#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kip s VAL 1 N 0.00 2.97 -0.25 4.08 1.01 -1.04 -4.78 120.40 122.38 3kip s VAL 1 Ca 0.00 0.63 -0.10 0.00 0.00 0.00 0.00 61.98 62.51 3kip s VAL 1 Cb 0.00 -3.40 -0.16 0.00 0.00 0.00 0.00 36.38 32.82 3kip s VAL 1 CO 0.00 0.03 -0.17 0.29 0.00 0.00 0.00 175.10 175.26 3kip n LYS 2 N 4.40 0.62 -3.45 2.72 4.76 -1.26 -4.75 118.16 121.19 3kip n LYS 2 Ca 0.14 0.27 -0.43 0.00 -2.87 0.00 0.00 58.31 55.42 3kip n LYS 2 Cb 0.40 -1.56 -0.09 0.00 -1.84 0.00 0.00 35.03 31.94 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 -2.50 2.95 -0.09 1.97 2.47 -1.26 -0.34 119.74 122.94 3kip s LYS 3 Ca -0.35 -1.15 0.01 0.00 -1.56 0.00 0.00 55.97 52.92 3kip s LYS 3 Cb 0.11 -4.00 -0.03 0.00 -1.46 0.00 0.00 37.83 32.45 3kip s LYS 3 CO 0.56 -0.84 -0.10 0.08 0.16 0.00 0.00 175.35 175.21 3kip s VAL 4 N 1.65 3.42 -0.26 4.02 1.01 0.39 -1.57 120.40 129.06 3kip s VAL 4 Ca 0.04 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 3kip s VAL 4 Cb -0.21 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.77 3kip s VAL 4 CO 0.08 0.57 0.01 -0.22 0.00 0.00 0.00 175.10 175.54 3kip s LEU 5 N -0.37 3.41 -0.14 3.92 2.96 -0.62 -0.33 118.68 127.53 3kip s LEU 5 Ca 0.05 -0.66 -0.24 0.00 -0.22 0.00 0.00 54.13 53.05 3kip s LEU 5 Cb -0.12 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 3kip s LEU 5 CO 0.02 -0.13 0.75 -0.22 -1.32 0.00 0.00 176.35 175.46 3kip s LEU 6 N 1.45 4.22 -0.11 -0.68 2.96 0.12 -1.56 118.68 125.07 3kip s LEU 6 Ca 0.03 1.13 0.02 0.00 -0.22 0.00 0.00 54.13 55.08 3kip s LEU 6 Cb -0.16 -3.13 -0.01 0.00 0.50 0.00 0.00 46.19 43.39 3kip s LEU 6 CO -0.01 -0.28 -0.18 -0.63 -1.32 0.00 0.00 176.35 173.93 3kip s ILE 7 N 1.63 2.59 0.08 6.68 1.01 0.20 -0.67 121.20 132.70 3kip s ILE 7 Ca 0.37 -0.83 0.07 0.00 0.00 0.00 0.00 60.65 60.26 3kip s ILE 7 Cb -0.17 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 3kip s ILE 7 CO 0.14 0.54 -0.15 0.20 0.00 0.00 0.00 174.94 175.67 3kip s ASN 8 N 0.30 4.02 0.05 3.58 -0.87 0.66 -1.73 114.94 120.96 3kip s ASN 8 Ca -0.14 -0.44 0.00 0.00 -1.57 0.00 0.00 52.86 50.71 3kip s ASN 8 Cb -0.17 -0.68 0.00 0.00 -0.02 0.00 0.00 41.25 40.39 3kip s ASN 8 CO 0.07 0.22 0.00 0.61 -2.57 0.00 0.00 177.10 175.43 3kip n GLY 9 N 1.12 1.06 3.67 0.66 0.00 0.64 -2.52 105.19 109.82 3kip n GLY 9 Ca -0.15 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.53 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 -0.14 1.77 0.00 1.61 -0.04 -0.89 -2.37 135.00 134.93 3kip n PRO 10 Ca 0.00 0.63 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 3kip n PRO 10 Cb 0.00 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.19 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 0.35 0.00 -0.12 3.54 3.02 -1.26 -4.47 115.26 116.31 3kip n ASN 11 Ca 0.07 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.68 3kip n ASN 11 Cb 0.39 -0.19 0.38 0.00 -0.61 0.00 0.00 39.78 39.75 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 0.60 -0.95 3.41 3.38 -1.83 0.58 115.31 120.50 3kip h LEU 12 Ca 0.00 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 3kip h LEU 12 Cb 0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3kip h LEU 12 CO 0.00 0.41 0.81 -0.55 0.09 0.00 0.00 178.44 179.20 3kip h ASN 13 N 0.69 0.00 0.18 -0.43 -1.07 -1.88 -1.87 115.58 111.21 3kip h ASN 13 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.63 3kip h ASN 13 Cb 0.15 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.40 3kip h ASN 13 CO -0.07 0.00 -0.29 0.18 0.07 0.00 0.00 177.43 177.32 3kip n LEU 14 N -2.89 1.22 -4.78 6.14 4.77 0.19 -4.71 117.00 116.95 3kip n LEU 14 Ca 0.05 -0.36 -0.37 0.00 -0.03 0.00 0.00 56.01 55.30 3kip n LEU 14 Cb 0.91 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.84 3kip n LEU 14 CO 0.11 0.23 0.67 -1.48 -1.33 0.00 0.00 177.39 175.59 3kip s LEU 15 N -2.48 4.34 -0.46 2.23 2.34 -0.70 -1.76 118.68 122.18 3kip s LEU 15 Ca 0.24 1.90 0.03 0.00 0.06 0.00 0.00 54.13 56.35 3kip s LEU 15 Cb 0.19 -4.00 0.13 0.00 -0.56 0.00 0.00 46.19 41.95 3kip s LEU 15 CO 0.52 -0.13 0.24 -0.83 -1.06 0.00 0.00 176.35 175.10 3kip s GLY 16 N -1.54 1.91 0.00 -3.48 0.00 -1.14 -2.89 107.32 100.17 3kip s GLY 16 Ca 0.51 -2.79 0.23 0.00 0.00 0.00 0.00 44.72 42.67 3kip s GLY 16 CO 0.26 1.37 1.24 -1.30 0.00 0.00 0.00 173.10 174.67 3kip n THR 17 N 3.44 0.00 -0.12 0.90 -2.24 -0.72 -4.61 114.28 110.93 3kip n THR 17 Ca 0.07 -0.50 -0.24 0.00 -2.27 0.00 0.00 64.05 61.11 3kip n THR 17 Cb 0.34 1.49 -0.08 0.00 -2.10 0.00 0.00 70.33 69.98 3kip n THR 17 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3kip n ARG 18 N 1.32 0.52 0.00 -0.78 0.63 -1.26 -5.20 116.66 111.89 3kip n ARG 18 Ca 0.14 0.22 0.00 0.00 -0.92 0.00 0.00 57.85 57.29 3kip n ARG 18 Cb 0.59 -1.37 0.00 0.00 0.45 0.00 0.00 32.46 32.12 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 -4.15 0.00 -3.73 -0.14 9.36 -1.26 -5.11 117.16 112.13 3kip n TYR 23 Ca -0.43 0.00 -0.23 0.00 3.32 0.00 0.00 57.90 60.56 3kip n TYR 23 Cb 0.79 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.48 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 -0.63 1.34 -0.33 2.98 0.00 -1.26 -4.95 107.32 104.47 3kip s GLY 24 Ca 0.00 -1.06 -0.04 0.00 0.00 0.00 0.00 44.72 43.62 3kip s GLY 24 CO 0.00 -1.05 2.14 -1.30 0.00 0.00 0.00 173.10 172.90 3kip n THR 25 N -1.42 1.89 -3.37 0.90 -2.24 -1.26 -4.57 114.28 104.21 3kip n THR 25 Ca -0.07 -1.03 -0.44 0.00 -2.27 0.00 0.00 64.05 60.24 3kip n THR 25 Cb 0.56 -1.90 -0.08 0.00 -2.10 0.00 0.00 70.33 66.81 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 2.51 5.18 0.60 4.28 2.01 -1.26 -4.86 115.64 124.09 3kip s THR 26 Ca 0.37 -0.81 -0.07 0.00 0.31 0.00 0.00 61.69 61.49 3kip s THR 26 Cb 0.14 -4.09 0.00 0.00 0.01 0.00 0.00 72.50 68.57 3kip s THR 26 CO -0.01 -0.53 0.92 -0.94 -0.69 0.00 0.00 174.62 173.37 3kip s SER 27 N 2.30 5.64 0.28 3.53 1.04 -1.26 -2.88 113.70 122.35 3kip s SER 27 Ca 0.07 0.81 -0.02 0.00 0.48 0.00 0.00 55.95 57.28 3kip s SER 27 Cb -0.22 -1.80 0.41 0.00 0.10 0.00 0.00 66.02 64.52 3kip s SER 27 CO 0.09 -1.06 1.93 0.25 0.98 0.00 0.00 173.24 175.42 3kip h LEU 28 N -0.22 1.01 -1.03 2.42 5.85 -1.76 -1.94 115.31 119.64 3kip h LEU 28 Ca -0.45 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.33 3kip h LEU 28 Cb 1.25 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.98 3kip h LEU 28 CO 0.61 0.69 0.64 -1.28 -0.34 0.00 0.00 178.44 178.76 3kip h SER 29 N 1.17 1.00 -0.21 1.25 0.87 -1.93 -2.44 113.55 113.26 3kip h SER 29 Ca 0.37 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.95 3kip h SER 29 Cb 0.01 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 3kip h SER 29 CO -0.11 0.62 0.14 0.44 -0.53 0.00 0.00 176.83 177.39 3kip h ASP 30 N 1.12 0.25 -0.49 6.23 3.32 -1.73 -1.57 116.42 123.55 3kip h ASP 30 Ca 0.44 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.48 3kip h ASP 30 Cb 0.24 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 3kip h ASP 30 CO -0.19 0.20 0.32 0.40 -1.72 0.00 0.00 179.24 178.25 3kip h ILE 31 N 0.28 1.12 0.03 0.35 2.04 -1.36 -0.38 117.51 119.60 3kip h ILE 31 Ca 0.08 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 65.73 3kip h ILE 31 Cb -0.02 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.45 3kip h ILE 31 CO -0.02 0.12 -0.14 -0.33 0.00 0.00 0.00 178.15 177.78 3kip h GLU 32 N 0.66 -0.24 -0.74 2.37 5.08 -1.29 -0.93 114.58 119.48 3kip h GLU 32 Ca 0.18 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.59 3kip h GLU 32 Cb -0.07 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 3kip h GLU 32 CO -0.04 -0.16 0.46 1.96 -1.00 0.00 0.00 179.01 180.23 3kip h GLN 33 N -0.25 0.86 -0.35 2.33 1.08 -0.51 -0.70 115.11 117.58 3kip h GLN 33 Ca 0.04 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.16 3kip h GLN 33 Cb 0.30 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 3kip h GLN 33 CO -0.12 0.57 0.11 0.00 -0.95 0.00 0.00 178.83 178.44 3kip h ALA 34 N 1.33 0.46 -0.61 3.87 0.00 -0.93 -0.21 119.26 123.17 3kip h ALA 34 Ca 0.31 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3kip h ALA 34 Cb 0.06 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3kip h ALA 34 CO -0.13 0.10 0.33 0.00 0.00 0.00 0.00 179.25 179.55 3kip h ALA 35 N 0.95 0.79 -0.17 0.00 0.00 -0.68 0.10 119.26 120.25 3kip h ALA 35 Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kip h ALA 35 Cb 0.26 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3kip h ALA 35 CO -0.00 0.31 0.11 0.82 0.00 0.00 0.00 179.25 180.49 3kip h ILE 36 N 0.83 1.06 -0.55 0.00 2.04 -0.86 -3.05 117.51 116.98 3kip h ILE 36 Ca 0.21 -0.12 -0.08 0.00 1.00 0.00 0.00 64.86 65.88 3kip h ILE 36 Cb 0.06 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 3kip h ILE 36 CO -0.03 0.05 0.04 -0.33 0.00 0.00 0.00 178.15 177.88 3kip h GLU 37 N 0.22 0.91 -0.52 2.37 4.39 -0.59 -2.18 114.58 119.18 3kip h GLU 37 Ca 0.06 -0.24 0.10 0.00 0.34 0.00 0.00 59.36 59.62 3kip h GLU 37 Cb -0.01 -0.11 -0.11 0.00 -0.10 0.00 0.00 28.75 28.43 3kip h GLU 37 CO -0.01 0.88 -0.26 0.37 -1.16 0.00 0.00 179.01 178.83 3kip h GLN 38 N 0.85 -0.13 -0.13 2.33 4.15 -0.77 0.19 115.11 121.61 3kip h GLN 38 Ca 0.17 0.01 -0.15 0.00 0.77 0.00 0.00 58.65 59.44 3kip h GLN 38 Cb 0.45 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 3kip h GLN 38 CO 0.02 -0.09 -0.56 0.00 -1.93 0.00 0.00 178.83 176.27 3kip h ALA 39 N 1.15 0.79 0.44 3.38 0.00 -1.30 -3.19 119.26 120.53 3kip h ALA 39 Ca 0.23 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3kip h ALA 39 Cb 0.50 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3kip h ALA 39 CO -0.60 0.69 -0.21 0.87 0.00 0.00 0.00 179.25 180.00 3kip h LYS 40 N 0.31 -0.56 0.00 0.00 1.57 -1.16 -2.94 116.57 113.79 3kip h LYS 40 Ca 0.00 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3kip h LYS 40 Cb 1.07 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3kip h LYS 40 CO 0.10 -0.26 0.00 -0.11 -0.57 0.00 0.00 179.45 178.60 3kip n LEU 41 N -5.20 0.00 -0.06 2.94 7.94 0.66 -0.51 117.00 122.77 3kip n LEU 41 Ca -0.10 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 54.91 3kip n LEU 41 Cb 0.29 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.30 3kip n LEU 41 CO 0.27 0.00 0.21 0.29 -1.11 0.00 0.00 177.39 177.05 3kip n LYS 42 N -0.59 0.17 0.00 1.96 4.76 -1.11 -5.00 118.16 118.35 3kip n LYS 42 Ca 0.00 -0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 3kip n LYS 42 Cb 0.00 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.69 3kip n LYS 42 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3kip n ASN 43 N -1.31 0.00 -2.28 4.39 5.15 0.33 -4.81 115.26 116.73 3kip n ASN 43 Ca 0.06 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.70 3kip n ASN 43 Cb 0.35 -0.76 0.07 0.00 -0.53 0.00 0.00 39.78 38.90 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 0.00 7.24 -3.88 1.20 6.94 -1.26 -4.89 115.26 120.60 3kip n ASN 44 Ca 0.00 -3.78 -0.25 0.00 -0.02 0.00 0.00 54.58 50.53 3kip n ASN 44 Cb 0.00 -0.87 -0.00 0.00 -2.36 0.00 0.00 39.78 36.55 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 -0.88 -1.03 -4.92 0.53 8.00 -1.26 -4.99 116.55 112.01 3kip n ASP 45 Ca 0.60 -0.93 -0.26 0.00 0.71 0.00 0.00 54.79 54.90 3kip n ASP 45 Cb 0.71 -3.43 0.01 0.00 -0.02 0.00 0.00 41.12 38.39 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 -4.25 6.00 -0.12 -2.24 0.01 -1.26 -4.90 113.70 106.95 3kip s SER 46 Ca 0.08 0.73 -0.25 0.00 1.31 0.00 0.00 55.95 57.83 3kip s SER 46 Cb -0.04 -1.96 0.06 0.00 0.21 0.00 0.00 66.02 64.29 3kip s SER 46 CO 0.86 -0.72 0.60 -0.70 0.41 0.00 0.00 173.24 173.69 3kip s GLU 47 N -4.76 0.88 -0.18 12.44 2.12 0.54 -4.38 118.70 125.35 3kip s GLU 47 Ca 0.49 0.42 0.01 0.00 0.36 0.00 0.00 54.97 56.25 3kip s GLU 47 Cb -0.10 0.41 0.03 0.00 0.26 0.00 0.00 34.13 34.74 3kip s GLU 47 CO 0.43 -0.22 -0.12 0.08 -0.54 0.00 0.00 175.26 174.89 3kip s VAL 48 N -0.63 1.68 0.35 3.70 1.01 -1.26 -0.46 120.40 124.79 3kip s VAL 48 Ca -0.07 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 60.88 3kip s VAL 48 Cb -0.02 -1.68 -0.07 0.00 0.00 0.00 0.00 36.38 34.60 3kip s VAL 48 CO 0.06 0.29 0.71 -0.76 0.00 0.00 0.00 175.10 175.40 3kip s LEU 49 N 1.40 3.97 0.01 3.92 1.43 0.55 -4.60 118.68 125.36 3kip s LEU 49 Ca 0.01 1.12 0.06 0.00 -1.03 0.00 0.00 54.13 54.29 3kip s LEU 49 Cb -0.15 -3.96 -0.02 0.00 0.03 0.00 0.00 46.19 42.10 3kip s LEU 49 CO -0.09 -0.28 -0.18 0.68 0.23 0.00 0.00 176.35 176.71 3kip s VAL 50 N -2.15 1.40 -0.03 -1.59 -7.23 -1.26 0.15 120.40 109.69 3kip s VAL 50 Ca 0.51 -0.89 -0.10 0.00 -1.81 0.00 0.00 61.98 59.69 3kip s VAL 50 Cb -0.10 -1.19 0.01 0.00 0.56 0.00 0.00 36.38 35.66 3kip s VAL 50 CO 0.25 0.29 0.22 0.12 -0.31 0.00 0.00 175.10 175.68 3kip s PHE 51 N -0.56 -0.11 -0.03 2.82 5.36 0.15 -4.96 117.98 120.64 3kip s PHE 51 Ca 0.06 0.20 -0.08 0.00 -0.96 0.00 0.00 56.93 56.15 3kip s PHE 51 Cb -0.07 0.04 0.01 0.00 -0.34 0.00 0.00 43.02 42.65 3kip s PHE 51 CO 0.00 -0.28 0.18 -1.14 -1.46 0.00 0.00 175.22 172.52 3kip s GLN 52 N -0.99 0.40 0.09 10.12 -0.44 -1.26 -0.24 119.66 127.33 3kip s GLN 52 Ca -0.11 -0.09 -0.22 0.00 -2.50 0.00 0.00 55.36 52.44 3kip s GLN 52 Cb -0.05 0.18 0.05 0.00 -1.64 0.00 0.00 33.01 31.55 3kip s GLN 52 CO 0.02 -0.09 0.53 0.45 0.50 0.00 0.00 175.29 176.70 3kip s SER 53 N -0.75 -0.45 0.04 6.67 0.15 -1.05 -4.98 113.70 113.33 3kip s SER 53 Ca -0.08 0.06 0.21 0.00 0.70 0.00 0.00 55.95 56.84 3kip s SER 53 Cb -0.05 0.52 -0.20 0.00 -1.71 0.00 0.00 66.02 64.58 3kip s SER 53 CO 0.01 -0.81 0.66 0.59 1.20 0.00 0.00 173.24 174.90 3kip n ASN 54 N 0.09 0.37 -4.63 5.45 3.02 -1.26 -2.09 115.26 116.20 3kip n ASN 54 Ca -0.18 0.15 -0.42 0.00 -0.03 0.00 0.00 54.58 54.11 3kip n ASN 54 Cb 0.62 1.21 -0.05 0.00 -0.61 0.00 0.00 39.78 40.95 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 -3.31 4.85 0.15 3.41 2.01 -1.26 -4.56 115.64 116.92 3kip s THR 55 Ca -0.05 1.38 -0.30 0.00 0.31 0.00 0.00 61.69 63.02 3kip s THR 55 Cb 0.11 -4.10 -0.05 0.00 0.01 0.00 0.00 72.50 68.47 3kip s THR 55 CO 0.85 -0.11 1.55 -0.08 -0.69 0.00 0.00 174.62 176.14 3kip h GLU 56 N 7.85 -0.22 -1.00 4.92 4.81 -2.00 -1.33 114.58 127.61 3kip h GLU 56 Ca -0.24 0.01 0.25 0.00 -0.13 0.00 0.00 59.36 59.25 3kip h GLU 56 Cb 1.10 0.05 -0.08 0.00 0.63 0.00 0.00 28.75 30.45 3kip h GLU 56 CO 0.86 -0.14 0.65 0.78 -0.73 0.00 0.00 179.01 180.43 3kip h GLY 57 N -0.23 1.05 1.68 1.92 0.00 -1.99 -1.38 103.07 104.12 3kip h GLY 57 Ca 0.13 -0.19 -0.18 0.00 0.00 0.00 0.00 47.33 47.09 3kip h GLY 57 CO -0.74 -0.08 -0.75 0.74 0.00 0.00 0.00 176.54 175.71 3kip h PHE 58 N 0.39 0.42 -0.18 5.60 0.04 -1.67 0.47 116.94 122.01 3kip h PHE 58 Ca 0.55 -0.19 -0.12 0.00 2.80 0.00 0.00 57.97 61.01 3kip h PHE 58 Cb 1.41 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 39.49 3kip h PHE 58 CO -0.00 0.95 -0.39 0.82 -0.60 0.00 0.00 178.31 179.08 3kip h ILE 59 N 0.20 1.30 -0.28 -0.55 2.04 -0.87 -0.97 117.51 118.37 3kip h ILE 59 Ca -0.03 -1.52 -0.10 0.00 1.00 0.00 0.00 64.86 64.21 3kip h ILE 59 Cb 1.33 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 39.00 3kip h ILE 59 CO 0.12 0.47 -0.23 0.40 0.00 0.00 0.00 178.15 178.91 3kip h ILE 60 N 0.33 1.30 -0.74 -0.67 2.04 -0.69 -1.31 117.51 117.77 3kip h ILE 60 Ca 0.03 -1.38 -0.01 0.00 1.00 0.00 0.00 64.86 64.51 3kip h ILE 60 Cb 0.84 1.56 -0.04 0.00 -0.74 0.00 0.00 36.82 38.45 3kip h ILE 60 CO 0.07 0.44 0.44 0.44 0.00 0.00 0.00 178.15 179.53 3kip h ASP 61 N 0.40 0.90 -0.20 1.72 3.32 -0.58 -1.05 116.42 120.92 3kip h ASP 61 Ca 0.05 -0.06 -0.15 0.00 0.02 0.00 0.00 57.03 56.89 3kip h ASP 61 Cb 0.78 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.11 3kip h ASP 61 CO 0.06 0.70 -0.48 -0.09 -1.72 0.00 0.00 179.24 177.71 3kip h ARG 62 N 1.03 0.67 -0.77 3.56 9.65 -0.88 -0.93 114.38 126.71 3kip h ARG 62 Ca 0.27 -0.46 0.05 0.00 -1.10 0.00 0.00 59.98 58.74 3kip h ARG 62 Cb -0.02 0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.58 3kip h ARG 62 CO -0.05 1.08 0.51 0.82 2.80 0.00 0.00 179.97 185.13 3kip h ILE 63 N 0.37 1.07 -0.35 1.20 2.04 -0.97 -0.39 117.51 120.48 3kip h ILE 63 Ca -0.00 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 3kip h ILE 63 Cb 1.09 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 3kip h ILE 63 CO 0.10 0.16 0.20 0.45 0.00 0.00 0.00 178.15 179.07 3kip h HIS 64 N 0.88 0.47 -0.16 1.37 3.86 0.09 -2.97 115.15 118.69 3kip h HIS 64 Ca 0.32 -0.01 -0.14 0.00 -1.16 0.00 0.00 60.37 59.38 3kip h HIS 64 Cb 0.15 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 3kip h HIS 64 CO -0.00 0.35 -0.50 1.05 0.86 0.00 0.00 177.93 179.69 3kip h GLU 65 N 0.45 0.44 -1.00 2.45 4.11 -0.85 -2.30 114.58 117.88 3kip h GLU 65 Ca 0.12 -0.26 0.22 0.00 0.07 0.00 0.00 59.36 59.52 3kip h GLU 65 Cb 0.03 0.02 -0.12 0.00 0.50 0.00 0.00 28.75 29.18 3kip h GLU 65 CO -0.02 0.84 0.60 0.00 0.07 0.00 0.00 179.01 180.50 3kip h ALA 66 N 1.11 1.74 0.55 1.06 0.00 -0.97 0.26 119.26 123.02 3kip h ALA 66 Ca 0.02 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3kip h ALA 66 Cb 1.00 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.78 3kip h ALA 66 CO 0.09 -0.18 -0.27 -0.22 0.00 0.00 0.00 179.25 178.67 3kip h LYS 67 N 0.65 -0.72 0.00 0.00 1.63 -1.26 0.46 116.57 117.34 3kip h LYS 67 Ca 0.62 0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 60.47 3kip h LYS 67 Cb 1.10 0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 32.89 3kip h LYS 67 CO -0.44 -0.45 -0.01 0.00 -3.45 0.00 0.00 179.45 175.10 3kip h ARG 68 N -0.80 0.00 -0.38 1.90 3.08 -0.88 0.28 114.38 117.58 3kip h ARG 68 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3kip h ARG 68 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 3kip h ARG 68 CO 0.12 0.01 0.00 0.94 -1.07 0.00 0.00 179.97 179.97 3kip n GLN 69 N -3.15 2.15 -3.10 0.04 7.27 0.73 -4.97 117.38 116.36 3kip n GLN 69 Ca -0.02 -1.75 -0.23 0.00 0.07 0.00 0.00 57.00 55.07 3kip n GLN 69 Cb 0.12 -1.43 0.04 0.00 2.41 0.00 0.00 30.24 31.38 3kip n GLN 69 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kip n GLY 70 N 1.32 -0.53 3.71 1.69 0.00 0.99 -4.98 105.19 107.39 3kip n GLY 70 Ca 0.18 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.20 3.78 -0.41 1.61 1.01 0.13 -4.70 120.40 118.61 3kip s VAL 71 Ca 0.34 1.26 0.23 0.00 0.00 0.00 0.00 61.98 63.82 3kip s VAL 71 Cb -0.15 -3.81 0.05 0.00 0.00 0.00 0.00 36.38 32.47 3kip s VAL 71 CO 0.42 0.09 1.21 1.23 0.00 0.00 0.00 175.10 178.05 3kip h GLY 72 N 6.97 0.00 -3.72 4.51 0.00 -1.62 -3.44 103.07 105.77 3kip h GLY 72 Ca -0.41 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.86 3kip h GLY 72 CO 0.84 0.00 0.11 -0.12 0.00 0.00 0.00 176.54 177.36 3kip s PHE 73 N -3.27 -0.52 -0.04 5.60 2.19 -1.22 -4.24 117.98 116.49 3kip s PHE 73 Ca 0.03 0.68 0.03 0.00 0.33 0.00 0.00 56.93 58.01 3kip s PHE 73 Cb 0.11 0.39 0.00 0.00 -1.31 0.00 0.00 43.02 42.21 3kip s PHE 73 CO 0.75 -0.65 -0.13 0.08 1.83 0.00 0.00 175.22 177.10 3kip s VAL 74 N -2.12 1.09 -0.20 3.12 1.01 -0.38 -1.58 120.40 121.34 3kip s VAL 74 Ca -0.07 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 3kip s VAL 74 Cb -0.01 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 35.41 3kip s VAL 74 CO 0.01 0.33 -0.06 -0.69 0.00 0.00 0.00 175.10 174.69 3kip s VAL 75 N 0.17 3.37 -0.09 2.92 1.01 -0.60 -0.71 120.40 126.46 3kip s VAL 75 Ca -0.04 -0.51 -0.00 0.00 0.00 0.00 0.00 61.98 61.43 3kip s VAL 75 Cb -0.10 -2.51 0.02 0.00 0.00 0.00 0.00 36.38 33.79 3kip s VAL 75 CO 0.01 0.45 -0.06 -0.51 0.00 0.00 0.00 175.10 174.99 3kip s ILE 76 N 1.16 0.84 -0.54 2.22 2.07 0.35 -0.63 121.20 126.68 3kip s ILE 76 Ca 0.02 -0.19 -0.13 0.00 -1.41 0.00 0.00 60.65 58.93 3kip s ILE 76 Cb -0.14 -0.89 0.13 0.00 0.13 0.00 0.00 42.46 41.69 3kip s ILE 76 CO -0.01 0.33 0.46 0.21 -1.91 0.00 0.00 174.94 174.03 3kip s ASN 77 N 1.64 6.05 0.00 4.50 3.84 -0.71 -0.08 114.94 130.18 3kip s ASN 77 Ca 0.02 -1.91 0.22 0.00 0.21 0.00 0.00 52.86 51.41 3kip s ASN 77 Cb -0.13 -2.14 1.14 0.00 -0.55 0.00 0.00 41.25 39.57 3kip s ASN 77 CO -0.06 -0.78 1.72 0.00 -2.79 0.00 0.00 177.10 175.19 3kip n ALA 78 N 5.02 2.16 -0.76 1.71 0.00 -1.26 -0.26 120.51 127.12 3kip n ALA 78 Ca -0.10 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3kip n ALA 78 Cb 0.41 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 0.58 3.25 0.20 0.00 0.00 -1.26 -1.49 105.19 106.48 3kip n GLY 79 Ca 0.11 -0.11 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.76 1.41 0.00 4.61 0.00 -1.94 -2.48 119.26 120.10 3kip h ALA 80 Ca 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3kip h ALA 80 Cb 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3kip h ALA 80 CO 0.00 0.37 -0.00 1.88 0.00 0.00 0.00 179.25 181.50 3kip h TYR 81 N 0.00 0.00 -1.02 0.00 0.05 -1.64 -0.67 116.97 113.69 3kip h TYR 81 Ca -0.00 0.00 0.31 0.00 0.05 0.00 0.00 58.73 59.09 3kip h TYR 81 Cb 0.56 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 38.15 3kip h TYR 81 CO 0.00 0.00 0.60 1.15 -1.05 0.00 0.00 178.16 178.86 3kip h THR 82 N 0.00 0.34 0.00 -2.88 2.02 -1.54 0.24 112.91 111.08 3kip h THR 82 Ca -0.00 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.06 3kip h THR 82 Cb 0.15 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.51 3kip h THR 82 CO 0.00 0.06 -0.98 1.41 0.37 0.00 0.00 175.52 176.38 3kip n HIS 83 N -4.98 0.02 0.00 3.16 8.25 -0.26 -0.25 115.22 121.17 3kip n HIS 83 Ca 0.31 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.78 3kip n HIS 83 Cb 0.97 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.97 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 -1.58 0.00 -2.95 1.59 -2.24 -0.92 -4.80 114.28 103.38 3kip n THR 84 Ca 0.04 -0.01 -0.44 0.00 -2.27 0.00 0.00 64.05 61.37 3kip n THR 84 Cb 0.35 0.37 -0.03 0.00 -2.10 0.00 0.00 70.33 68.93 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 -1.38 6.58 0.49 3.42 0.15 0.78 -4.81 113.70 118.94 3kip s SER 85 Ca 0.00 -1.96 0.29 0.00 0.70 0.00 0.00 55.95 54.97 3kip s SER 85 Cb 0.00 -2.39 0.92 0.00 -1.71 0.00 0.00 66.02 62.84 3kip s SER 85 CO 0.00 -1.07 1.82 0.58 1.20 0.00 0.00 173.24 175.76 3kip h VAL 86 N 5.80 0.00 0.59 4.45 2.07 -1.95 -3.00 116.25 124.22 3kip h VAL 86 Ca 0.10 -0.71 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 3kip h VAL 86 Cb 1.03 1.71 0.01 0.00 -1.52 0.00 0.00 31.29 32.51 3kip h VAL 86 CO 1.10 0.00 -0.29 1.23 0.02 0.00 0.00 177.57 179.63 3kip h GLY 87 N 2.92 -0.83 -0.06 2.17 0.00 -1.97 -1.40 103.07 103.90 3kip h GLY 87 Ca 0.00 0.31 0.20 0.00 0.00 0.00 0.00 47.33 47.84 3kip h GLY 87 CO 0.00 -0.30 0.42 -2.22 0.00 0.00 0.00 176.54 174.44 3kip h ILE 88 N -1.03 0.56 -0.19 2.60 2.04 -1.90 -0.54 117.51 119.05 3kip h ILE 88 Ca -0.08 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 3kip h ILE 88 Cb 0.67 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 3kip h ILE 88 CO 0.13 0.09 0.12 -0.09 0.00 0.00 0.00 178.15 178.40 3kip h ARG 89 N 0.48 0.26 0.00 2.37 2.43 -1.35 -2.32 114.38 116.25 3kip h ARG 89 Ca 0.53 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.66 3kip h ARG 89 Cb 0.93 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.43 3kip h ARG 89 CO -0.47 0.21 -0.10 -0.44 -1.51 0.00 0.00 179.97 177.66 3kip h ASP 90 N 0.23 0.00 0.04 -3.80 3.32 -0.49 -1.74 116.42 113.98 3kip h ASP 90 Ca 0.07 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.88 3kip h ASP 90 Cb 0.02 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.59 3kip h ASP 90 CO -0.01 0.10 -0.97 0.00 -1.72 0.00 0.00 179.24 176.63 3kip h ALA 91 N 1.90 0.07 -0.07 3.45 0.00 -0.61 0.14 119.26 124.15 3kip h ALA 91 Ca -0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 54.91 54.22 3kip h ALA 91 Cb 0.36 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3kip h ALA 91 CO 0.01 0.59 0.02 -0.07 0.00 0.00 0.00 179.25 179.80 3kip h LEU 92 N 0.20 0.11 -1.06 0.00 3.38 -1.11 -1.04 115.31 115.80 3kip h LEU 92 Ca -0.13 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 3kip h LEU 92 Cb 1.65 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 42.34 3kip h LEU 92 CO 0.19 0.28 0.46 -0.07 0.09 0.00 0.00 178.44 179.39 3kip h LEU 93 N -0.08 0.99 -0.56 1.67 3.38 -1.36 0.43 115.31 119.78 3kip h LEU 93 Ca 0.02 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.76 3kip h LEU 93 Cb 0.22 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3kip h LEU 93 CO -0.00 0.78 -0.64 1.23 0.09 0.00 0.00 178.44 179.91 3kip h GLY 94 N 1.15 0.35 0.79 0.83 0.00 -0.39 -2.74 103.07 103.05 3kip h GLY 94 Ca 0.29 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.17 3kip h GLY 94 CO -0.05 0.40 -0.98 -1.30 0.00 0.00 0.00 176.54 174.61 3kip n THR 95 N -3.87 0.31 -1.87 4.70 -2.24 -0.42 -4.99 114.28 105.91 3kip n THR 95 Ca -0.03 -0.33 -0.05 0.00 -2.27 0.00 0.00 64.05 61.37 3kip n THR 95 Cb 0.64 -0.01 -0.01 0.00 -2.10 0.00 0.00 70.33 68.85 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 -1.93 -0.13 -2.65 6.98 0.00 0.12 -4.97 120.51 117.93 3kip n ALA 96 Ca 0.01 0.05 -0.40 0.00 0.00 0.00 0.00 53.44 53.10 3kip n ALA 96 Cb 0.47 -0.89 -0.06 0.00 0.00 0.00 0.00 19.45 18.97 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 -2.23 4.98 0.64 0.00 1.01 -1.05 -5.03 121.20 119.53 3kip s ILE 97 Ca 0.00 1.25 -0.17 0.00 0.00 0.00 0.00 60.65 61.73 3kip s ILE 97 Cb 0.00 -3.98 -0.01 0.00 0.01 0.00 0.00 42.46 38.48 3kip s ILE 97 CO 0.00 0.07 1.22 -2.84 0.00 0.00 0.00 174.94 173.39 3kip s PRO 98 N 2.14 2.66 0.14 2.79 0.02 -1.26 -4.77 135.00 136.72 3kip s PRO 98 Ca 0.30 1.83 -0.09 0.00 0.02 0.00 0.00 61.00 63.06 3kip s PRO 98 Cb -0.16 -1.89 -0.01 0.00 0.02 0.00 0.00 34.50 32.47 3kip s PRO 98 CO 0.10 -1.45 0.25 -0.59 -0.33 0.00 0.00 177.00 174.98 3kip s PHE 99 N -1.69 0.31 -0.08 6.54 -0.71 -1.26 -1.24 117.98 119.84 3kip s PHE 99 Ca 0.77 -0.69 0.03 0.00 -1.04 0.00 0.00 56.93 56.00 3kip s PHE 99 Cb -0.31 -0.05 0.00 0.00 -1.21 0.00 0.00 43.02 41.45 3kip s PHE 99 CO 0.38 -0.66 -0.19 0.42 -1.34 0.00 0.00 175.22 173.83 3kip s ILE 100 N -3.93 1.61 -0.20 -4.49 1.01 0.11 0.48 121.20 115.79 3kip s ILE 100 Ca 0.13 -0.77 -0.21 0.00 0.00 0.00 0.00 60.65 59.80 3kip s ILE 100 Cb 0.04 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 41.07 3kip s ILE 100 CO -0.04 0.46 0.62 -0.70 0.00 0.00 0.00 174.94 175.29 3kip s GLU 101 N 0.40 4.21 -0.07 2.79 2.12 -0.88 -0.50 118.70 126.78 3kip s GLU 101 Ca -0.14 0.61 0.03 0.00 0.36 0.00 0.00 54.97 55.82 3kip s GLU 101 Cb -0.16 -3.58 -0.02 0.00 0.26 0.00 0.00 34.13 30.63 3kip s GLU 101 CO 0.06 -0.24 -0.15 0.08 -0.54 0.00 0.00 175.26 174.47 3kip s VAL 102 N 1.91 2.99 -0.13 3.70 1.01 0.89 -1.55 120.40 129.22 3kip s VAL 102 Ca 0.28 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.53 3kip s VAL 102 Cb -0.16 -2.18 0.02 0.00 0.00 0.00 0.00 36.38 34.06 3kip s VAL 102 CO 0.10 0.58 -0.10 -1.00 0.00 0.00 0.00 175.10 174.68 3kip s HIS 103 N -0.46 1.75 0.29 5.22 3.76 -0.44 -4.14 115.29 121.27 3kip s HIS 103 Ca 0.06 -0.92 0.01 0.00 -0.15 0.00 0.00 55.06 54.06 3kip s HIS 103 Cb -0.12 -1.37 0.56 0.00 1.11 0.00 0.00 32.58 32.75 3kip s HIS 103 CO 0.02 -0.57 1.86 0.82 -0.85 0.00 0.00 174.74 176.02 3kip h ILE 104 N 6.13 0.97 -1.68 0.60 2.04 -1.88 -0.89 117.51 122.80 3kip h ILE 104 Ca -0.33 -0.34 -0.56 0.00 1.00 0.00 0.00 64.86 64.63 3kip h ILE 104 Cb 1.13 -0.12 -0.08 0.00 -0.74 0.00 0.00 36.82 37.02 3kip h ILE 104 CO 0.45 0.18 -0.51 0.42 0.00 0.00 0.00 178.15 178.70 3kip s THR 105 N -5.93 2.52 -0.91 -0.27 -4.23 -1.26 -2.11 115.64 103.45 3kip s THR 105 Ca -0.12 -1.69 -0.24 0.00 -1.18 0.00 0.00 61.69 58.46 3kip s THR 105 Cb 0.21 -2.98 0.05 0.00 1.34 0.00 0.00 72.50 71.12 3kip s THR 105 CO 0.81 -0.06 1.37 0.21 -0.54 0.00 0.00 174.62 176.41 3kip s ASN 106 N -3.90 6.37 0.61 3.99 3.84 -1.26 -2.99 114.94 121.61 3kip s ASN 106 Ca 0.40 -1.09 0.25 0.00 0.21 0.00 0.00 52.86 52.64 3kip s ASN 106 Cb 0.02 -2.56 1.09 0.00 -0.55 0.00 0.00 41.25 39.25 3kip s ASN 106 CO 0.23 -1.62 1.53 -0.37 -2.79 0.00 0.00 177.10 174.08 3kip h VAL 107 N 6.48 0.12 0.00 -5.21 -1.51 -1.91 -0.66 116.25 113.56 3kip h VAL 107 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.48 3kip h VAL 107 Cb 1.03 0.27 0.00 0.00 -2.13 0.00 0.00 31.29 30.46 3kip h VAL 107 CO 1.36 0.00 0.00 0.45 -1.23 0.00 0.00 177.57 178.15 3kip h HIS 108 N 0.00 0.00 0.00 5.19 3.86 -1.88 -1.33 115.15 120.99 3kip h HIS 108 Ca 0.31 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.52 3kip h HIS 108 Cb 2.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.52 3kip h HIS 108 CO 0.00 0.00 0.00 1.04 0.86 0.00 0.00 177.93 179.83 3kip n GLN 109 N -3.07 0.07 -2.73 2.45 6.02 -0.25 -4.93 117.38 114.94 3kip n GLN 109 Ca 0.02 0.15 -0.15 0.00 -0.01 0.00 0.00 57.00 57.01 3kip n GLN 109 Cb 0.42 -1.50 0.02 0.00 1.02 0.00 0.00 30.24 30.20 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 -1.45 0.88 -1.52 -1.09 1.74 -0.50 -5.03 116.66 109.69 3kip n ARG 110 Ca 0.06 -2.15 -0.50 0.00 -0.77 0.00 0.00 57.85 54.48 3kip n ARG 110 Cb 0.21 0.08 -0.04 0.00 -1.02 0.00 0.00 32.46 31.69 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 -1.53 0.69 -0.28 5.56 4.71 -1.26 -4.81 120.64 123.73 3kip n GLU 111 Ca 0.03 0.25 0.21 0.00 -0.01 0.00 0.00 57.16 57.64 3kip n GLU 111 Cb 0.40 -1.63 0.39 0.00 -1.01 0.00 0.00 31.44 29.60 3kip n GLU 111 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 3kip n PRO 112 N 1.46 -0.06 0.33 3.49 -0.01 -1.26 -0.51 135.00 138.45 3kip n PRO 112 Ca 0.16 1.19 0.20 0.00 -0.01 0.00 0.00 63.50 65.04 3kip n PRO 112 Cb 0.22 -2.03 1.06 0.00 -0.01 0.00 0.00 33.50 32.73 3kip n PRO 112 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 175.50 175.76 3kip h PHE 113 N 0.00 0.00 -0.01 6.00 -5.15 -1.98 -1.13 116.94 114.68 3kip h PHE 113 Ca 0.63 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.40 3kip h PHE 113 Cb 1.53 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.70 3kip h PHE 113 CO -0.18 0.00 -0.20 0.54 -2.00 0.00 0.00 178.31 176.47 3kip n ARG 114 N -3.03 1.07 0.18 6.09 1.74 0.34 -3.18 116.66 119.86 3kip n ARG 114 Ca -0.02 -0.64 0.04 0.00 -0.77 0.00 0.00 57.85 56.45 3kip n ARG 114 Cb 0.20 -1.49 0.31 0.00 -1.02 0.00 0.00 32.46 30.46 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 1.57 0.00 -3.61 -1.55 3.86 -1.32 -3.45 115.15 110.65 3kip h HIS 115 Ca 0.00 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.70 3kip h HIS 115 Cb 0.52 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.00 3kip h HIS 115 CO 0.00 0.43 0.47 -0.65 0.86 0.00 0.00 177.93 179.04 3kip s GLN 116 N -3.68 4.61 0.01 2.45 1.11 -1.19 -5.06 119.66 117.91 3kip s GLN 116 Ca -0.01 1.72 0.03 0.00 0.01 0.00 0.00 55.36 57.12 3kip s GLN 116 Cb 0.12 -3.26 -0.01 0.00 -1.01 0.00 0.00 33.01 28.84 3kip s GLN 116 CO 0.70 0.12 -0.10 0.45 0.01 0.00 0.00 175.29 176.47 3kip s SER 117 N -0.28 1.22 0.00 5.90 0.15 -1.26 -4.42 113.70 115.01 3kip s SER 117 Ca 0.48 -0.29 0.27 0.00 0.70 0.00 0.00 55.95 57.11 3kip s SER 117 Cb -0.30 -0.10 0.88 0.00 -1.71 0.00 0.00 66.02 64.80 3kip s SER 117 CO 0.36 0.06 1.65 -1.22 1.20 0.00 0.00 173.24 175.28 3kip n TYR 118 N 2.43 0.00 -0.10 3.44 4.01 0.66 -4.34 117.16 123.25 3kip n TYR 118 Ca -0.16 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.41 3kip n TYR 118 Cb 0.56 -0.01 -0.13 0.00 -0.31 0.00 0.00 39.34 39.45 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 0.24 2.54 -0.19 7.72 4.77 -1.26 -4.77 117.00 126.05 3kip n LEU 119 Ca 0.17 -0.05 -0.01 0.00 -0.03 0.00 0.00 56.01 56.10 3kip n LEU 119 Cb 0.39 -0.76 0.08 0.00 -2.33 0.00 0.00 43.42 40.79 3kip n LEU 119 CO 0.18 0.86 0.82 0.28 -1.33 0.00 0.00 177.39 178.20 3kip h SER 120 N 0.01 -0.30 0.76 -1.43 0.02 -1.94 0.50 113.55 111.17 3kip h SER 120 Ca -0.54 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 3kip h SER 120 Cb 1.97 0.27 0.00 0.00 0.14 0.00 0.00 62.40 64.77 3kip h SER 120 CO -0.04 -0.12 0.00 -0.90 -1.14 0.00 0.00 176.83 174.63 3kip n ASP 121 N -5.29 0.70 -0.00 3.07 5.75 -1.26 -2.19 116.55 117.33 3kip n ASP 121 Ca 0.07 0.67 0.09 0.00 -0.01 0.00 0.00 54.79 55.61 3kip n ASP 121 Cb 0.32 -0.82 -0.13 0.00 -1.03 0.00 0.00 41.12 39.46 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 -2.26 0.69 -1.95 0.11 4.76 -0.09 -5.01 118.16 114.41 3kip n LYS 122 Ca 0.02 -0.10 -0.34 0.00 -2.87 0.00 0.00 58.31 55.02 3kip n LYS 122 Cb 0.24 -1.42 0.03 0.00 -1.84 0.00 0.00 35.03 32.04 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 -3.08 2.54 0.07 7.82 0.00 -0.03 -4.78 121.76 124.30 3kip s ALA 123 Ca -0.01 0.71 -0.17 0.00 0.00 0.00 0.00 51.96 52.50 3kip s ALA 123 Cb 0.13 -3.35 -0.14 0.00 0.00 0.00 0.00 23.12 19.76 3kip s ALA 123 CO 0.79 -1.11 1.32 0.28 0.00 0.00 0.00 175.76 177.04 3kip h VAL 124 N 0.53 1.34 -4.40 0.00 2.07 -0.28 -3.46 116.25 112.04 3kip h VAL 124 Ca -0.48 -1.63 -0.19 0.00 0.82 0.00 0.00 66.70 65.21 3kip h VAL 124 Cb 1.26 1.92 -0.14 0.00 -1.52 0.00 0.00 31.29 32.81 3kip h VAL 124 CO 0.55 0.50 -0.58 0.00 0.02 0.00 0.00 177.57 178.06 3kip s ALA 125 N -4.00 0.84 -0.16 1.67 0.00 -1.25 -5.07 121.76 113.79 3kip s ALA 125 Ca -0.13 -1.47 -0.01 0.00 0.00 0.00 0.00 51.96 50.35 3kip s ALA 125 Cb 0.07 1.08 0.04 0.00 0.00 0.00 0.00 23.12 24.31 3kip s ALA 125 CO 0.82 -0.56 -0.02 0.08 0.00 0.00 0.00 175.76 176.08 3kip s VAL 126 N -4.08 0.83 -0.12 0.00 1.01 -1.26 -2.07 120.40 114.71 3kip s VAL 126 Ca 0.29 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.75 3kip s VAL 126 Cb 0.06 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 3kip s VAL 126 CO 0.06 0.07 0.04 -0.63 0.00 0.00 0.00 175.10 174.64 3kip s ILE 127 N 1.75 4.63 -0.30 2.22 1.01 -0.60 -5.01 121.20 124.91 3kip s ILE 127 Ca 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 60.65 60.54 3kip s ILE 127 Cb -0.15 -3.01 0.19 0.00 0.01 0.00 0.00 42.46 39.50 3kip s ILE 127 CO -0.07 0.56 0.61 0.00 0.00 0.00 0.00 174.94 176.03 3kip n GLY 129 N 5.43 0.98 0.98 0.00 0.00 -0.34 -4.59 105.19 107.65 3kip n GLY 129 Ca -0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.06 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 2.80 0.00 0.99 7.94 -1.25 -4.69 117.00 122.79 3kip n LEU 130 Ca 0.00 -1.41 0.00 0.00 -1.11 0.00 0.00 56.01 53.49 3kip n LEU 130 Cb 0.00 -0.42 0.00 0.00 0.53 0.00 0.00 43.42 43.53 3kip n LEU 130 CO 0.00 0.50 0.00 0.61 -1.11 0.00 0.00 177.39 177.39 3kip n GLY 131 N 0.76 1.30 0.24 -3.96 0.00 -0.90 -3.43 105.19 99.21 3kip n GLY 131 Ca 0.14 -0.60 0.12 0.00 0.00 0.00 0.00 46.02 45.68 3kip n GLY 131 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3kip h VAL 132 N 0.00 0.41 0.00 1.61 -1.51 -1.95 -2.48 116.25 112.33 3kip h VAL 132 Ca 0.00 -0.86 -0.00 0.00 -1.23 0.00 0.00 66.70 64.61 3kip h VAL 132 Cb 0.00 1.62 -0.00 0.00 -2.13 0.00 0.00 31.29 30.78 3kip h VAL 132 CO 0.00 0.15 -0.01 0.22 -1.23 0.00 0.00 177.57 176.70 3kip h TYR 133 N 0.00 0.00 -0.58 5.19 3.20 -1.96 -1.71 116.97 121.12 3kip h TYR 133 Ca -0.00 0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.97 3kip h TYR 133 Cb 0.61 0.00 -0.11 0.00 1.54 0.00 0.00 36.73 38.77 3kip h TYR 133 CO 0.00 0.01 -0.32 0.78 -1.64 0.00 0.00 178.16 176.98 3kip h GLY 134 N 0.30 -0.09 0.16 1.82 0.00 -1.48 0.28 103.07 104.07 3kip h GLY 134 Ca -0.00 0.42 0.12 0.00 0.00 0.00 0.00 47.33 47.87 3kip h GLY 134 CO 0.00 -0.21 0.17 -0.97 0.00 0.00 0.00 176.54 175.53 3kip h TYR 135 N -0.16 0.27 -0.42 5.60 0.05 -1.53 -1.61 116.97 119.17 3kip h TYR 135 Ca 0.23 0.04 -0.09 0.00 0.05 0.00 0.00 58.73 58.96 3kip h TYR 135 Cb 0.55 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.24 3kip h TYR 135 CO -0.62 -0.01 -0.10 1.15 -1.05 0.00 0.00 178.16 177.52 3kip h THR 136 N 0.30 1.25 -0.01 -2.88 2.02 -1.07 -0.46 112.91 112.06 3kip h THR 136 Ca 0.34 -1.14 -0.20 0.00 0.77 0.00 0.00 66.41 66.18 3kip h THR 136 Cb 0.52 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 3kip h THR 136 CO -0.41 0.39 -0.87 0.00 0.37 0.00 0.00 175.52 175.00 3kip h ALA 137 N 1.21 0.49 -0.55 6.16 0.00 -0.85 -1.38 119.26 124.34 3kip h ALA 137 Ca 0.12 -0.70 -0.05 0.00 0.00 0.00 0.00 54.91 54.28 3kip h ALA 137 Cb 0.57 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3kip h ALA 137 CO 0.04 0.86 0.16 0.00 0.00 0.00 0.00 179.25 180.30 3kip h ALA 138 N 0.90 0.72 -0.38 0.00 0.00 -0.76 -1.99 119.26 117.74 3kip h ALA 138 Ca -0.05 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 3kip h ALA 138 Cb 1.49 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3kip h ALA 138 CO 0.14 0.39 -0.33 0.82 0.00 0.00 0.00 179.25 180.27 3kip h ILE 139 N 0.76 1.28 -0.74 0.00 2.04 -0.97 0.16 117.51 120.04 3kip h ILE 139 Ca 0.17 -1.49 0.04 0.00 1.00 0.00 0.00 64.86 64.58 3kip h ILE 139 Cb 0.29 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.67 3kip h ILE 139 CO -0.00 0.50 0.48 -0.33 0.00 0.00 0.00 178.15 178.80 3kip h GLU 140 N 0.71 0.83 0.13 2.37 4.39 -1.04 -0.40 114.58 121.58 3kip h GLU 140 Ca 0.07 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 3kip h GLU 140 Cb 0.89 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 3kip h GLU 140 CO 0.08 0.55 -0.06 -0.92 -1.16 0.00 0.00 179.01 177.50 3kip h TYR 141 N 0.86 -0.16 -0.72 4.33 5.03 -0.86 -2.99 116.97 122.46 3kip h TYR 141 Ca 0.30 -0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.67 3kip h TYR 141 Cb 0.11 0.05 -0.09 0.00 1.55 0.00 0.00 36.73 38.36 3kip h TYR 141 CO -0.00 0.27 -0.43 0.00 -1.32 0.00 0.00 178.16 176.69 3kip n ALA 142 N -2.61 -0.46 0.25 1.82 0.00 0.50 -1.59 120.51 118.42 3kip n ALA 142 Ca -0.07 0.62 0.17 0.00 0.00 0.00 0.00 53.44 54.16 3kip n ALA 142 Cb 0.25 -0.06 0.89 0.00 0.00 0.00 0.00 19.45 20.54 3kip n ALA 142 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3kip h LEU 143 N 0.00 0.00 -3.39 0.00 3.38 -1.11 -1.62 115.31 112.57 3kip h LEU 143 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3kip h LEU 143 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3kip h LEU 143 CO -0.68 0.00 0.00 0.59 0.09 0.00 0.00 178.44 178.44 3kip n ASN 144 N -3.69 5.01 -4.91 -0.43 4.13 -0.62 -4.21 115.26 110.54 3kip n ASN 144 Ca -0.00 -2.84 -0.33 0.00 1.68 0.00 0.00 54.58 53.09 3kip n ASN 144 Cb 0.24 -0.62 -0.05 0.00 -1.54 0.00 0.00 39.78 37.82 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 -2.56 3.54 -0.32 3.10 5.04 -0.61 -4.97 117.35 120.56 3kip s TYR 145 Ca 0.50 0.37 -0.22 0.00 -2.44 0.00 0.00 57.07 55.27 3kip s TYR 145 Cb 0.37 -1.84 0.00 0.00 0.35 0.00 0.00 41.96 40.84 3kip s TYR 145 CO 0.16 0.61 0.74 -0.65 -1.34 0.00 0.00 175.55 175.07 3kip s GLN 146 N -2.16 3.88 0.00 4.97 -0.21 -1.26 -2.51 119.66 122.37 3kip s GLN 146 Ca 0.31 0.42 0.00 0.00 0.02 0.00 0.00 55.36 56.11 3kip s GLN 146 Cb -0.13 -3.75 0.00 0.00 1.00 0.00 0.00 33.01 30.13 3kip s GLN 146 CO 0.22 -0.70 0.19 1.28 -2.12 0.00 0.00 175.29 174.16