -0.02 -0.00 0.59 -0.94 -0.69 0.00 0.00 174.62 173.56 3kip s SER 27 N 1.42 5.76 0.25 3.53 1.04 -1.26 -2.52 113.70 121.93 3kip s SER 27 Ca 0.00 -0.08 -0.03 0.00 0.48 0.00 0.00 55.95 56.32 3kip s SER 27 Cb -0.18 -1.14 0.30 0.00 0.10 0.00 0.00 66.02 65.10 3kip s SER 27 CO 0.01 -0.68 1.78 0.25 0.98 0.00 0.00 173.24 175.58 3kip h LEU 28 N 0.58 0.86 -1.37 2.42 5.85 -1.75 -1.54 115.31 120.36 3kip h LEU 28 Ca -0.44 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.10 3kip h LEU 28 Cb 1.27 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 3kip h LEU 28 CO 0.52 0.86 0.36 -1.28 -0.34 0.00 0.00 178.44 178.56 3kip h SER 29 N 0.87 0.69 -0.09 1.25 0.87 -1.93 -1.20 113.55 114.00 3kip h SER 29 Ca 0.18 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.71 3kip h SER 29 Cb 0.36 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 3kip h SER 29 CO 0.01 0.52 0.05 0.44 -0.53 0.00 0.00 176.83 177.32 3kip h ASP 30 N 0.80 0.10 -0.26 6.23 3.32 -1.67 0.41 116.42 125.34 3kip h ASP 30 Ca 0.21 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.25 3kip h ASP 30 Cb -0.04 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3kip h ASP 30 CO -0.04 0.11 0.11 0.40 -1.72 0.00 0.00 179.24 178.09 3kip h ILE 31 N 0.09 0.96 0.44 0.35 2.04 -1.15 0.01 117.51 120.26 3kip h ILE 31 Ca 0.03 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 3kip h ILE 31 Cb 0.02 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3kip h ILE 31 CO -0.01 0.04 -0.22 -0.33 0.00 0.00 0.00 178.15 177.64 3kip h GLU 32 N 0.24 -0.58 -0.27 2.37 5.08 -0.94 -1.88 114.58 118.61 3kip h GLU 32 Ca 0.11 0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.57 3kip h GLU 32 Cb 0.06 0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.38 3kip h GLU 32 CO -0.10 -0.39 -0.10 1.96 -1.00 0.00 0.00 179.01 179.38 3kip h GLN 33 N -0.61 -0.05 -0.72 2.33 1.08 -0.81 -0.95 115.11 115.39 3kip h GLN 33 Ca -0.06 0.00 0.14 0.00 -1.45 0.00 0.00 58.65 57.29 3kip h GLN 33 Cb 0.47 0.01 -0.10 0.00 -0.05 0.00 0.00 27.48 27.81 3kip h GLN 33 CO 0.09 -0.03 0.23 0.00 -0.95 0.00 0.00 178.83 178.17 3kip h ALA 34 N 1.19 0.96 0.33 3.87 0.00 -0.83 0.14 119.26 124.93 3kip h ALA 34 Ca 0.14 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 3kip h ALA 34 Cb 0.26 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3kip h ALA 34 CO -0.31 -0.27 -0.16 0.00 0.00 0.00 0.00 179.25 178.51 3kip h ALA 35 N 1.56 -0.45 -0.82 0.00 0.00 -0.70 -1.10 119.26 117.75 3kip h ALA 35 Ca 0.40 -0.15 0.20 0.00 0.00 0.00 0.00 54.91 55.36 3kip h ALA 35 Cb 0.63 0.17 -0.14 0.00 0.00 0.00 0.00 17.79 18.45 3kip h ALA 35 CO -0.44 -0.67 0.04 0.82 0.00 0.00 0.00 179.25 179.00 3kip h ILE 36 N -0.60 0.28 -0.32 0.00 5.03 -0.34 -1.97 117.51 119.59 3kip h ILE 36 Ca -0.05 -0.04 -0.00 0.00 -0.12 0.00 0.00 64.86 64.66 3kip h ILE 36 Cb 0.44 0.17 -0.02 0.00 -3.03 0.00 0.00 36.82 34.38 3kip h ILE 36 CO 0.07 0.02 0.20 -0.33 -0.68 0.00 0.00 178.15 177.43 3kip h GLU 37 N 0.11 0.43 -0.67 2.37 4.39 -0.75 -1.47 114.58 118.98 3kip h GLU 37 Ca 0.47 -0.03 0.14 0.00 0.34 0.00 0.00 59.36 60.27 3kip h GLU 37 Cb 0.86 -0.09 -0.11 0.00 -0.10 0.00 0.00 28.75 29.32 3kip h GLU 37 CO -0.71 0.31 0.09 0.37 -1.16 0.00 0.00 179.01 177.91 3kip h GLN 38 N 0.41 0.19 0.22 2.33 4.15 -0.41 0.30 115.11 122.31 3kip h GLN 38 Ca 0.11 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 3kip h GLN 38 Cb -0.01 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.64 3kip h GLN 38 CO -0.02 0.13 -0.11 0.00 -1.93 0.00 0.00 178.83 176.90 3kip h ALA 39 N 1.58 -0.30 -0.57 3.38 0.00 -1.42 -3.08 119.26 118.84 3kip h ALA 39 Ca 0.36 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.13 3kip h ALA 39 Cb 0.60 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 3kip h ALA 39 CO -0.51 -0.35 -0.33 1.63 0.00 0.00 0.00 179.25 179.68 3kip n LYS 40 N -4.98 -0.25 0.00 0.00 5.02 -0.56 -0.84 118.16 116.55 3kip n LYS 40 Ca -0.07 1.06 0.02 0.00 -2.02 0.00 0.00 58.31 57.29 3kip n LYS 40 Cb 0.25 -1.57 0.07 0.00 -0.02 0.00 0.00 35.03 33.76 3kip n LYS 40 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3kip n LEU 41 N -4.38 0.00 0.07 -0.35 -0.00 0.08 -1.26 117.00 111.16 3kip n LEU 41 Ca 0.01 0.45 -0.21 0.00 -0.00 0.00 0.00 56.01 56.26 3kip n LEU 41 Cb 0.15 -0.45 -0.13 0.00 -0.00 0.00 0.00 43.42 42.98 3kip n LEU 41 CO -0.09 -0.40 0.00 0.11 -0.00 0.00 0.00 177.39 177.01 3kip h LYS 42 N 0.00 0.49 -4.90 1.96 1.79 -0.90 -3.50 116.57 111.52 3kip h LYS 42 Ca 0.00 -0.69 0.00 0.00 -2.18 0.00 0.00 60.65 57.78 3kip h LYS 42 Cb 0.05 0.23 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 3kip h LYS 42 CO 0.00 1.30 -0.21 -1.71 -1.08 0.00 0.00 179.45 177.76 3kip n ASN 43 N -3.95 -6.81 0.00 0.86 5.15 -0.39 -4.96 115.26 105.16 3kip n ASN 43 Ca -0.14 0.20 0.00 0.00 -0.60 0.00 0.00 54.58 54.04 3kip n ASN 43 Cb 0.90 -4.57 0.00 0.00 -0.53 0.00 0.00 39.78 35.58 3kip n ASN 43 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 3kip n ASN 44 N -0.97 0.00 0.00 1.20 6.94 -1.26 -5.01 115.26 116.15 3kip n ASN 44 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.61 3kip n ASN 44 Cb 0.44 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.86 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 -0.39 0.00 -4.95 0.53 10.43 -1.26 -5.16 116.55 115.75 3kip n ASP 45 Ca 0.00 0.00 -0.22 0.00 2.57 0.00 0.00 54.79 57.14 3kip n ASP 45 Cb 0.00 0.00 -0.02 0.00 1.84 0.00 0.00 41.12 42.94 3kip n ASP 45 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 3kip s SER 46 N 0.00 6.25 -0.21 -2.24 0.01 -1.26 -4.83 113.70 111.43 3kip s SER 46 Ca 0.00 0.07 -0.13 0.00 1.31 0.00 0.00 55.95 57.20 3kip s SER 46 Cb 0.00 -1.83 0.06 0.00 0.21 0.00 0.00 66.02 64.46 3kip s SER 46 CO 0.00 -0.03 0.52 -0.70 0.41 0.00 0.00 173.24 173.44 3kip s GLU 47 N -3.76 0.53 -0.37 12.44 2.12 -0.73 -4.16 118.70 124.78 3kip s GLU 47 Ca 0.34 0.91 -0.10 0.00 0.36 0.00 0.00 54.97 56.48 3kip s GLU 47 Cb -0.09 0.09 0.03 0.00 0.26 0.00 0.00 34.13 34.42 3kip s GLU 47 CO 0.28 -0.14 0.18 0.08 -0.54 0.00 0.00 175.26 175.13 3kip s VAL 48 N 1.23 4.38 0.57 3.70 1.01 -1.26 -1.80 120.40 128.23 3kip s VAL 48 Ca -0.08 -0.92 -0.15 0.00 0.00 0.00 0.00 61.98 60.83 3kip s VAL 48 Cb -0.06 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 3kip s VAL 48 CO -0.12 -0.22 1.02 -0.76 0.00 0.00 0.00 175.10 175.02 3kip s LEU 49 N 1.52 3.49 0.11 3.92 1.43 0.27 -4.56 118.68 124.85 3kip s LEU 49 Ca 0.01 1.63 0.06 0.00 -1.03 0.00 0.00 54.13 54.80 3kip s LEU 49 Cb -0.19 -4.51 -0.03 0.00 0.03 0.00 0.00 46.19 41.48 3kip s LEU 49 CO 0.06 -0.89 -0.15 0.68 0.23 0.00 0.00 176.35 176.28 3kip s VAL 50 N -2.68 1.30 -0.08 -1.59 -7.23 -1.26 -0.30 120.40 108.56 3kip s VAL 50 Ca 0.60 -1.59 -0.26 0.00 -1.81 0.00 0.00 61.98 58.93 3kip s VAL 50 Cb -0.12 -1.40 0.06 0.00 0.56 0.00 0.00 36.38 35.47 3kip s VAL 50 CO 0.38 -0.33 0.59 0.12 -0.31 0.00 0.00 175.10 175.55 3kip s PHE 51 N -1.82 -0.56 -0.10 2.82 5.36 0.03 -4.93 117.98 118.79 3kip s PHE 51 Ca 0.06 1.05 -0.12 0.00 -0.96 0.00 0.00 56.93 56.95 3kip s PHE 51 Cb -0.07 0.31 0.03 0.00 -0.34 0.00 0.00 43.02 42.95 3kip s PHE 51 CO 0.03 -0.51 0.33 -1.14 -1.46 0.00 0.00 175.22 172.47 3kip s GLN 52 N -0.92 0.46 0.07 10.12 -0.44 -1.26 -0.87 119.66 126.82 3kip s GLN 52 Ca -0.09 0.29 -0.15 0.00 -2.50 0.00 0.00 55.36 52.90 3kip s GLN 52 Cb -0.02 0.22 0.03 0.00 -1.64 0.00 0.00 33.01 31.59 3kip s GLN 52 CO 0.07 -0.08 0.35 0.45 0.50 0.00 0.00 175.29 176.58 3kip s SER 53 N -0.22 -0.18 0.01 6.67 0.15 -1.09 -4.99 113.70 114.05 3kip s SER 53 Ca -0.04 -0.19 0.23 0.00 0.70 0.00 0.00 55.95 56.65 3kip s SER 53 Cb -0.03 0.40 0.09 0.00 -1.71 0.00 0.00 66.02 64.77 3kip s SER 53 CO 0.01 -0.69 1.10 0.59 1.20 0.00 0.00 173.24 175.45 3kip n ASN 54 N 0.32 0.72 -4.59 5.45 3.02 -1.26 -1.97 115.26 116.95 3kip n ASN 54 Ca -0.18 -0.55 -0.39 0.00 -0.03 0.00 0.00 54.58 53.43 3kip n ASN 54 Cb 0.61 0.71 -0.09 0.00 -0.61 0.00 0.00 39.78 40.39 3kip n ASN 54 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3kip s THR 55 N -3.05 5.17 0.18 3.41 2.01 -1.26 -4.66 115.64 117.44 3kip s THR 55 Ca 0.08 0.45 -0.20 0.00 0.31 0.00 0.00 61.69 62.33 3kip s THR 55 Cb 0.16 -3.73 0.11 0.00 0.01 0.00 0.00 72.50 69.05 3kip s THR 55 CO 0.80 0.09 1.61 -0.08 -0.69 0.00 0.00 174.62 176.34 3kip h GLU 56 N 8.25 -0.16 -0.63 4.92 4.81 -2.00 -2.23 114.58 127.54 3kip h GLU 56 Ca -0.31 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.06 3kip h GLU 56 Cb 1.16 0.04 -0.11 0.00 0.63 0.00 0.00 28.75 30.47 3kip h GLU 56 CO 0.66 -0.11 -0.01 0.78 -0.73 0.00 0.00 179.01 179.61 3kip h GLY 57 N -0.17 0.67 1.80 1.92 0.00 -2.00 -1.27 103.07 104.02 3kip h GLY 57 Ca 0.21 0.09 -0.06 0.00 0.00 0.00 0.00 47.33 47.57 3kip h GLY 57 CO -0.56 -0.21 -0.19 0.74 0.00 0.00 0.00 176.54 176.32 3kip h PHE 58 N 0.11 0.27 -0.33 5.60 0.04 -1.84 -0.93 116.94 119.85 3kip h PHE 58 Ca 0.33 -0.04 -0.14 0.00 2.80 0.00 0.00 57.97 60.92 3kip h PHE 58 Cb 0.54 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 3kip h PHE 58 CO -0.38 0.43 -0.37 0.82 -0.60 0.00 0.00 178.31 178.21 3kip h ILE 59 N 0.23 1.28 -0.74 -0.55 2.04 -0.74 -0.46 117.51 118.57 3kip h ILE 59 Ca 0.04 -1.53 -0.06 0.00 1.00 0.00 0.00 64.86 64.31 3kip h ILE 59 Cb 0.47 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 3kip h ILE 59 CO 0.03 0.50 0.22 0.40 0.00 0.00 0.00 178.15 179.30 3kip h ILE 60 N 0.63 1.26 -0.59 -0.67 2.04 -0.71 -1.91 117.51 117.57 3kip h ILE 60 Ca 0.06 -0.93 -0.04 0.00 1.00 0.00 0.00 64.86 64.95 3kip h ILE 60 Cb 0.91 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 3kip h ILE 60 CO 0.08 0.36 0.22 0.44 0.00 0.00 0.00 178.15 179.26 3kip h ASP 61 N 1.11 0.80 0.62 1.72 3.32 -0.76 -1.65 116.42 121.57 3kip h ASP 61 Ca 0.24 -0.11 -0.18 0.00 0.02 0.00 0.00 57.03 56.99 3kip h ASP 61 Cb 0.32 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3kip h ASP 61 CO -0.01 0.73 -0.82 -0.09 -1.72 0.00 0.00 179.24 177.33 3kip h ARG 62 N 0.86 0.14 -0.20 3.56 9.65 -0.53 -1.61 114.38 126.25 3kip h ARG 62 Ca 0.20 -0.15 -0.10 0.00 -1.10 0.00 0.00 59.98 58.83 3kip h ARG 62 Cb 0.19 0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 28.81 3kip h ARG 62 CO -0.02 0.89 -0.26 0.82 2.80 0.00 0.00 179.97 184.19 3kip h ILE 63 N 0.08 1.33 -0.64 1.20 2.04 -0.73 -0.53 117.51 120.26 3kip h ILE 63 Ca -0.03 -1.47 0.08 0.00 1.00 0.00 0.00 64.86 64.44 3kip h ILE 63 Cb 1.43 1.82 -0.06 0.00 -0.74 0.00 0.00 36.82 39.27 3kip h ILE 63 CO 0.12 0.45 0.31 0.45 0.00 0.00 0.00 178.15 179.48 3kip h HIS 64 N 0.19 0.56 0.00 1.37 3.86 -1.13 -1.61 115.15 118.39 3kip h HIS 64 Ca 0.02 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.19 3kip h HIS 64 Cb 0.84 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 29.14 3kip h HIS 64 CO 0.09 0.22 -0.35 1.49 0.86 0.00 0.00 177.93 180.24 3kip h GLU 65 N 0.55 0.00 -0.26 2.45 4.57 -0.93 -2.45 114.58 118.51 3kip h GLU 65 Ca 0.31 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.34 3kip h GLU 65 Cb 0.29 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 3kip h GLU 65 CO -0.24 0.35 -0.43 0.00 -1.18 0.00 0.00 179.01 177.51 3kip h ALA 66 N 1.65 0.75 -0.49 2.92 0.00 -0.11 -2.36 119.26 121.62 3kip h ALA 66 Ca -0.00 -0.46 0.08 0.00 0.00 0.00 0.00 54.91 54.53 3kip h ALA 66 Cb 0.78 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 3kip h ALA 66 CO 0.04 0.66 0.12 -0.22 0.00 0.00 0.00 179.25 179.85 3kip h LYS 67 N 0.53 0.25 0.00 0.00 1.63 -1.14 -1.02 116.57 116.83 3kip h LYS 67 Ca 0.04 -0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.77 3kip h LYS 67 Cb 0.96 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.52 3kip h LYS 67 CO 0.09 0.17 -0.24 0.00 -3.45 0.00 0.00 179.45 176.02 3kip h ARG 68 N 0.26 0.00 -0.02 1.90 3.08 -1.46 -1.67 114.38 116.47 3kip h ARG 68 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 3kip h ARG 68 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3kip h ARG 68 CO -0.31 0.24 0.00 1.04 -1.07 0.00 0.00 179.97 179.87 3kip n GLN 69 N -4.11 1.14 -2.85 0.04 6.02 -0.76 -4.91 117.38 111.94 3kip n GLN 69 Ca -0.02 -0.20 -0.22 0.00 -0.01 0.00 0.00 57.00 56.55 3kip n GLN 69 Cb 0.30 -1.42 0.02 0.00 1.02 0.00 0.00 30.24 30.17 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 0.96 -0.51 3.67 1.08 0.00 -0.63 -4.95 105.19 104.81 3kip n GLY 70 Ca 0.19 0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.10 3.59 -0.38 1.61 1.01 -0.46 -4.74 120.40 117.93 3kip s VAL 71 Ca 0.22 0.81 0.22 0.00 0.00 0.00 0.00 61.98 63.23 3kip s VAL 71 Cb -0.10 -3.52 0.25 0.00 0.00 0.00 0.00 36.38 33.01 3kip s VAL 71 CO 0.27 -0.05 1.48 1.23 0.00 0.00 0.00 175.10 178.02 3kip h GLY 72 N 9.64 0.00 -4.44 4.51 0.00 -1.66 -3.44 103.07 107.68 3kip h GLY 72 Ca -0.38 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.84 3kip h GLY 72 CO 0.94 0.00 -0.16 -0.12 0.00 0.00 0.00 176.54 177.20 3kip s PHE 73 N -3.22 -0.31 -0.01 5.60 2.19 -1.16 -4.33 117.98 116.75 3kip s PHE 73 Ca 0.05 0.53 0.06 0.00 0.33 0.00 0.00 56.93 57.90 3kip s PHE 73 Cb 0.06 0.17 -0.02 0.00 -1.31 0.00 0.00 43.02 41.93 3kip s PHE 73 CO 0.70 -0.43 -0.18 0.08 1.83 0.00 0.00 175.22 177.22 3kip s VAL 74 N -1.19 1.44 -0.19 3.12 1.01 -0.11 -1.24 120.40 123.24 3kip s VAL 74 Ca -0.12 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.05 3kip s VAL 74 Cb -0.04 -1.20 0.03 0.00 0.00 0.00 0.00 36.38 35.17 3kip s VAL 74 CO 0.05 0.37 -0.17 -0.69 0.00 0.00 0.00 175.10 174.67 3kip s VAL 75 N -0.47 1.97 -0.04 2.92 1.01 0.08 -1.54 120.40 124.32 3kip s VAL 75 Ca 0.07 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.05 3kip s VAL 75 Cb -0.07 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.47 3kip s VAL 75 CO -0.00 0.40 -0.06 -0.51 0.00 0.00 0.00 175.10 174.93 3kip s ILE 76 N 1.30 0.64 -0.51 2.22 2.07 -0.43 -0.53 121.20 125.96 3kip s ILE 76 Ca 0.02 -0.21 -0.05 0.00 -1.41 0.00 0.00 60.65 59.00 3kip s ILE 76 Cb -0.14 -0.63 0.13 0.00 0.13 0.00 0.00 42.46 41.95 3kip s ILE 76 CO -0.11 0.24 0.34 0.21 -1.91 0.00 0.00 174.94 173.71 3kip s ASN 77 N 0.72 5.47 0.00 4.50 3.84 -0.33 -0.51 114.94 128.64 3kip s ASN 77 Ca -0.10 -2.24 0.24 0.00 0.21 0.00 0.00 52.86 50.96 3kip s ASN 77 Cb -0.13 -1.91 1.43 0.00 -0.55 0.00 0.00 41.25 40.09 3kip s ASN 77 CO 0.01 -0.55 1.90 0.00 -2.79 0.00 0.00 177.10 175.67 3kip n ALA 78 N 4.37 2.60 -0.67 1.71 0.00 -1.26 0.02 120.51 127.28 3kip n ALA 78 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3kip n ALA 78 Cb 0.41 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 0.81 2.92 0.36 0.00 0.00 -1.26 -1.08 105.19 106.94 3kip n GLY 79 Ca 0.18 -0.17 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.67 1.62 0.00 4.61 0.00 -1.94 -1.83 119.26 121.05 3kip h ALA 80 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kip h ALA 80 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3kip h ALA 80 CO 0.00 0.24 0.16 0.66 0.00 0.00 0.00 179.25 180.31 3kip n TYR 81 N -4.50 0.37 -0.09 0.00 4.01 -0.24 -0.88 117.16 115.84 3kip n TYR 81 Ca 0.13 0.19 -0.05 0.00 -0.16 0.00 0.00 57.90 58.02 3kip n TYR 81 Cb 0.24 -0.69 0.16 0.00 -0.31 0.00 0.00 39.34 38.74 3kip n TYR 81 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 3kip h THR 82 N 0.00 1.25 -0.01 -0.72 2.02 -1.41 1.00 112.91 115.03 3kip h THR 82 Ca 0.00 -1.06 0.00 0.00 0.77 0.00 0.00 66.41 66.12 3kip h THR 82 Cb 0.33 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 3kip h THR 82 CO 0.00 0.37 -0.35 1.41 0.37 0.00 0.00 175.52 177.32 3kip n HIS 83 N -4.20 0.00 0.00 3.16 8.25 -0.06 0.16 115.22 122.54 3kip n HIS 83 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 3kip n HIS 83 Cb 0.33 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.32 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 -0.70 0.00 -3.23 1.59 -2.24 -0.83 -4.78 114.28 104.09 3kip n THR 84 Ca 0.11 0.00 -0.46 0.00 -2.27 0.00 0.00 64.05 61.42 3kip n THR 84 Cb 0.36 0.01 -0.02 0.00 -2.10 0.00 0.00 70.33 68.58 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 -1.46 6.78 0.51 3.42 0.15 0.28 -4.84 113.70 118.55 3kip s SER 85 Ca 0.00 -2.61 0.26 0.00 0.70 0.00 0.00 55.95 54.30 3kip s SER 85 Cb 0.00 -2.26 1.39 0.00 -1.71 0.00 0.00 66.02 63.44 3kip s SER 85 CO 0.00 -0.67 2.06 0.58 1.20 0.00 0.00 173.24 176.40 3kip h VAL 86 N 4.95 0.61 -0.16 4.45 2.07 -1.93 -3.09 116.25 123.15 3kip h VAL 86 Ca 0.13 -0.56 -0.09 0.00 0.82 0.00 0.00 66.70 67.00 3kip h VAL 86 Cb 1.02 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 3kip h VAL 86 CO 0.86 0.13 -0.29 1.23 0.02 0.00 0.00 177.57 179.52 3kip h GLY 87 N 0.87 0.32 0.89 2.17 0.00 -1.97 -0.55 103.07 104.80 3kip h GLY 87 Ca -0.00 -0.26 -0.15 0.00 0.00 0.00 0.00 47.33 46.92 3kip h GLY 87 CO 0.02 0.24 -0.51 -2.22 0.00 0.00 0.00 176.54 174.06 3kip h ILE 88 N 0.26 1.36 -0.48 2.60 2.04 -1.91 0.78 117.51 122.16 3kip h ILE 88 Ca 0.04 -1.83 0.10 0.00 1.00 0.00 0.00 64.86 64.17 3kip h ILE 88 Cb 0.65 2.17 -0.09 0.00 -0.74 0.00 0.00 36.82 38.81 3kip h ILE 88 CO 0.05 0.55 -0.07 -0.09 0.00 0.00 0.00 178.15 178.58 3kip h ARG 89 N 0.15 0.04 0.00 2.37 2.43 -1.47 -1.25 114.38 116.65 3kip h ARG 89 Ca -0.03 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.04 3kip h ARG 89 Cb 1.16 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 3kip h ARG 89 CO 0.11 0.03 -0.44 -0.44 -1.51 0.00 0.00 179.97 177.72 3kip h ASP 90 N 0.04 0.00 0.14 -3.80 3.32 -0.94 -0.04 116.42 115.15 3kip h ASP 90 Ca 0.24 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.18 3kip h ASP 90 Cb 0.36 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3kip h ASP 90 CO -0.46 0.44 -0.37 0.00 -1.72 0.00 0.00 179.24 177.13 3kip h ALA 91 N 1.56 1.10 0.01 3.45 0.00 0.11 0.21 119.26 125.70 3kip h ALA 91 Ca -0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 3kip h ALA 91 Cb 0.85 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3kip h ALA 91 CO 0.06 0.58 -0.75 -0.07 0.00 0.00 0.00 179.25 179.07 3kip h LEU 92 N 0.27 0.03 -0.79 0.00 3.38 -0.51 -2.40 115.31 115.29 3kip h LEU 92 Ca 0.03 -0.74 0.16 0.00 0.09 0.00 0.00 57.88 57.42 3kip h LEU 92 Cb 0.77 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.41 3kip h LEU 92 CO 0.06 1.30 0.31 -0.07 0.09 0.00 0.00 178.44 180.13 3kip h LEU 93 N -0.94 0.28 -0.30 1.67 3.38 -1.10 0.50 115.31 118.80 3kip h LEU 93 Ca -0.20 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3kip h LEU 93 Cb 1.22 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 3kip h LEU 93 CO -0.10 0.08 0.09 1.23 0.09 0.00 0.00 178.44 179.83 3kip h GLY 94 N 0.43 0.50 1.79 0.83 0.00 -0.61 -2.45 103.07 103.56 3kip h GLY 94 Ca 0.44 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3kip h GLY 94 CO -0.43 0.28 -0.12 -1.30 0.00 0.00 0.00 176.54 174.97 3kip n THR 95 N -4.69 0.16 -3.80 4.70 -2.24 -0.91 -4.97 114.28 102.53 3kip n THR 95 Ca -0.02 -0.08 -0.23 0.00 -2.27 0.00 0.00 64.05 61.44 3kip n THR 95 Cb 0.17 -0.38 0.02 0.00 -2.10 0.00 0.00 70.33 68.03 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 -1.59 -1.93 -2.61 6.98 0.00 0.16 -4.99 120.51 116.53 3kip n ALA 96 Ca 0.06 -0.16 -0.38 0.00 0.00 0.00 0.00 53.44 52.97 3kip n ALA 96 Cb 0.37 -2.09 -0.10 0.00 0.00 0.00 0.00 19.45 17.63 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 -3.71 5.29 0.80 0.00 1.01 -1.16 -5.05 121.20 118.38 3kip s ILE 97 Ca 0.08 0.27 -0.14 0.00 0.00 0.00 0.00 60.65 60.86 3kip s ILE 97 Cb -0.04 -3.56 0.04 0.00 0.01 0.00 0.00 42.46 38.91 3kip s ILE 97 CO 0.84 0.25 0.91 -0.81 0.00 0.00 0.00 174.94 176.13 3kip n PRO 98 N 4.91 0.18 -3.56 2.79 -0.04 -1.26 -4.79 135.00 133.22 3kip n PRO 98 Ca -0.13 0.12 -0.11 0.00 -0.04 0.00 0.00 63.50 63.34 3kip n PRO 98 Cb 0.52 -2.19 -0.04 0.00 -0.04 0.00 0.00 33.50 31.74 3kip n PRO 98 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3kip s PHE 99 N -2.08 -0.34 -0.07 0.54 -0.71 -1.26 -0.94 117.98 113.13 3kip s PHE 99 Ca 0.69 0.12 0.05 0.00 -1.04 0.00 0.00 56.93 56.75 3kip s PHE 99 Cb -0.30 0.37 -0.01 0.00 -1.21 0.00 0.00 43.02 41.86 3kip s PHE 99 CO 0.55 -0.74 -0.23 0.42 -1.34 0.00 0.00 175.22 173.88 3kip s ILE 100 N -3.56 2.22 -0.16 -4.49 1.01 -0.59 0.90 121.20 116.53 3kip s ILE 100 Ca 0.01 -1.00 -0.20 0.00 0.00 0.00 0.00 60.65 59.46 3kip s ILE 100 Cb 0.01 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 3kip s ILE 100 CO -0.11 0.57 0.56 -0.70 0.00 0.00 0.00 174.94 175.26 3kip s GLU 101 N -0.14 4.27 0.01 2.79 2.12 -0.76 -1.31 118.70 125.67 3kip s GLU 101 Ca -0.04 0.54 0.05 0.00 0.36 0.00 0.00 54.97 55.88 3kip s GLU 101 Cb -0.14 -3.52 -0.03 0.00 0.26 0.00 0.00 34.13 30.70 3kip s GLU 101 CO 0.04 -0.07 -0.13 0.08 -0.54 0.00 0.00 175.26 174.64 3kip s VAL 102 N 1.34 3.15 -0.08 3.70 1.01 0.34 -1.36 120.40 128.50 3kip s VAL 102 Ca 0.28 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.34 3kip s VAL 102 Cb -0.16 -2.32 0.02 0.00 0.00 0.00 0.00 36.38 33.92 3kip s VAL 102 CO 0.11 0.42 -0.10 -1.00 0.00 0.00 0.00 175.10 174.53 3kip s HIS 103 N -0.90 1.37 0.24 5.22 3.76 -0.73 -4.19 115.29 120.06 3kip s HIS 103 Ca 0.15 -0.56 -0.06 0.00 -0.15 0.00 0.00 55.06 54.44 3kip s HIS 103 Cb -0.11 -1.07 0.31 0.00 1.11 0.00 0.00 32.58 32.82 3kip s HIS 103 CO 0.05 -0.34 1.86 0.82 -0.85 0.00 0.00 174.74 176.28 3kip h ILE 104 N 6.06 1.08 -2.00 0.60 2.04 -1.89 -1.27 117.51 122.13 3kip h ILE 104 Ca -0.31 -0.35 -0.54 0.00 1.00 0.00 0.00 64.86 64.66 3kip h ILE 104 Cb 1.16 -0.03 -0.07 0.00 -0.74 0.00 0.00 36.82 37.14 3kip h ILE 104 CO 0.45 0.19 -0.56 0.42 0.00 0.00 0.00 178.15 178.65 3kip s THR 105 N -6.08 3.35 -0.70 -0.27 -4.23 -1.26 -2.12 115.64 104.33 3kip s THR 105 Ca -0.13 -1.69 -0.27 0.00 -1.18 0.00 0.00 61.69 58.42 3kip s THR 105 Cb 0.18 -3.01 0.02 0.00 1.34 0.00 0.00 72.50 71.04 3kip s THR 105 CO 0.79 -0.25 1.33 0.21 -0.54 0.00 0.00 174.62 176.16 3kip s ASN 106 N -3.81 6.11 0.58 3.99 3.04 -1.26 -2.93 114.94 120.66 3kip s ASN 106 Ca 0.36 -0.29 0.31 0.00 0.04 0.00 0.00 52.86 53.28 3kip s ASN 106 Cb -0.04 -2.56 1.81 0.00 -1.54 0.00 0.00 41.25 38.92 3kip s ASN 106 CO 0.22 -1.84 2.22 1.62 -3.04 0.00 0.00 177.10 176.29 3kip h VAL 107 N 6.13 0.45 0.00 -5.21 3.04 -1.92 -0.71 116.25 118.03 3kip h VAL 107 Ca -0.27 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.27 3kip h VAL 107 Cb 1.06 1.10 0.00 0.00 -2.01 0.00 0.00 31.29 31.44 3kip h VAL 107 CO 1.26 0.03 0.00 1.41 -1.01 0.00 0.00 177.57 179.26 3kip n HIS 108 N -3.67 0.00 1.26 3.17 8.25 -1.26 -1.65 115.22 121.32 3kip n HIS 108 Ca -0.03 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.57 3kip n HIS 108 Cb 0.12 -0.50 0.46 0.00 1.12 0.00 0.00 29.99 31.19 3kip n HIS 108 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3kip n GLN 109 N -1.50 0.66 0.00 -0.41 6.02 -0.27 -4.94 117.38 116.94 3kip n GLN 109 Ca 0.05 -0.32 0.00 0.00 -0.01 0.00 0.00 57.00 56.71 3kip n GLN 109 Cb 0.22 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.99 3kip n GLN 109 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3kip n ARG 110 N -0.89 3.60 -2.41 -1.09 1.74 -0.66 -5.05 116.66 111.90 3kip n ARG 110 Ca 0.12 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.81 3kip n ARG 110 Cb 0.32 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.73 3kip n ARG 110 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3kip s GLU 111 N 3.34 4.35 0.30 5.56 8.01 -1.26 -4.90 118.70 134.10 3kip s GLU 111 Ca 0.00 1.78 -0.01 0.00 0.01 0.00 0.00 54.97 56.75 3kip s GLU 111 Cb 0.00 -2.89 0.68 0.00 -4.31 0.00 0.00 34.13 27.61 3kip s GLU 111 CO 0.00 -0.05 1.57 -1.35 0.01 0.00 0.00 175.26 175.45 3kip h PRO 112 N 3.16 0.01 0.00 0.39 0.11 -1.95 0.27 132.00 133.99 3kip h PRO 112 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3kip h PRO 112 Cb 1.22 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3kip h PRO 112 CO 0.64 0.01 0.38 0.27 -0.21 0.00 0.00 178.00 179.10 3kip h PHE 113 N 0.01 0.00 -0.01 0.65 -5.15 -1.98 -1.66 116.94 108.80 3kip h PHE 113 Ca 0.57 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.34 3kip h PHE 113 Cb 1.11 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.28 3kip h PHE 113 CO -0.54 0.00 -0.25 0.54 -2.00 0.00 0.00 178.31 176.06 3kip n ARG 114 N -2.40 1.26 0.27 6.09 1.74 0.95 -3.44 116.66 121.13 3kip n ARG 114 Ca -0.01 -0.89 0.16 0.00 -0.77 0.00 0.00 57.85 56.34 3kip n ARG 114 Cb 0.41 -1.48 0.70 0.00 -1.02 0.00 0.00 32.46 31.08 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 2.16 0.00 -3.26 -1.55 3.86 -1.43 -3.44 115.15 111.50 3kip h HIS 115 Ca 0.00 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.61 3kip h HIS 115 Cb 0.63 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 29.00 3kip h HIS 115 CO 0.00 0.07 -0.40 -0.65 0.86 0.00 0.00 177.93 177.81 3kip s GLN 116 N -3.80 4.20 0.10 2.45 -1.52 -1.22 -5.07 119.66 114.79 3kip s GLN 116 Ca -0.00 -0.05 0.07 0.00 -1.95 0.00 0.00 55.36 53.43 3kip s GLN 116 Cb 0.10 -3.41 -0.03 0.00 -0.22 0.00 0.00 33.01 29.45 3kip s GLN 116 CO 0.56 0.29 -0.18 0.45 -0.25 0.00 0.00 175.29 176.15 3kip s SER 117 N 0.36 2.27 0.00 5.90 0.15 -1.26 -4.38 113.70 116.74 3kip s SER 117 Ca 0.13 -0.69 0.19 0.00 0.70 0.00 0.00 55.95 56.28 3kip s SER 117 Cb -0.12 -0.11 0.52 0.00 -1.71 0.00 0.00 66.02 64.60 3kip s SER 117 CO 0.01 0.00 1.42 -1.22 1.20 0.00 0.00 173.24 174.66 3kip n TYR 118 N 1.05 0.53 -0.11 3.44 4.01 0.12 -4.44 117.16 121.77 3kip n TYR 118 Ca -0.19 -0.27 -0.23 0.00 -0.16 0.00 0.00 57.90 57.05 3kip n TYR 118 Cb 0.54 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.49 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 0.94 1.65 -0.22 7.72 4.77 -1.26 -4.68 117.00 125.92 3kip n LEU 119 Ca 0.17 0.28 0.21 0.00 -0.03 0.00 0.00 56.01 56.65 3kip n LEU 119 Cb 0.44 -0.68 0.40 0.00 -2.33 0.00 0.00 43.42 41.25 3kip n LEU 119 CO 0.13 0.41 0.73 -1.20 -1.33 0.00 0.00 177.39 176.12 3kip n SER 120 N -4.06 0.22 -0.03 -1.43 7.64 -1.26 -0.67 113.62 114.02 3kip n SER 120 Ca -0.43 1.16 0.14 0.00 1.01 0.00 0.00 58.87 60.76 3kip n SER 120 Cb 0.79 -0.55 0.65 0.00 -1.01 0.00 0.00 64.21 64.08 3kip n SER 120 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3kip n ASP 121 N -4.61 0.16 -0.00 6.43 5.75 -1.26 -2.99 116.55 120.03 3kip n ASP 121 Ca 0.26 -0.10 0.01 0.00 -0.01 0.00 0.00 54.79 54.94 3kip n ASP 121 Cb 0.87 -0.24 -0.01 0.00 -1.03 0.00 0.00 41.12 40.71 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 -1.27 6.38 -1.84 0.11 4.76 0.15 -5.07 118.16 121.38 3kip n LYS 122 Ca 0.12 -0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.20 3kip n LYS 122 Cb 0.28 -0.59 0.05 0.00 -1.84 0.00 0.00 35.03 32.94 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 -1.17 2.43 0.05 7.82 0.00 -0.73 -4.80 121.76 125.36 3kip s ALA 123 Ca 0.01 0.99 -0.18 0.00 0.00 0.00 0.00 51.96 52.78 3kip s ALA 123 Cb 0.01 -3.46 -0.16 0.00 0.00 0.00 0.00 23.12 19.51 3kip s ALA 123 CO 0.07 -1.38 1.27 0.28 0.00 0.00 0.00 175.76 176.01 3kip h VAL 124 N 0.55 1.36 -4.16 0.00 2.07 0.18 -3.47 116.25 112.79 3kip h VAL 124 Ca -0.50 -1.67 -0.14 0.00 0.82 0.00 0.00 66.70 65.22 3kip h VAL 124 Cb 1.30 2.06 -0.14 0.00 -1.52 0.00 0.00 31.29 32.99 3kip h VAL 124 CO 0.54 0.50 -0.52 0.00 0.02 0.00 0.00 177.57 178.10 3kip s ALA 125 N -3.88 0.42 -0.16 1.67 0.00 -1.24 -5.05 121.76 113.51 3kip s ALA 125 Ca -0.13 -1.15 -0.00 0.00 0.00 0.00 0.00 51.96 50.67 3kip s ALA 125 Cb 0.06 0.71 0.04 0.00 0.00 0.00 0.00 23.12 23.93 3kip s ALA 125 CO 0.81 -0.52 -0.06 0.08 0.00 0.00 0.00 175.76 176.07 3kip s VAL 126 N -3.98 1.09 -0.11 0.00 1.01 -1.26 -1.83 120.40 115.32 3kip s VAL 126 Ca 0.17 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 3kip s VAL 126 Cb 0.06 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 3kip s VAL 126 CO -0.02 0.17 -0.06 -0.63 0.00 0.00 0.00 175.10 174.56 3kip s ILE 127 N 1.65 3.73 -0.29 2.22 1.01 -0.46 -4.99 121.20 124.06 3kip s ILE 127 Ca 0.02 -0.44 -0.13 0.00 0.00 0.00 0.00 60.65 60.09 3kip s ILE 127 Cb -0.15 -2.58 0.13 0.00 0.01 0.00 0.00 42.46 39.87 3kip s ILE 127 CO -0.08 0.55 0.77 0.00 0.00 0.00 0.00 174.94 176.18 3kip n GLY 129 N 4.80 0.65 0.97 0.00 0.00 -0.48 -4.68 105.19 106.46 3kip n GLY 129 Ca -0.15 0.00 0.04 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 2.72 0.00 0.99 7.94 -1.25 -4.70 117.00 122.70 3kip n LEU 130 Ca 0.00 -1.37 0.00 0.00 -1.11 0.00 0.00 56.01 53.53 3kip n LEU 130 Cb 0.00 -0.46 0.00 0.00 0.53 0.00 0.00 43.42 43.49 3kip n LEU 130 CO 0.00 0.44 0.00 0.61 -1.11 0.00 0.00 177.39 177.33 3kip n GLY 131 N 0.55 1.83 0.18 -3.96 0.00 -0.90 -2.78 105.19 100.11 3kip n GLY 131 Ca 0.12 -0.49 0.04 0.00 0.00 0.00 0.00 46.02 45.69 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 1.05 0.00 1.61 2.07 -1.94 -2.48 116.25 116.55 3kip h VAL 132 Ca 0.00 -1.52 -0.01 0.00 0.82 0.00 0.00 66.70 65.98 3kip h VAL 132 Cb 0.00 1.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 3kip h VAL 132 CO 0.00 0.40 -0.05 0.22 0.02 0.00 0.00 177.57 178.16 3kip h TYR 133 N 0.00 0.00 -0.81 1.57 3.20 -1.95 -1.63 116.97 117.35 3kip h TYR 133 Ca -0.00 0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.05 3kip h TYR 133 Cb 0.85 0.00 -0.15 0.00 1.54 0.00 0.00 36.73 38.97 3kip h TYR 133 CO 0.00 0.05 -0.13 0.41 -1.64 0.00 0.00 178.16 176.85 3kip n GLY 134 N -1.23 -1.27 0.26 1.82 0.00 -0.93 -1.42 105.19 102.42 3kip n GLY 134 Ca -0.03 0.84 -0.14 0.00 0.00 0.00 0.00 46.02 46.69 3kip n GLY 134 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3kip h TYR 135 N 0.00 1.13 -0.17 1.61 0.05 -1.51 -1.75 116.97 116.33 3kip h TYR 135 Ca 0.42 -0.36 0.03 0.00 0.05 0.00 0.00 58.73 58.87 3kip h TYR 135 Cb 0.73 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 38.22 3kip h TYR 135 CO -0.55 1.19 -0.00 1.15 -1.05 0.00 0.00 178.16 178.90 3kip h THR 136 N 0.74 0.88 -0.36 -2.88 2.02 -1.36 0.43 112.91 112.37 3kip h THR 136 Ca 0.05 -0.02 -0.04 0.00 0.77 0.00 0.00 66.41 67.17 3kip h THR 136 Cb 1.03 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 3kip h THR 136 CO 0.10 0.01 0.06 0.00 0.37 0.00 0.00 175.52 176.06 3kip h ALA 137 N 1.15 0.48 -0.77 6.16 0.00 -1.38 0.19 119.26 125.09 3kip h ALA 137 Ca 0.08 -0.21 0.15 0.00 0.00 0.00 0.00 54.91 54.94 3kip h ALA 137 Cb 0.10 -0.14 -0.10 0.00 0.00 0.00 0.00 17.79 17.65 3kip h ALA 137 CO -0.14 0.18 0.29 0.00 0.00 0.00 0.00 179.25 179.59 3kip h ALA 138 N 0.91 1.08 -0.23 0.00 0.00 -1.04 -2.23 119.26 117.75 3kip h ALA 138 Ca 0.11 0.13 -0.14 0.00 0.00 0.00 0.00 54.91 55.01 3kip h ALA 138 Cb 0.35 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3kip h ALA 138 CO 0.01 -0.24 -0.40 0.82 0.00 0.00 0.00 179.25 179.44 3kip h ILE 139 N 0.42 1.31 -0.87 0.00 2.04 -0.20 -0.61 117.51 119.59 3kip h ILE 139 Ca 0.43 -1.61 0.18 0.00 1.00 0.00 0.00 64.86 64.86 3kip h ILE 139 Cb 0.68 1.77 -0.11 0.00 -0.74 0.00 0.00 36.82 38.42 3kip h ILE 139 CO -0.43 0.51 0.42 -0.33 0.00 0.00 0.00 178.15 178.32 3kip h GLU 140 N 0.39 0.51 -0.22 2.37 4.39 -0.34 -0.91 114.58 120.77 3kip h GLU 140 Ca 0.02 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.62 3kip h GLU 140 Cb 1.00 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 3kip h GLU 140 CO 0.09 0.34 -0.12 -0.92 -1.16 0.00 0.00 179.01 177.23 3kip h TYR 141 N 0.53 0.54 -0.79 4.33 5.03 -1.27 -2.82 116.97 122.53 3kip h TYR 141 Ca 0.51 -0.14 0.14 0.00 2.58 0.00 0.00 58.73 61.82 3kip h TYR 141 Cb 0.85 -0.12 -0.14 0.00 1.55 0.00 0.00 36.73 38.86 3kip h TYR 141 CO -0.11 0.76 -0.29 0.00 -1.32 0.00 0.00 178.16 177.20 3kip h ALA 142 N 0.70 0.26 0.00 1.82 0.00 -0.30 -2.08 119.26 119.66 3kip h ALA 142 Ca 0.05 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3kip h ALA 142 Cb 0.63 0.77 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3kip h ALA 142 CO 0.04 -0.54 0.00 1.28 0.00 0.00 0.00 179.25 180.02 3kip n LEU 143 N -5.49 0.00 -1.94 0.00 4.77 -0.42 -3.38 117.00 110.55 3kip n LEU 143 Ca 0.09 0.17 -0.18 0.00 -0.03 0.00 0.00 56.01 56.06 3kip n LEU 143 Cb 0.39 -0.17 0.04 0.00 -2.33 0.00 0.00 43.42 41.36 3kip n LEU 143 CO -0.05 -0.01 0.18 0.59 -1.33 0.00 0.00 177.39 176.77 3kip n ASN 144 N -1.17 4.23 -4.03 -1.43 4.13 -0.78 -4.40 115.26 111.80 3kip n ASN 144 Ca 0.17 -3.59 -0.23 0.00 1.68 0.00 0.00 54.58 52.62 3kip n ASN 144 Cb 0.17 -0.37 -0.16 0.00 -1.54 0.00 0.00 39.78 37.88 3kip n ASN 144 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 3kip s TYR 145 N -3.54 1.23 -0.49 3.10 5.04 -1.22 -4.97 117.35 116.51 3kip s TYR 145 Ca 0.47 -0.35 -0.28 0.00 -2.44 0.00 0.00 57.07 54.47 3kip s TYR 145 Cb 0.40 -0.87 -0.09 0.00 0.35 0.00 0.00 41.96 41.75 3kip s TYR 145 CO 0.02 -0.15 2.40 1.04 -1.34 0.00 0.00 175.55 177.51 3kip n GLN 146 N 3.39 1.08 0.00 4.97 1.13 -1.26 -2.44 117.38 124.25 3kip n GLN 146 Ca -0.19 0.11 0.15 0.00 -1.94 0.00 0.00 57.00 55.12 3kip n GLN 146 Cb 0.53 -3.11 0.70 0.00 0.11 0.00 0.00 30.24 28.47 3kip n GLN 146 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51