#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 4.17 0.00 4.08 1.01 -0.95 -4.60 120.40 124.12 3kip s VAL 1 Ca 0.00 1.06 0.00 0.00 0.00 0.00 0.00 61.98 63.04 3kip s VAL 1 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.82 3kip s VAL 1 CO 0.00 -0.58 0.00 0.29 0.00 0.00 0.00 175.10 174.81 3kip n LYS 2 N -1.72 0.00 -3.14 2.72 5.02 -1.26 -4.83 118.16 114.95 3kip n LYS 2 Ca 0.08 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.94 3kip n LYS 2 Cb 0.53 -0.49 -0.07 0.00 -0.02 0.00 0.00 35.03 34.98 3kip n LYS 2 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3kip s LYS 3 N -1.54 3.33 -0.04 1.97 2.47 -1.26 -0.93 119.74 123.73 3kip s LYS 3 Ca 0.00 -0.35 0.06 0.00 -1.56 0.00 0.00 55.97 54.12 3kip s LYS 3 Cb 0.00 -3.93 -0.02 0.00 -1.46 0.00 0.00 37.83 32.43 3kip s LYS 3 CO 0.00 -0.94 -0.23 0.08 0.16 0.00 0.00 175.35 174.42 3kip s VAL 4 N 2.71 2.28 -0.19 4.02 1.01 -0.42 -0.87 120.40 128.93 3kip s VAL 4 Ca 0.21 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 3kip s VAL 4 Cb -0.15 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 3kip s VAL 4 CO 0.18 0.58 -0.06 -0.22 0.00 0.00 0.00 175.10 175.57 3kip s LEU 5 N -0.42 2.88 -0.25 3.92 2.96 -0.68 -0.96 118.68 126.13 3kip s LEU 5 Ca 0.04 -0.35 -0.17 0.00 -0.22 0.00 0.00 54.13 53.43 3kip s LEU 5 Cb -0.12 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 3kip s LEU 5 CO 0.01 0.04 0.46 -0.22 -1.32 0.00 0.00 176.35 175.32 3kip s LEU 6 N 1.11 4.07 -0.08 -0.68 2.96 0.41 -1.31 118.68 125.15 3kip s LEU 6 Ca 0.01 0.47 0.03 0.00 -0.22 0.00 0.00 54.13 54.42 3kip s LEU 6 Cb -0.15 -2.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.95 3kip s LEU 6 CO -0.01 -0.22 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.01 3kip s ILE 7 N 2.04 2.80 0.01 6.68 1.01 -0.18 -0.56 121.20 133.00 3kip s ILE 7 Ca 0.19 -0.79 0.07 0.00 0.00 0.00 0.00 60.65 60.12 3kip s ILE 7 Cb -0.16 -2.11 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 3kip s ILE 7 CO 0.09 0.56 -0.20 0.20 0.00 0.00 0.00 174.94 175.59 3kip s ASN 8 N -0.20 2.38 0.00 3.58 -0.87 -0.46 -1.26 114.94 118.12 3kip s ASN 8 Ca -0.01 -0.42 0.00 0.00 -1.57 0.00 0.00 52.86 50.86 3kip s ASN 8 Cb -0.13 -0.24 0.00 0.00 -0.02 0.00 0.00 41.25 40.86 3kip s ASN 8 CO 0.03 0.21 0.00 0.61 -2.57 0.00 0.00 177.10 175.38 3kip n GLY 9 N 2.30 2.05 3.77 0.66 0.00 -0.17 -2.74 105.19 111.06 3kip n GLY 9 Ca -0.16 -1.91 -0.33 0.00 0.00 0.00 0.00 46.02 43.62 3kip n GLY 9 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kip s PRO 10 N 3.79 2.63 0.00 1.61 0.04 -1.16 -3.21 135.00 138.70 3kip s PRO 10 Ca 0.00 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.42 3kip s PRO 10 Cb 0.00 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.61 3kip s PRO 10 CO 0.00 -1.38 0.00 0.09 0.04 0.00 0.00 177.00 175.75 3kip n ASN 11 N -2.66 0.00 -0.06 6.66 3.02 -1.26 -4.49 115.26 116.46 3kip n ASN 11 Ca 0.10 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.74 3kip n ASN 11 Cb 0.52 -0.43 0.46 0.00 -0.61 0.00 0.00 39.78 39.73 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 0.42 -1.21 3.41 3.38 -1.92 0.88 115.31 120.28 3kip h LEU 12 Ca 0.00 0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.22 3kip h LEU 12 Cb 0.00 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3kip h LEU 12 CO 0.00 0.28 1.05 -0.55 0.09 0.00 0.00 178.44 179.31 3kip h ASN 13 N 0.48 0.00 0.65 -0.43 -1.07 -1.87 -1.91 115.58 111.42 3kip h ASN 13 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.60 3kip h ASN 13 Cb 0.31 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.56 3kip h ASN 13 CO -0.06 0.00 -0.15 0.18 0.07 0.00 0.00 177.43 177.47 3kip n LEU 14 N -3.30 0.26 -4.73 6.14 4.77 0.30 -4.67 117.00 115.78 3kip n LEU 14 Ca 0.19 0.21 -0.41 0.00 -0.03 0.00 0.00 56.01 55.97 3kip n LEU 14 Cb 1.32 -0.32 -0.04 0.00 -2.33 0.00 0.00 43.42 42.05 3kip n LEU 14 CO 0.23 0.06 0.81 -1.48 -1.33 0.00 0.00 177.39 175.68 3kip s LEU 15 N -2.79 4.45 -0.38 2.23 2.34 -0.72 -1.14 118.68 122.67 3kip s LEU 15 Ca 0.19 2.05 0.01 0.00 0.06 0.00 0.00 54.13 56.44 3kip s LEU 15 Cb 0.19 -3.60 0.12 0.00 -0.56 0.00 0.00 46.19 42.35 3kip s LEU 15 CO 0.55 -0.29 0.17 -0.83 -1.06 0.00 0.00 176.35 174.88 3kip s GLY 16 N 0.27 1.46 -0.08 -3.48 0.00 -1.08 -3.37 107.32 101.05 3kip s GLY 16 Ca 0.52 -2.24 0.13 0.00 0.00 0.00 0.00 44.72 43.13 3kip s GLY 16 CO 0.33 1.54 1.37 2.41 0.00 0.00 0.00 173.10 178.75 3kip n THR 17 N 4.08 1.25 -0.07 0.90 -1.04 -0.29 -4.69 114.28 114.42 3kip n THR 17 Ca 0.04 -0.81 -0.08 0.00 -2.04 0.00 0.00 64.05 61.16 3kip n THR 17 Cb 0.38 0.03 -0.03 0.00 -1.82 0.00 0.00 70.33 68.89 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 0.74 0.45 0.00 -2.82 0.63 -1.26 -5.22 116.66 109.18 3kip n ARG 18 Ca 0.18 0.18 0.00 0.00 -0.92 0.00 0.00 57.85 57.29 3kip n ARG 18 Cb 0.65 -1.29 0.00 0.00 0.45 0.00 0.00 32.46 32.27 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 -4.20 0.00 -2.25 -0.14 9.36 -1.26 -5.07 117.16 113.59 3kip n TYR 23 Ca -0.12 0.00 -0.25 0.00 3.32 0.00 0.00 57.90 60.85 3kip n TYR 23 Cb 0.44 0.00 0.08 0.00 -0.63 0.00 0.00 39.34 39.23 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 -0.49 1.72 0.00 2.98 0.00 -1.26 -4.92 107.32 105.34 3kip s GLY 24 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 43.65 3kip s GLY 24 CO 0.00 -0.62 0.84 -1.30 0.00 0.00 0.00 173.10 172.01 3kip n THR 25 N -2.94 0.84 -2.99 0.90 -2.24 -1.26 -4.44 114.28 102.14 3kip n THR 25 Ca 0.09 -0.03 -0.41 0.00 -2.27 0.00 0.00 64.05 61.44 3kip n THR 25 Cb 0.60 -0.93 -0.05 0.00 -2.10 0.00 0.00 70.33 67.86 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 0.24 4.92 0.32 4.28 2.01 -1.26 -4.76 115.64 121.39 3kip s THR 26 Ca 0.00 1.40 0.04 0.00 0.31 0.00 0.00 61.69 63.44 3kip s THR 26 Cb 0.00 -4.04 -0.02 0.00 0.01 0.00 0.00 72.50 68.45 3kip s THR 26 CO 0.00 0.01 0.48 -0.94 -0.69 0.00 0.00 174.62 173.48 3kip s SER 27 N 1.30 6.11 0.13 3.53 1.04 -1.26 -2.63 113.70 121.92 3kip s SER 27 Ca 0.32 0.07 -0.19 0.00 0.48 0.00 0.00 55.95 56.64 3kip s SER 27 Cb -0.16 -1.61 -0.05 0.00 0.10 0.00 0.00 66.02 64.30 3kip s SER 27 CO 0.09 -0.33 1.76 0.25 0.98 0.00 0.00 173.24 175.99 3kip h LEU 28 N 0.88 0.30 -0.93 2.42 5.85 -1.79 -1.00 115.31 121.03 3kip h LEU 28 Ca -0.48 -0.04 0.24 0.00 0.84 0.00 0.00 57.88 58.44 3kip h LEU 28 Cb 1.24 -0.08 -0.17 0.00 0.37 0.00 0.00 40.66 42.03 3kip h LEU 28 CO 0.57 0.25 -0.01 -1.28 -0.34 0.00 0.00 178.44 177.63 3kip h SER 29 N 0.33 -0.49 -0.06 1.25 0.87 -1.93 -0.26 113.55 113.26 3kip h SER 29 Ca 0.09 0.26 0.03 0.00 -1.23 0.00 0.00 61.79 60.94 3kip h SER 29 Cb -0.00 0.46 -0.04 0.00 -0.44 0.00 0.00 62.40 62.38 3kip h SER 29 CO -0.02 -0.30 -0.16 0.44 -0.53 0.00 0.00 176.83 176.26 3kip h ASP 30 N 0.04 -0.48 -0.84 6.23 3.32 -1.56 -1.44 116.42 121.68 3kip h ASP 30 Ca 0.54 0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.65 3kip h ASP 30 Cb 1.04 0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.77 3kip h ASP 30 CO -0.87 -0.21 0.46 0.40 -1.72 0.00 0.00 179.24 177.30 3kip h ILE 31 N -0.23 1.25 0.66 0.35 2.04 -0.88 -0.92 117.51 119.78 3kip h ILE 31 Ca 0.07 -0.61 -0.03 0.00 1.00 0.00 0.00 64.86 65.28 3kip h ILE 31 Cb 0.33 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 3kip h ILE 31 CO -0.19 0.28 -0.33 -0.33 0.00 0.00 0.00 178.15 177.57 3kip h GLU 32 N 1.18 -0.87 -0.61 2.37 5.08 -0.89 -1.88 114.58 118.95 3kip h GLU 32 Ca 0.30 0.06 0.13 0.00 -1.00 0.00 0.00 59.36 58.84 3kip h GLU 32 Cb 0.03 0.20 -0.10 0.00 0.50 0.00 0.00 28.75 29.38 3kip h GLU 32 CO -0.05 -0.58 0.05 1.96 -1.00 0.00 0.00 179.01 179.39 3kip h GLN 33 N -0.91 0.16 -0.37 2.33 1.08 -0.95 0.14 115.11 116.60 3kip h GLN 33 Ca -0.09 -0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 57.03 3kip h GLN 33 Cb 0.70 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.08 3kip h GLN 33 CO 0.14 0.11 -0.09 0.00 -0.95 0.00 0.00 178.83 178.04 3kip h ALA 34 N 1.54 1.17 -0.02 3.87 0.00 -1.08 0.20 119.26 124.93 3kip h ALA 34 Ca 0.32 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3kip h ALA 34 Cb 0.52 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3kip h ALA 34 CO -0.48 0.53 -0.03 0.00 0.00 0.00 0.00 179.25 179.27 3kip h ALA 35 N 1.33 0.03 -0.58 0.00 0.00 -0.67 -1.12 119.26 118.26 3kip h ALA 35 Ca 0.11 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 54.84 3kip h ALA 35 Cb 0.50 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 3kip h ALA 35 CO 0.03 -0.19 0.18 0.82 0.00 0.00 0.00 179.25 180.09 3kip h ILE 36 N -0.43 0.74 -0.31 0.00 2.04 -0.38 -1.57 117.51 117.60 3kip h ILE 36 Ca 0.00 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 3kip h ILE 36 Cb 0.54 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 3kip h ILE 36 CO 0.01 0.06 0.13 -0.33 0.00 0.00 0.00 178.15 178.02 3kip h GLU 37 N 0.34 0.43 -0.23 2.37 4.39 -0.60 -2.82 114.58 118.45 3kip h GLU 37 Ca 0.29 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.92 3kip h GLU 37 Cb 0.38 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 3kip h GLU 37 CO -0.32 0.35 0.06 0.37 -1.16 0.00 0.00 179.01 178.31 3kip h GLN 38 N 0.43 0.37 0.05 2.33 4.15 -0.16 -2.13 115.11 120.16 3kip h GLN 38 Ca 0.11 -0.09 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 3kip h GLN 38 Cb 0.09 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.73 3kip h GLN 38 CO -0.01 0.48 -0.02 0.00 -1.93 0.00 0.00 178.83 177.34 3kip h ALA 39 N 0.88 -0.07 -0.50 3.38 0.00 -1.53 -3.22 119.26 118.20 3kip h ALA 39 Ca 0.07 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.05 3kip h ALA 39 Cb 0.27 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.00 3kip h ALA 39 CO 0.00 -0.51 -0.09 0.87 0.00 0.00 0.00 179.25 179.52 3kip h LYS 40 N -0.12 0.03 -0.57 0.00 1.57 -1.25 -1.42 116.57 114.81 3kip h LYS 40 Ca -0.01 -0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.89 3kip h LYS 40 Cb 0.10 -0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.29 3kip h LYS 40 CO 0.01 0.02 -0.16 1.25 -0.57 0.00 0.00 179.45 180.00 3kip h LEU 41 N 0.03 -0.59 -1.91 2.94 5.85 -1.42 -1.71 115.31 118.50 3kip h LEU 41 Ca 0.25 0.18 0.46 0.00 0.84 0.00 0.00 57.88 59.60 3kip h LEU 41 Cb 0.38 0.38 -0.07 0.00 0.37 0.00 0.00 40.66 41.71 3kip h LEU 41 CO -0.49 -0.20 1.11 0.11 -0.34 0.00 0.00 178.44 178.63 3kip h LYS 42 N -0.02 0.02 0.00 1.25 1.79 -1.26 -3.44 116.57 114.91 3kip h LYS 42 Ca 0.27 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 3kip h LYS 42 Cb 0.44 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 3kip h LYS 42 CO -0.60 0.01 0.00 -1.71 -1.08 0.00 0.00 179.45 176.07 3kip n ASN 43 N -4.14 0.00 -2.61 0.86 5.15 -0.64 -4.87 115.26 109.00 3kip n ASN 43 Ca 0.36 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 54.02 3kip n ASN 43 Cb 1.61 -0.14 -0.01 0.00 -0.53 0.00 0.00 39.78 40.72 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 6.93 -3.93 1.20 0.23 -1.26 -4.81 115.26 113.62 3kip n ASN 44 Ca 0.00 -3.47 -0.31 0.00 -0.53 0.00 0.00 54.58 50.28 3kip n ASN 44 Cb 0.00 -1.15 0.02 0.00 -2.08 0.00 0.00 39.78 36.57 3kip n ASN 44 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3kip n ASP 45 N 0.23 -4.69 -4.90 0.53 8.00 -1.26 -4.99 116.55 109.47 3kip n ASP 45 Ca 0.51 -0.79 -0.21 0.00 0.71 0.00 0.00 54.79 55.01 3kip n ASP 45 Cb 0.44 -3.82 -0.02 0.00 -0.02 0.00 0.00 41.12 37.69 3kip n ASP 45 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3kip s SER 46 N -3.32 5.11 -0.06 -2.24 1.04 -1.26 -4.92 113.70 108.04 3kip s SER 46 Ca 0.66 -0.73 -0.16 0.00 0.48 0.00 0.00 55.95 56.19 3kip s SER 46 Cb -0.33 -0.49 0.03 0.00 0.10 0.00 0.00 66.02 65.33 3kip s SER 46 CO 0.84 -0.72 0.38 -1.61 0.98 0.00 0.00 173.24 173.11 3kip s GLU 47 N -4.19 0.65 -0.14 4.02 2.02 -0.11 -4.41 118.70 116.54 3kip s GLU 47 Ca 0.49 0.11 -0.01 0.00 0.02 0.00 0.00 54.97 55.58 3kip s GLU 47 Cb -0.04 0.30 -0.01 0.00 0.10 0.00 0.00 34.13 34.47 3kip s GLU 47 CO 0.29 -0.16 -0.12 0.08 0.02 0.00 0.00 175.26 175.37 3kip s VAL 48 N -0.80 3.09 0.13 2.63 1.01 -1.26 -1.30 120.40 123.90 3kip s VAL 48 Ca -0.09 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.27 3kip s VAL 48 Cb -0.04 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 3kip s VAL 48 CO 0.04 0.51 0.25 -0.76 0.00 0.00 0.00 175.10 175.14 3kip s LEU 49 N 0.48 4.30 -0.01 3.92 1.43 -0.13 -4.75 118.68 123.93 3kip s LEU 49 Ca -0.09 0.17 0.06 0.00 -1.03 0.00 0.00 54.13 53.25 3kip s LEU 49 Cb -0.16 -2.88 -0.02 0.00 0.03 0.00 0.00 46.19 43.17 3kip s LEU 49 CO 0.04 0.08 -0.21 0.68 0.23 0.00 0.00 176.35 177.18 3kip s VAL 50 N -1.68 1.64 0.01 -1.59 -7.23 -1.26 -0.44 120.40 109.84 3kip s VAL 50 Ca 0.34 -0.92 -0.06 0.00 -1.81 0.00 0.00 61.98 59.53 3kip s VAL 50 Cb -0.11 -1.37 -0.00 0.00 0.56 0.00 0.00 36.38 35.46 3kip s VAL 50 CO 0.28 0.43 0.12 0.12 -0.31 0.00 0.00 175.10 175.74 3kip s PHE 51 N -0.52 0.07 -0.18 2.82 5.36 0.28 -4.96 117.98 120.84 3kip s PHE 51 Ca 0.08 -0.19 -0.11 0.00 -0.96 0.00 0.00 56.93 55.75 3kip s PHE 51 Cb -0.08 -0.07 0.06 0.00 -0.34 0.00 0.00 43.02 42.59 3kip s PHE 51 CO -0.00 -0.28 0.44 -1.14 -1.46 0.00 0.00 175.22 172.77 3kip s GLN 52 N -1.42 0.44 0.04 10.12 -0.44 -1.26 -1.35 119.66 125.79 3kip s GLN 52 Ca -0.15 0.79 -0.10 0.00 -2.50 0.00 0.00 55.36 53.41 3kip s GLN 52 Cb -0.08 0.03 0.00 0.00 -1.64 0.00 0.00 33.01 31.33 3kip s GLN 52 CO 0.01 -0.14 0.20 0.45 0.50 0.00 0.00 175.29 176.31 3kip s SER 53 N 1.22 0.03 0.00 6.67 0.15 -1.11 -4.99 113.70 115.67 3kip s SER 53 Ca -0.08 -0.36 0.23 0.00 0.70 0.00 0.00 55.95 56.44 3kip s SER 53 Cb -0.07 0.29 0.06 0.00 -1.71 0.00 0.00 66.02 64.59 3kip s SER 53 CO -0.11 -0.56 1.12 0.59 1.20 0.00 0.00 173.24 175.49 3kip n ASN 54 N 0.70 1.64 -4.64 5.45 3.02 -1.26 -2.98 115.26 117.19 3kip n ASN 54 Ca -0.19 -1.29 -0.40 0.00 -0.03 0.00 0.00 54.58 52.68 3kip n ASN 54 Cb 0.59 0.54 -0.07 0.00 -0.61 0.00 0.00 39.78 40.23 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 -2.61 5.06 0.16 3.41 2.01 -1.26 -4.66 115.64 117.75 3kip s THR 55 Ca 0.17 1.00 -0.22 0.00 0.31 0.00 0.00 61.69 62.94 3kip s THR 55 Cb 0.18 -3.87 0.06 0.00 0.01 0.00 0.00 72.50 68.88 3kip s THR 55 CO 0.63 0.11 1.61 -0.08 -0.69 0.00 0.00 174.62 176.20 3kip h GLU 56 N 7.72 -0.23 -0.51 4.92 4.81 -2.00 -2.01 114.58 127.28 3kip h GLU 56 Ca -0.30 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.04 3kip h GLU 56 Cb 1.14 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 30.48 3kip h GLU 56 CO 0.74 -0.16 -0.06 0.78 -0.73 0.00 0.00 179.01 179.59 3kip h GLY 57 N -0.24 0.46 0.76 1.92 0.00 -2.00 0.66 103.07 104.62 3kip h GLY 57 Ca 0.17 0.11 0.06 0.00 0.00 0.00 0.00 47.33 47.67 3kip h GLY 57 CO -0.50 -0.17 0.62 0.74 0.00 0.00 0.00 176.54 177.23 3kip h PHE 58 N 0.06 1.15 -0.35 5.60 0.04 -1.93 0.12 116.94 121.64 3kip h PHE 58 Ca 0.25 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 61.03 3kip h PHE 58 Cb 0.39 -0.38 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 3kip h PHE 58 CO -0.37 0.61 0.12 0.82 -0.60 0.00 0.00 178.31 178.89 3kip h ILE 59 N 1.14 1.14 0.04 -0.55 2.04 -0.17 0.16 117.51 121.32 3kip h ILE 59 Ca 0.41 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 3kip h ILE 59 Cb 0.14 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 3kip h ILE 59 CO -0.16 0.18 -0.02 0.40 0.00 0.00 0.00 178.15 178.54 3kip h ILE 60 N 0.49 1.31 -1.03 -0.67 2.04 -0.52 -2.32 117.51 116.81 3kip h ILE 60 Ca 0.12 -1.27 0.26 0.00 1.00 0.00 0.00 64.86 64.97 3kip h ILE 60 Cb 0.13 2.14 -0.11 0.00 -0.74 0.00 0.00 36.82 38.24 3kip h ILE 60 CO -0.01 0.32 0.64 0.44 0.00 0.00 0.00 178.15 179.53 3kip h ASP 61 N -0.63 0.56 0.06 1.72 3.32 -0.58 0.03 116.42 120.89 3kip h ASP 61 Ca -0.01 0.12 -0.18 0.00 0.02 0.00 0.00 57.03 56.98 3kip h ASP 61 Cb 0.56 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 3kip h ASP 61 CO 0.01 0.08 -0.65 -0.09 -1.72 0.00 0.00 179.24 176.87 3kip h ARG 62 N 0.48 0.57 -0.19 3.56 9.65 -0.45 -2.17 114.38 125.81 3kip h ARG 62 Ca 0.63 -0.41 -0.04 0.00 -1.10 0.00 0.00 59.98 59.06 3kip h ARG 62 Cb 1.41 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 30.05 3kip h ARG 62 CO -0.40 1.03 -0.03 0.82 2.80 0.00 0.00 179.97 184.18 3kip h ILE 63 N 0.41 1.28 -0.44 1.20 2.04 -0.46 -1.32 117.51 120.22 3kip h ILE 63 Ca -0.02 -0.99 0.09 0.00 1.00 0.00 0.00 64.86 64.95 3kip h ILE 63 Cb 1.23 1.54 -0.09 0.00 -0.74 0.00 0.00 36.82 38.76 3kip h ILE 63 CO 0.12 0.30 -0.21 0.45 0.00 0.00 0.00 178.15 178.81 3kip h HIS 64 N 0.09 -0.52 -0.35 1.37 3.86 -1.36 -1.85 115.15 116.38 3kip h HIS 64 Ca 0.05 0.05 0.08 0.00 -1.16 0.00 0.00 60.37 59.38 3kip h HIS 64 Cb 0.47 0.30 -0.08 0.00 1.06 0.00 0.00 27.41 29.16 3kip h HIS 64 CO 0.05 -0.29 -0.15 1.49 0.86 0.00 0.00 177.93 179.89 3kip h GLU 65 N -0.12 -0.08 -0.53 2.45 4.81 -1.26 -2.18 114.58 117.67 3kip h GLU 65 Ca 0.21 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.54 3kip h GLU 65 Cb 0.44 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.76 3kip h GLU 65 CO -0.51 -0.05 0.06 0.00 -0.73 0.00 0.00 179.01 177.77 3kip h ALA 66 N 1.20 0.56 -0.59 2.92 0.00 -0.60 -0.15 119.26 122.61 3kip h ALA 66 Ca 0.18 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3kip h ALA 66 Cb 0.35 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3kip h ALA 66 CO -0.41 -0.35 0.37 -0.22 0.00 0.00 0.00 179.25 178.64 3kip h LYS 67 N 0.18 0.78 0.00 0.00 1.63 -0.73 -0.13 116.57 118.30 3kip h LYS 67 Ca 0.27 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.98 3kip h LYS 67 Cb 0.40 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 31.85 3kip h LYS 67 CO -0.40 0.54 -0.17 0.00 -3.45 0.00 0.00 179.45 175.97 3kip h ARG 68 N 0.80 0.00 -0.52 1.90 3.08 -0.69 -1.51 114.38 117.44 3kip h ARG 68 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3kip h ARG 68 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 3kip h ARG 68 CO -0.04 0.17 0.00 1.04 -1.07 0.00 0.00 179.97 180.06 3kip n GLN 69 N -3.88 2.31 -3.60 0.04 6.02 -0.29 -4.90 117.38 113.07 3kip n GLN 69 Ca -0.02 -1.81 -0.27 0.00 -0.01 0.00 0.00 57.00 54.89 3kip n GLN 69 Cb 0.26 -1.46 0.02 0.00 1.02 0.00 0.00 30.24 30.09 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 1.19 -0.50 3.67 1.08 0.00 -0.57 -4.92 105.19 105.14 3kip n GLY 70 Ca 0.17 0.16 -0.45 0.00 0.00 0.00 0.00 46.02 45.90 3kip n GLY 70 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kip n VAL 71 N -4.50 0.33 0.62 1.61 0.31 -0.22 -4.73 118.33 111.75 3kip n VAL 71 Ca 0.00 -0.08 0.11 0.00 -0.01 0.00 0.00 64.34 64.36 3kip n VAL 71 Cb 0.55 -1.54 -0.04 0.00 -0.91 0.00 0.00 33.84 31.90 3kip n VAL 71 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kip n GLY 72 N 2.98 -1.11 3.43 2.92 0.00 -0.05 -4.75 105.19 108.61 3kip n GLY 72 Ca 0.15 -0.48 -0.15 0.00 0.00 0.00 0.00 46.02 45.54 3kip n GLY 72 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kip s PHE 73 N -3.18 -0.52 -0.08 1.61 2.19 -1.22 -4.24 117.98 112.53 3kip s PHE 73 Ca 0.03 1.03 0.04 0.00 0.33 0.00 0.00 56.93 58.36 3kip s PHE 73 Cb 0.15 0.26 0.00 0.00 -1.31 0.00 0.00 43.02 42.13 3kip s PHE 73 CO 0.84 -0.45 -0.21 0.08 1.83 0.00 0.00 175.22 177.30 3kip s VAL 74 N -0.75 1.80 -0.29 3.12 1.01 0.06 -1.69 120.40 123.67 3kip s VAL 74 Ca -0.08 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 60.94 3kip s VAL 74 Cb -0.03 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 3kip s VAL 74 CO 0.06 0.50 0.10 -0.69 0.00 0.00 0.00 175.10 175.07 3kip s VAL 75 N 0.36 4.26 -0.05 2.92 1.01 -0.43 -0.94 120.40 127.53 3kip s VAL 75 Ca -0.16 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.36 3kip s VAL 75 Cb -0.17 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.09 3kip s VAL 75 CO 0.07 0.14 -0.09 -0.51 0.00 0.00 0.00 175.10 174.71 3kip s ILE 76 N 1.57 0.85 -0.33 2.22 2.07 -0.62 -1.01 121.20 125.94 3kip s ILE 76 Ca 0.04 -0.33 0.04 0.00 -1.41 0.00 0.00 60.65 58.99 3kip s ILE 76 Cb -0.17 -0.80 0.10 0.00 0.13 0.00 0.00 42.46 41.72 3kip s ILE 76 CO 0.04 0.29 0.04 0.21 -1.91 0.00 0.00 174.94 173.61 3kip s ASN 77 N 0.64 4.71 0.00 4.50 3.84 -0.39 -0.51 114.94 127.73 3kip s ASN 77 Ca -0.11 -2.08 0.27 0.00 0.21 0.00 0.00 52.86 51.15 3kip s ASN 77 Cb -0.14 -1.59 1.45 0.00 -0.55 0.00 0.00 41.25 40.42 3kip s ASN 77 CO 0.02 -0.37 1.95 0.00 -2.79 0.00 0.00 177.10 175.91 3kip n ALA 78 N 4.29 2.40 -0.68 1.71 0.00 -1.26 -1.00 120.51 125.97 3kip n ALA 78 Ca 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3kip n ALA 78 Cb 0.42 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 0.95 2.21 0.42 0.00 0.00 -1.26 -1.23 105.19 106.28 3kip n GLY 79 Ca 0.15 -0.38 0.24 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.68 2.58 0.00 4.61 0.00 -1.94 -1.16 119.26 122.66 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 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3kip h ALA 80 CO 0.00 -0.88 0.00 1.88 0.00 0.00 0.00 179.25 180.25 3kip h TYR 81 N 0.00 0.00 -0.93 0.00 0.05 -1.54 -1.43 116.97 113.12 3kip h TYR 81 Ca 0.32 0.00 0.24 0.00 0.05 0.00 0.00 58.73 59.34 3kip h TYR 81 Cb 1.37 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 39.05 3kip h TYR 81 CO 0.00 0.00 0.63 1.15 -1.05 0.00 0.00 178.16 178.89 3kip h THR 82 N 0.00 0.60 0.00 -2.88 2.02 -1.29 -1.33 112.91 110.04 3kip h THR 82 Ca 0.00 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3kip h THR 82 Cb 0.28 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 3kip h THR 82 CO 0.00 0.05 -1.27 1.41 0.37 0.00 0.00 175.52 176.07 3kip n HIS 83 N -4.44 0.02 0.00 3.16 8.25 -0.54 -0.35 115.22 121.31 3kip n HIS 83 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 3kip n HIS 83 Cb 0.83 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.76 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 -1.74 0.00 -3.44 1.59 -2.24 -0.98 -4.77 114.28 102.70 3kip n THR 84 Ca 0.02 -0.15 -0.43 0.00 -2.27 0.00 0.00 64.05 61.21 3kip n THR 84 Cb 0.40 0.62 -0.07 0.00 -2.10 0.00 0.00 70.33 69.19 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 -1.20 5.96 0.22 3.42 0.15 -0.54 -4.89 113.70 116.83 3kip s SER 85 Ca 0.00 -1.92 0.14 0.00 0.70 0.00 0.00 55.95 54.87 3kip s SER 85 Cb 0.00 -2.10 -0.01 0.00 -1.71 0.00 0.00 66.02 62.19 3kip s SER 85 CO 0.00 -0.75 1.34 0.58 1.20 0.00 0.00 173.24 175.60 3kip h VAL 86 N 5.94 0.98 -0.75 4.45 2.07 -1.95 -3.12 116.25 123.88 3kip h VAL 86 Ca -0.23 -2.42 -0.05 0.00 0.82 0.00 0.00 66.70 64.82 3kip h VAL 86 Cb 1.08 2.46 -0.03 0.00 -1.52 0.00 0.00 31.29 33.28 3kip h VAL 86 CO 0.93 0.56 0.27 1.23 0.02 0.00 0.00 177.57 180.58 3kip h GLY 87 N 3.43 1.23 0.99 2.17 0.00 -1.98 -0.65 103.07 108.26 3kip h GLY 87 Ca -0.03 -0.69 -0.01 0.00 0.00 0.00 0.00 47.33 46.61 3kip h GLY 87 CO 0.08 0.65 0.32 -2.22 0.00 0.00 0.00 176.54 175.37 3kip h ILE 88 N 1.10 1.18 -0.92 2.60 2.04 -1.91 -1.64 117.51 119.96 3kip h ILE 88 Ca 0.25 -0.43 0.08 0.00 1.00 0.00 0.00 64.86 65.76 3kip h ILE 88 Cb 0.26 0.44 -0.07 0.00 -0.74 0.00 0.00 36.82 36.71 3kip h ILE 88 CO -0.01 0.19 0.57 -0.09 0.00 0.00 0.00 178.15 178.81 3kip h ARG 89 N 0.76 0.98 0.00 2.37 2.43 -1.34 -2.00 114.38 117.57 3kip h ARG 89 Ca 0.20 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 3kip h ARG 89 Cb 0.02 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 3kip h ARG 89 CO -0.03 0.65 -0.25 -0.44 -1.51 0.00 0.00 179.97 178.38 3kip h ASP 90 N 1.01 0.00 0.28 -3.80 5.19 -0.70 -0.76 116.42 117.64 3kip h ASP 90 Ca 0.41 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 56.55 3kip h ASP 90 Cb 0.25 0.00 0.02 0.00 0.18 0.00 0.00 39.33 39.77 3kip h ASP 90 CO -0.20 0.25 -1.16 0.00 -3.12 0.00 0.00 179.24 175.01 3kip h ALA 91 N 1.75 0.12 -0.50 3.45 0.00 -0.92 1.13 119.26 124.28 3kip h ALA 91 Ca -0.00 -0.78 -0.07 0.00 0.00 0.00 0.00 54.91 54.06 3kip h ALA 91 Cb 1.15 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 3kip h ALA 91 CO 0.03 0.78 0.05 -0.07 0.00 0.00 0.00 179.25 180.04 3kip h LEU 92 N 0.23 0.82 -0.42 0.00 3.38 -1.08 -1.16 115.31 117.08 3kip h LEU 92 Ca -0.15 -0.28 -0.18 0.00 0.09 0.00 0.00 57.88 57.37 3kip h LEU 92 Cb 1.83 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 42.36 3kip h LEU 92 CO 0.21 0.89 -0.64 -0.07 0.09 0.00 0.00 178.44 178.92 3kip h LEU 93 N 0.72 0.63 0.33 1.67 3.38 -1.13 -0.78 115.31 120.13 3kip h LEU 93 Ca 0.15 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3kip h LEU 93 Cb 0.44 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3kip h LEU 93 CO 0.02 1.11 -0.38 1.23 0.09 0.00 0.00 178.44 180.50 3kip h GLY 94 N 1.05 -0.88 1.62 0.83 0.00 0.15 -2.77 103.07 103.07 3kip h GLY 94 Ca -0.01 0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.76 3kip h GLY 94 CO 0.12 -0.30 -0.01 -1.30 0.00 0.00 0.00 176.54 175.05 3kip n THR 95 N -5.48 0.00 -2.61 4.70 -2.24 -0.45 -4.94 114.28 103.27 3kip n THR 95 Ca -0.10 -0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.49 3kip n THR 95 Cb 0.38 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 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 -1.32 -0.76 -2.62 6.98 0.00 -0.32 -4.96 120.51 117.51 3kip n ALA 96 Ca 0.13 0.18 -0.41 0.00 0.00 0.00 0.00 53.44 53.34 3kip n ALA 96 Cb 0.26 -2.49 -0.06 0.00 0.00 0.00 0.00 19.45 17.16 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 -2.99 4.97 0.60 0.00 1.01 -1.06 -5.02 121.20 118.71 3kip s ILE 97 Ca 0.09 1.09 -0.16 0.00 0.00 0.00 0.00 60.65 61.67 3kip s ILE 97 Cb -0.04 -3.95 -0.03 0.00 0.01 0.00 0.00 42.46 38.44 3kip s ILE 97 CO 0.11 -0.01 1.07 -2.16 0.00 0.00 0.00 174.94 173.95 3kip s PRO 98 N 2.54 3.21 0.04 2.79 0.04 -1.26 -4.71 135.00 137.66 3kip s PRO 98 Ca 0.26 1.26 -0.07 0.00 0.04 0.00 0.00 61.00 62.50 3kip s PRO 98 Cb -0.15 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 3kip s PRO 98 CO 0.09 -0.90 0.14 -0.59 0.04 0.00 0.00 177.00 175.77 3kip s PHE 99 N -2.39 0.14 0.09 0.56 -0.71 -1.26 -0.76 117.98 113.65 3kip s PHE 99 Ca 0.65 -0.42 0.08 0.00 -1.04 0.00 0.00 56.93 56.20 3kip s PHE 99 Cb -0.17 -0.10 -0.04 0.00 -1.21 0.00 0.00 43.02 41.50 3kip s PHE 99 CO 0.37 -0.39 -0.16 0.42 -1.34 0.00 0.00 175.22 174.12 3kip s ILE 100 N -2.63 2.96 -0.18 -4.49 1.01 -0.11 -0.51 121.20 117.25 3kip s ILE 100 Ca -0.05 -1.35 -0.01 0.00 0.00 0.00 0.00 60.65 59.25 3kip s ILE 100 Cb -0.01 -2.33 -0.00 0.00 0.01 0.00 0.00 42.46 40.13 3kip s ILE 100 CO -0.04 0.18 -0.13 -0.70 0.00 0.00 0.00 174.94 174.25 3kip s GLU 101 N -1.94 3.24 -0.07 2.79 2.12 -0.50 -1.59 118.70 122.75 3kip s GLU 101 Ca 0.18 -0.72 0.03 0.00 0.36 0.00 0.00 54.97 54.82 3kip s GLU 101 Cb -0.11 -2.73 -0.02 0.00 0.26 0.00 0.00 34.13 31.53 3kip s GLU 101 CO 0.09 -0.07 -0.17 0.08 -0.54 0.00 0.00 175.26 174.66 3kip s VAL 102 N 1.05 2.80 -0.11 3.70 1.01 0.33 -1.17 120.40 128.01 3kip s VAL 102 Ca -0.01 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.19 3kip s VAL 102 Cb -0.15 -2.10 0.02 0.00 0.00 0.00 0.00 36.38 34.15 3kip s VAL 102 CO -0.03 0.57 -0.14 -1.00 0.00 0.00 0.00 175.10 174.49 3kip s HIS 103 N -0.28 1.90 0.25 5.22 3.76 -0.76 -4.15 115.29 121.24 3kip s HIS 103 Ca 0.01 -0.89 -0.05 0.00 -0.15 0.00 0.00 55.06 53.98 3kip s HIS 103 Cb -0.13 -1.39 0.29 0.00 1.11 0.00 0.00 32.58 32.47 3kip s HIS 103 CO 0.03 -0.47 1.91 0.82 -0.85 0.00 0.00 174.74 176.18 3kip h ILE 104 N 5.98 1.20 -1.98 0.60 2.04 -1.89 -0.93 117.51 122.53 3kip h ILE 104 Ca -0.31 -0.43 -0.58 0.00 1.00 0.00 0.00 64.86 64.53 3kip h ILE 104 Cb 1.17 -0.18 -0.11 0.00 -0.74 0.00 0.00 36.82 36.96 3kip h ILE 104 CO 0.48 0.23 -0.63 0.42 0.00 0.00 0.00 178.15 178.65 3kip s THR 105 N -6.10 2.70 -0.90 -0.27 -4.23 -1.26 -1.85 115.64 103.74 3kip s THR 105 Ca -0.13 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.13 3kip s THR 105 Cb 0.18 -2.76 0.03 0.00 1.34 0.00 0.00 72.50 71.30 3kip s THR 105 CO 0.81 -0.24 1.43 0.21 -0.54 0.00 0.00 174.62 176.30 3kip s ASN 106 N -3.69 6.26 0.61 3.99 3.04 -1.26 -3.09 114.94 120.79 3kip s ASN 106 Ca 0.34 -0.98 0.27 0.00 0.04 0.00 0.00 52.86 52.52 3kip s ASN 106 Cb -0.01 -2.56 1.29 0.00 -1.54 0.00 0.00 41.25 38.42 3kip s ASN 106 CO 0.19 -1.73 1.71 -0.37 -3.04 0.00 0.00 177.10 173.86 3kip h VAL 107 N 6.56 0.20 0.00 -5.21 -1.51 -1.92 -0.79 116.25 113.58 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 0.44 0.00 0.00 -2.13 0.00 0.00 31.29 30.63 3kip h VAL 107 CO 1.36 0.00 0.00 1.41 -1.23 0.00 0.00 177.57 179.11 3kip n HIS 108 N -3.41 0.53 0.80 5.19 8.25 -1.26 -0.82 115.22 124.49 3kip n HIS 108 Ca 0.10 0.20 0.13 0.00 -0.26 0.00 0.00 57.72 57.89 3kip n HIS 108 Cb 0.85 -0.82 0.43 0.00 1.12 0.00 0.00 29.99 31.57 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 -1.97 0.14 -0.07 -0.41 6.02 -0.30 -4.94 117.38 115.85 3kip n GLN 109 Ca 0.03 0.10 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 3kip n GLN 109 Cb 0.23 -1.64 0.00 0.00 1.02 0.00 0.00 30.24 29.85 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 -1.88 2.68 -1.71 -1.09 1.74 -0.00 -5.03 116.66 111.37 3kip n ARG 110 Ca 0.06 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.71 3kip n ARG 110 Cb 0.39 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.82 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 -0.08 2.27 -0.29 5.56 4.71 -1.26 -4.88 120.64 126.67 3kip n GLU 111 Ca 0.00 0.80 0.26 0.00 -0.01 0.00 0.00 57.16 58.21 3kip n GLU 111 Cb 0.00 -2.46 0.60 0.00 -1.01 0.00 0.00 31.44 28.58 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 3.48 0.23 0.00 3.49 0.11 -1.94 0.66 132.00 138.03 3kip h PRO 112 Ca -0.46 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 3kip h PRO 112 Cb 1.27 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3kip h PRO 112 CO 0.70 0.15 -0.01 0.27 -0.21 0.00 0.00 178.00 178.90 3kip h PHE 113 N 0.23 0.00 -0.23 0.65 -5.15 -1.97 0.80 116.94 111.26 3kip h PHE 113 Ca 0.54 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.31 3kip h PHE 113 Cb 1.68 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.85 3kip h PHE 113 CO -0.00 0.01 0.00 0.54 -2.00 0.00 0.00 178.31 176.85 3kip n ARG 114 N -3.34 1.62 0.13 6.09 1.74 0.23 -3.27 116.66 119.86 3kip n ARG 114 Ca -0.03 -0.96 0.12 0.00 -0.77 0.00 0.00 57.85 56.21 3kip n ARG 114 Cb 0.09 -1.27 0.20 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 1.68 0.00 -3.34 -1.55 3.86 -0.94 -3.45 115.15 111.41 3kip h HIS 115 Ca 0.00 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.64 3kip h HIS 115 Cb 0.38 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.79 3kip h HIS 115 CO 0.15 0.00 0.01 -0.65 0.86 0.00 0.00 177.93 178.30 3kip s GLN 116 N -3.20 4.38 0.11 2.45 -1.52 -1.20 -5.07 119.66 115.60 3kip s GLN 116 Ca 0.06 0.75 0.10 0.00 -1.95 0.00 0.00 55.36 54.32 3kip s GLN 116 Cb 0.10 -3.40 -0.04 0.00 -0.22 0.00 0.00 33.01 29.45 3kip s GLN 116 CO 0.69 0.21 -0.25 0.45 -0.25 0.00 0.00 175.29 176.13 3kip s SER 117 N 0.35 3.10 0.00 5.90 0.15 -1.26 -4.53 113.70 117.41 3kip s SER 117 Ca 0.33 -0.72 0.25 0.00 0.70 0.00 0.00 55.95 56.51 3kip s SER 117 Cb -0.18 -0.21 0.43 0.00 -1.71 0.00 0.00 66.02 64.36 3kip s SER 117 CO 0.16 0.16 1.40 -1.22 1.20 0.00 0.00 173.24 174.94 3kip n TYR 118 N 1.04 0.02 -0.13 3.44 4.01 0.52 -4.43 117.16 121.63 3kip n TYR 118 Ca -0.18 -0.01 -0.22 0.00 -0.16 0.00 0.00 57.90 57.33 3kip n TYR 118 Cb 0.53 0.00 -0.11 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 1.03 2.55 -0.32 7.72 4.77 -1.26 -4.75 117.00 126.74 3kip n LEU 119 Ca 0.15 0.05 0.19 0.00 -0.03 0.00 0.00 56.01 56.37 3kip n LEU 119 Cb 0.53 -0.85 0.39 0.00 -2.33 0.00 0.00 43.42 41.16 3kip n LEU 119 CO 0.15 0.78 1.06 0.28 -1.33 0.00 0.00 177.39 178.34 3kip h SER 120 N -0.40 0.37 0.07 -1.43 0.02 -1.94 0.21 113.55 110.46 3kip h SER 120 Ca -0.62 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 3kip h SER 120 Cb 1.77 0.16 0.00 0.00 0.14 0.00 0.00 62.40 64.47 3kip h SER 120 CO -0.22 -0.09 -0.01 -0.90 -1.14 0.00 0.00 176.83 174.47 3kip n ASP 121 N -5.08 0.28 0.00 3.07 5.75 -1.26 -2.70 116.55 116.61 3kip n ASP 121 Ca 0.27 -0.98 0.00 0.00 -0.01 0.00 0.00 54.79 54.07 3kip n ASP 121 Cb 0.83 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.89 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 -0.83 1.30 -1.97 0.11 4.76 0.63 -5.05 118.16 117.12 3kip n LYS 122 Ca 0.22 -0.34 -0.32 0.00 -2.87 0.00 0.00 58.31 55.01 3kip n LYS 122 Cb 0.17 -0.83 0.01 0.00 -1.84 0.00 0.00 35.03 32.54 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 -0.28 2.94 0.18 7.82 0.00 -0.62 -4.78 121.76 127.02 3kip s ALA 123 Ca 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 51.96 52.01 3kip s ALA 123 Cb 0.00 -3.13 0.08 0.00 0.00 0.00 0.00 23.12 20.07 3kip s ALA 123 CO 0.00 -0.70 1.49 0.28 0.00 0.00 0.00 175.76 176.82 3kip h VAL 124 N 0.04 1.32 -3.06 0.00 2.07 -1.12 -3.47 116.25 112.03 3kip h VAL 124 Ca -0.45 -1.81 -0.04 0.00 0.82 0.00 0.00 66.70 65.22 3kip h VAL 124 Cb 1.20 1.78 -0.13 0.00 -1.52 0.00 0.00 31.29 32.61 3kip h VAL 124 CO 0.60 0.57 0.07 0.00 0.02 0.00 0.00 177.57 178.83 3kip s ALA 125 N -3.99 -1.31 -0.21 1.67 0.00 -1.25 -5.06 121.76 111.61 3kip s ALA 125 Ca -0.08 0.35 -0.03 0.00 0.00 0.00 0.00 51.96 52.20 3kip s ALA 125 Cb 0.11 0.69 0.06 0.00 0.00 0.00 0.00 23.12 23.98 3kip s ALA 125 CO 0.85 -0.66 0.04 0.08 0.00 0.00 0.00 175.76 176.07 3kip s VAL 126 N -3.42 0.58 -0.15 0.00 1.01 -1.26 -1.41 120.40 115.75 3kip s VAL 126 Ca -0.00 -0.66 -0.13 0.00 0.00 0.00 0.00 61.98 61.19 3kip s VAL 126 Cb 0.00 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.22 3kip s VAL 126 CO -0.10 -0.26 0.27 -0.63 0.00 0.00 0.00 175.10 174.39 3kip s ILE 127 N 1.83 5.32 -0.20 2.22 1.01 -0.31 -4.97 121.20 126.10 3kip s ILE 127 Ca -0.00 0.50 -0.05 0.00 0.00 0.00 0.00 60.65 61.09 3kip s ILE 127 Cb -0.17 -3.60 0.10 0.00 0.01 0.00 0.00 42.46 38.79 3kip s ILE 127 CO -0.10 0.42 0.36 0.00 0.00 0.00 0.00 174.94 175.62 3kip n GLY 129 N 5.37 0.78 0.80 0.00 0.00 -0.35 -4.65 105.19 107.14 3kip n GLY 129 Ca -0.06 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.99 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 2.23 0.00 0.99 7.94 -1.24 -4.70 117.00 122.22 3kip n LEU 130 Ca 0.00 -1.12 0.00 0.00 -1.11 0.00 0.00 56.01 53.78 3kip n LEU 130 Cb 0.00 -0.40 0.00 0.00 0.53 0.00 0.00 43.42 43.55 3kip n LEU 130 CO 0.00 0.39 0.00 0.61 -1.11 0.00 0.00 177.39 177.28 3kip n GLY 131 N 0.57 0.14 0.24 -3.96 0.00 -0.77 -3.03 105.19 98.38 3kip n GLY 131 Ca 0.10 -0.92 0.12 0.00 0.00 0.00 0.00 46.02 45.33 3kip n GLY 131 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3kip h VAL 132 N 0.00 0.36 0.00 1.61 3.04 -1.94 -2.47 116.25 116.85 3kip h VAL 132 Ca 0.00 -0.94 -0.03 0.00 -1.01 0.00 0.00 66.70 64.72 3kip h VAL 132 Cb 0.00 1.70 -0.00 0.00 -2.01 0.00 0.00 31.29 30.98 3kip h VAL 132 CO 0.00 0.14 -0.15 0.22 -1.01 0.00 0.00 177.57 176.78 3kip h TYR 133 N 0.00 0.00 -0.92 3.17 3.20 -1.94 -1.56 116.97 118.92 3kip h TYR 133 Ca -0.00 0.00 0.23 0.00 3.14 0.00 0.00 58.73 62.10 3kip h TYR 133 Cb 0.69 0.00 -0.17 0.00 1.54 0.00 0.00 36.73 38.79 3kip h TYR 133 CO 0.00 0.15 -0.02 0.78 -1.64 0.00 0.00 178.16 177.43 3kip h GLY 134 N 0.75 1.05 0.96 1.82 0.00 -1.39 0.31 103.07 106.57 3kip h GLY 134 Ca -0.00 0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 3kip h GLY 134 CO 0.02 -0.43 0.10 -0.97 0.00 0.00 0.00 176.54 175.27 3kip h TYR 135 N 0.04 0.23 -0.70 5.60 0.05 -1.48 -1.35 116.97 119.37 3kip h TYR 135 Ca 0.53 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.30 3kip h TYR 135 Cb 1.01 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 38.64 3kip h TYR 135 CO -0.52 0.19 0.40 1.15 -1.05 0.00 0.00 178.16 178.34 3kip h THR 136 N 0.20 1.20 -0.04 -2.88 2.02 -0.59 -1.01 112.91 111.81 3kip h THR 136 Ca 0.06 -0.47 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 3kip h THR 136 Cb 0.03 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 66.68 3kip h THR 136 CO -0.01 0.22 0.01 0.00 0.37 0.00 0.00 175.52 176.11 3kip h ALA 137 N 1.48 0.06 -0.81 6.16 0.00 -0.79 -1.01 119.26 124.35 3kip h ALA 137 Ca 0.25 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.09 3kip h ALA 137 Cb -0.01 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 3kip h ALA 137 CO -0.04 -0.33 0.51 0.00 0.00 0.00 0.00 179.25 179.38 3kip h ALA 138 N 0.80 1.09 -0.08 0.00 0.00 -0.63 -2.50 119.26 117.94 3kip h ALA 138 Ca 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3kip h ALA 138 Cb 0.23 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3kip h ALA 138 CO -0.00 0.28 0.00 0.82 0.00 0.00 0.00 179.25 180.35 3kip h ILE 139 N 0.95 1.24 -0.67 0.00 2.04 -1.12 0.10 117.51 120.06 3kip h ILE 139 Ca 0.34 -0.76 0.14 0.00 1.00 0.00 0.00 64.86 65.57 3kip h ILE 139 Cb 0.09 1.61 -0.13 0.00 -0.74 0.00 0.00 36.82 37.65 3kip h ILE 139 CO -0.14 0.21 -0.15 -0.33 0.00 0.00 0.00 178.15 177.74 3kip h GLU 140 N -0.14 0.01 -0.22 2.37 4.39 -1.02 -1.20 114.58 118.77 3kip h GLU 140 Ca 0.02 -0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.64 3kip h GLU 140 Cb 0.33 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 3kip h GLU 140 CO 0.00 0.01 -0.19 -0.92 -1.16 0.00 0.00 179.01 176.75 3kip h TYR 141 N 0.01 0.62 -0.32 4.33 5.03 -1.15 -2.43 116.97 123.07 3kip h TYR 141 Ca 0.33 -0.18 0.07 0.00 2.58 0.00 0.00 58.73 61.53 3kip h TYR 141 Cb 0.50 -0.13 -0.08 0.00 1.55 0.00 0.00 36.73 38.57 3kip h TYR 141 CO -0.53 0.85 -0.30 0.00 -1.32 0.00 0.00 178.16 176.86 3kip h ALA 142 N 0.67 -0.19 0.00 1.82 0.00 -0.54 -1.29 119.26 119.72 3kip h ALA 142 Ca 0.04 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3kip h ALA 142 Cb 0.74 0.64 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3kip h ALA 142 CO 0.05 -0.72 0.00 1.28 0.00 0.00 0.00 179.25 179.86 3kip n LEU 143 N -5.41 0.00 -0.26 0.00 4.77 -0.49 -1.21 117.00 114.40 3kip n LEU 143 Ca 0.00 0.26 0.03 0.00 -0.03 0.00 0.00 56.01 56.28 3kip n LEU 143 Cb 0.32 -0.26 0.08 0.00 -2.33 0.00 0.00 43.42 41.23 3kip n LEU 143 CO 0.10 -0.24 0.56 0.59 -1.33 0.00 0.00 177.39 177.07 3kip n ASN 144 N -1.26 2.44 -4.72 -1.43 5.03 -0.50 -4.42 115.26 110.39 3kip n ASN 144 Ca 0.01 -2.16 -0.37 0.00 0.87 0.00 0.00 54.58 52.93 3kip n ASN 144 Cb 0.02 -0.15 -0.07 0.00 -1.02 0.00 0.00 39.78 38.57 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 -1.29 3.48 -0.45 3.10 5.04 -0.35 -4.90 117.35 121.98 3kip s TYR 145 Ca 0.13 0.74 -0.42 0.00 -2.44 0.00 0.00 57.07 55.08 3kip s TYR 145 Cb 0.08 -2.46 -0.18 0.00 0.35 0.00 0.00 41.96 39.76 3kip s TYR 145 CO 0.06 0.18 1.54 1.04 -1.34 0.00 0.00 175.55 177.03 3kip n GLN 146 N 3.71 0.00 0.00 4.97 1.13 -1.26 -2.23 117.38 123.70 3kip n GLN 146 Ca -0.09 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.97 3kip n GLN 146 Cb 0.52 -1.35 0.00 0.00 0.11 0.00 0.00 30.24 29.52 3kip n GLN 146 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51