#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 4.07 0.02 1.69 1.43 -1.26 -0.31 118.68 124.31 3kip s LEU 0 Ca 0.00 0.51 -0.30 0.00 -1.03 0.00 0.00 54.13 53.30 3kip s LEU 0 Cb 0.00 -3.34 -0.06 0.00 0.03 0.00 0.00 46.19 42.82 3kip s LEU 0 CO 0.00 -0.22 1.51 -0.69 0.23 0.00 0.00 176.35 177.18 3kip s VAL 1 N -2.17 3.46 -0.22 -1.59 1.01 -0.73 -4.81 120.40 115.34 3kip s VAL 1 Ca 0.41 0.84 0.10 0.00 0.00 0.00 0.00 61.98 63.33 3kip s VAL 1 Cb -0.10 -3.54 -0.21 0.00 0.00 0.00 0.00 36.38 32.52 3kip s VAL 1 CO 0.33 -0.01 -0.05 0.29 0.00 0.00 0.00 175.10 175.66 3kip n LYS 2 N 5.64 0.67 -3.97 2.72 4.76 -1.26 -4.69 118.16 122.03 3kip n LYS 2 Ca 0.14 0.07 -0.34 0.00 -2.87 0.00 0.00 58.31 55.32 3kip n LYS 2 Cb 0.42 -1.53 -0.14 0.00 -1.84 0.00 0.00 35.03 31.95 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 -2.51 2.31 -0.08 1.97 2.47 -1.26 -1.40 119.74 121.24 3kip s LYS 3 Ca -0.22 -1.34 -0.00 0.00 -1.56 0.00 0.00 55.97 52.85 3kip s LYS 3 Cb 0.07 -3.09 -0.03 0.00 -1.46 0.00 0.00 37.83 33.32 3kip s LYS 3 CO 0.72 -0.63 -0.04 0.08 0.16 0.00 0.00 175.35 175.64 3kip s VAL 4 N 1.18 3.93 -0.19 4.02 1.01 -0.27 -1.07 120.40 129.00 3kip s VAL 4 Ca -0.06 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 3kip s VAL 4 Cb -0.20 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 3kip s VAL 4 CO -0.03 0.59 0.01 -0.22 0.00 0.00 0.00 175.10 175.46 3kip s LEU 5 N -0.75 3.37 -0.30 3.92 2.96 -0.58 -0.45 118.68 126.84 3kip s LEU 5 Ca 0.11 -0.14 -0.14 0.00 -0.22 0.00 0.00 54.13 53.74 3kip s LEU 5 Cb -0.11 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 3kip s LEU 5 CO 0.02 0.09 0.33 -0.22 -1.32 0.00 0.00 176.35 175.25 3kip s LEU 6 N 0.85 4.19 -0.09 -0.68 2.96 0.12 -0.93 118.68 125.09 3kip s LEU 6 Ca 0.01 0.02 0.02 0.00 -0.22 0.00 0.00 54.13 53.96 3kip s LEU 6 Cb -0.14 -2.33 -0.02 0.00 0.50 0.00 0.00 46.19 44.20 3kip s LEU 6 CO 0.02 -0.22 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.06 3kip s ILE 7 N 1.99 3.01 -0.08 6.68 1.01 0.68 -0.79 121.20 133.70 3kip s ILE 7 Ca 0.12 -0.71 0.03 0.00 0.00 0.00 0.00 60.65 60.10 3kip s ILE 7 Cb -0.16 -2.22 0.01 0.00 0.01 0.00 0.00 42.46 40.10 3kip s ILE 7 CO 0.11 0.55 -0.17 0.20 0.00 0.00 0.00 174.94 175.63 3kip s ASN 8 N -0.13 2.32 0.00 3.58 -0.87 -0.15 -0.84 114.94 118.86 3kip s ASN 8 Ca -0.01 -0.41 0.00 0.00 -1.57 0.00 0.00 52.86 50.87 3kip s ASN 8 Cb -0.14 -1.05 0.00 0.00 -0.02 0.00 0.00 41.25 40.05 3kip s ASN 8 CO 0.03 0.09 0.00 0.61 -2.57 0.00 0.00 177.10 175.26 3kip n GLY 9 N 3.66 0.52 3.69 0.66 0.00 0.55 -2.41 105.19 111.86 3kip n GLY 9 Ca -0.21 -1.79 -0.36 0.00 0.00 0.00 0.00 46.02 43.66 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 0.00 0.84 0.00 1.61 -0.05 -1.11 -3.15 135.00 133.14 3kip n PRO 10 Ca 0.00 0.35 0.00 0.00 -0.05 0.00 0.00 63.50 63.80 3kip n PRO 10 Cb 0.00 -2.42 0.00 0.00 -0.05 0.00 0.00 33.50 31.03 3kip n PRO 10 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 3kip n ASN 11 N -1.94 0.00 -0.04 3.54 3.02 -1.26 -4.50 115.26 114.08 3kip n ASN 11 Ca 0.15 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.82 3kip n ASN 11 Cb 0.49 -0.07 0.52 0.00 -0.61 0.00 0.00 39.78 40.11 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 0.31 -1.16 3.41 3.38 -1.91 0.13 115.31 119.48 3kip h LEU 12 Ca 0.00 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.17 3kip h LEU 12 Cb 0.00 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3kip h LEU 12 CO 0.00 0.19 0.97 -0.55 0.09 0.00 0.00 178.44 179.14 3kip h ASN 13 N 0.35 0.00 -0.22 -0.43 7.08 -1.87 -1.24 115.58 119.25 3kip h ASN 13 Ca 0.24 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.46 3kip h ASN 13 Cb 0.49 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.73 3kip h ASN 13 CO -0.06 0.00 0.00 0.18 -2.08 0.00 0.00 177.43 175.47 3kip n LEU 14 N -3.21 1.86 -4.76 6.14 4.77 0.46 -4.69 117.00 117.57 3kip n LEU 14 Ca 0.15 -0.81 -0.40 0.00 -0.03 0.00 0.00 56.01 54.92 3kip n LEU 14 Cb 1.19 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 42.07 3kip n LEU 14 CO 0.20 0.41 0.57 -1.48 -1.33 0.00 0.00 177.39 175.76 3kip s LEU 15 N -1.45 4.61 -0.43 2.23 2.34 -0.47 -1.65 118.68 123.86 3kip s LEU 15 Ca 0.31 1.79 0.02 0.00 0.06 0.00 0.00 54.13 56.32 3kip s LEU 15 Cb 0.17 -3.46 0.14 0.00 -0.56 0.00 0.00 46.19 42.48 3kip s LEU 15 CO 0.25 0.17 0.24 -0.83 -1.06 0.00 0.00 176.35 175.12 3kip s GLY 16 N -1.08 1.54 0.00 -3.48 0.00 -1.11 -3.21 107.32 99.97 3kip s GLY 16 Ca 0.39 -2.49 0.22 0.00 0.00 0.00 0.00 44.72 42.84 3kip s GLY 16 CO 0.29 1.65 1.10 2.41 0.00 0.00 0.00 173.10 178.55 3kip n THR 17 N 3.57 0.00 -0.08 0.90 -1.04 -0.66 -4.57 114.28 112.39 3kip n THR 17 Ca 0.10 -0.32 -0.08 0.00 -2.04 0.00 0.00 64.05 61.72 3kip n THR 17 Cb 0.36 1.30 -0.03 0.00 -1.82 0.00 0.00 70.33 70.14 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 0.26 0.49 -0.08 -2.82 0.63 -1.26 -5.19 116.66 108.69 3kip n ARG 18 Ca 0.10 0.38 0.03 0.00 -0.92 0.00 0.00 57.85 57.44 3kip n ARG 18 Cb 0.48 -1.57 0.08 0.00 0.45 0.00 0.00 32.46 31.90 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 -4.53 0.20 -4.17 -0.14 9.36 -1.26 -5.04 117.16 111.58 3kip n TYR 23 Ca -0.12 -0.35 -0.25 0.00 3.32 0.00 0.00 57.90 60.49 3kip n TYR 23 Cb 0.41 -0.03 -0.07 0.00 -0.63 0.00 0.00 39.34 39.02 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 -0.88 1.67 0.00 2.98 0.00 -1.26 -5.00 107.32 104.83 3kip s GLY 24 Ca 0.13 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 43.47 3kip s GLY 24 CO 0.09 -1.40 0.10 -1.30 0.00 0.00 0.00 173.10 170.60 3kip n THR 25 N -0.43 0.00 -2.17 0.90 -2.24 -1.26 -4.58 114.28 104.49 3kip n THR 25 Ca -0.09 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 3kip n THR 25 Cb 0.56 -0.64 -0.03 0.00 -2.10 0.00 0.00 70.33 68.12 3kip n THR 25 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3kip s THR 26 N -1.52 3.54 0.40 4.28 2.01 -1.26 -4.57 115.64 118.52 3kip s THR 26 Ca 0.00 0.98 0.08 0.00 0.31 0.00 0.00 61.69 63.06 3kip s THR 26 Cb 0.00 -3.63 -0.00 0.00 0.01 0.00 0.00 72.50 68.88 3kip s THR 26 CO 0.00 0.01 0.49 -0.94 -0.69 0.00 0.00 174.62 173.50 3kip s SER 27 N 1.80 5.52 0.14 3.53 1.04 -1.26 -2.77 113.70 121.70 3kip s SER 27 Ca 0.65 -0.48 -0.18 0.00 0.48 0.00 0.00 55.95 56.42 3kip s SER 27 Cb -0.34 -0.72 0.01 0.00 0.10 0.00 0.00 66.02 65.07 3kip s SER 27 CO 0.28 -0.67 1.73 0.25 0.98 0.00 0.00 173.24 175.81 3kip h LEU 28 N 0.80 0.00 -0.75 2.42 5.85 -1.79 -1.48 115.31 120.37 3kip h LEU 28 Ca -0.41 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.45 3kip h LEU 28 Cb 1.27 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 42.29 3kip h LEU 28 CO 0.50 0.04 0.39 -1.28 -0.34 0.00 0.00 178.44 177.75 3kip h SER 29 N 0.15 0.53 0.06 1.25 0.87 -1.94 0.14 113.55 114.61 3kip h SER 29 Ca 0.12 0.06 0.03 0.00 -1.23 0.00 0.00 61.79 60.77 3kip h SER 29 Cb 0.13 -0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.01 3kip h SER 29 CO -0.17 0.30 -0.28 0.44 -0.53 0.00 0.00 176.83 176.60 3kip h ASP 30 N 0.66 -0.81 -0.90 6.23 3.32 -1.67 0.01 116.42 123.26 3kip h ASP 30 Ca 0.37 0.10 0.07 0.00 0.02 0.00 0.00 57.03 57.59 3kip h ASP 30 Cb 0.37 0.32 -0.07 0.00 0.22 0.00 0.00 39.33 40.17 3kip h ASP 30 CO -0.26 -0.36 0.56 0.40 -1.72 0.00 0.00 179.24 177.86 3kip h ILE 31 N -0.46 1.02 0.09 0.35 2.04 -0.94 -0.38 117.51 119.23 3kip h ILE 31 Ca 0.05 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 3kip h ILE 31 Cb 0.51 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 3kip h ILE 31 CO -0.20 0.18 -0.04 -0.33 0.00 0.00 0.00 178.15 177.76 3kip h GLU 32 N 0.99 -0.11 -0.62 2.37 5.08 -0.49 -2.40 114.58 119.41 3kip h GLU 32 Ca 0.40 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.75 3kip h GLU 32 Cb 0.23 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 3kip h GLU 32 CO -0.19 0.05 0.30 1.96 -1.00 0.00 0.00 179.01 180.13 3kip h GLN 33 N -0.26 0.87 -0.40 2.33 1.08 -0.73 -1.23 115.11 116.76 3kip h GLN 33 Ca -0.01 -0.11 -0.03 0.00 -1.45 0.00 0.00 58.65 57.05 3kip h GLN 33 Cb 0.22 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 3kip h GLN 33 CO 0.02 0.67 0.12 0.00 -0.95 0.00 0.00 178.83 178.68 3kip h ALA 34 N 1.47 0.52 -0.22 3.87 0.00 -0.92 -2.00 119.26 121.97 3kip h ALA 34 Ca 0.22 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 3kip h ALA 34 Cb 0.08 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3kip h ALA 34 CO -0.03 0.18 -0.33 0.00 0.00 0.00 0.00 179.25 179.07 3kip h ALA 35 N 0.96 0.33 -0.60 0.00 0.00 -0.99 -1.11 119.26 117.85 3kip h ALA 35 Ca 0.13 -0.42 0.07 0.00 0.00 0.00 0.00 54.91 54.69 3kip h ALA 35 Cb 0.27 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 3kip h ALA 35 CO -0.00 0.38 0.28 0.82 0.00 0.00 0.00 179.25 180.72 3kip h ILE 36 N 0.29 0.87 -0.19 0.00 2.04 -1.12 -2.15 117.51 117.25 3kip h ILE 36 Ca 0.02 -0.18 -0.10 0.00 1.00 0.00 0.00 64.86 65.60 3kip h ILE 36 Cb 0.92 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 3kip h ILE 36 CO 0.08 0.09 -0.34 -0.33 0.00 0.00 0.00 178.15 177.65 3kip h GLU 37 N 0.51 0.39 -0.46 2.37 4.39 -1.24 -2.44 114.58 118.09 3kip h GLU 37 Ca 0.29 -0.17 0.07 0.00 0.34 0.00 0.00 59.36 59.89 3kip h GLU 37 Cb 0.27 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.85 3kip h GLU 37 CO -0.23 0.68 0.14 0.37 -1.16 0.00 0.00 179.01 178.80 3kip h GLN 38 N 0.33 0.28 0.39 2.33 4.15 -0.53 0.87 115.11 122.93 3kip h GLN 38 Ca 0.04 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.42 3kip h GLN 38 Cb 0.76 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.39 3kip h GLN 38 CO 0.06 0.19 -0.19 0.00 -1.93 0.00 0.00 178.83 176.96 3kip h ALA 39 N 1.33 -0.52 -0.86 3.38 0.00 -1.49 -3.11 119.26 117.98 3kip h ALA 39 Ca 0.22 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.08 3kip h ALA 39 Cb 0.26 0.20 -0.14 0.00 0.00 0.00 0.00 17.79 18.11 3kip h ALA 39 CO -0.26 -0.62 -0.33 1.63 0.00 0.00 0.00 179.25 179.67 3kip n LYS 40 N -5.18 -0.19 0.18 0.00 5.02 -0.92 -0.44 118.16 116.62 3kip n LYS 40 Ca -0.10 1.33 0.14 0.00 -2.02 0.00 0.00 58.31 57.66 3kip n LYS 40 Cb 0.28 -1.97 0.72 0.00 -0.02 0.00 0.00 35.03 34.05 3kip n LYS 40 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3kip h LEU 41 N 0.00 0.00 -2.08 -0.35 7.12 -0.76 -1.53 115.31 117.71 3kip h LEU 41 Ca 0.31 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.31 3kip h LEU 41 Cb 0.52 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.65 3kip h LEU 41 CO -0.86 0.00 -0.04 0.11 -0.13 0.00 0.00 178.44 177.52 3kip h LYS 42 N 0.00 0.00 -3.39 1.25 1.79 -0.73 -3.46 116.57 112.03 3kip h LYS 42 Ca 0.09 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.29 3kip h LYS 42 Cb 0.38 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 31.08 3kip h LYS 42 CO -0.00 0.04 -0.41 -1.71 -1.08 0.00 0.00 179.45 176.29 3kip n ASN 43 N -4.21 -4.64 -2.23 0.86 5.15 -0.58 -4.87 115.26 104.74 3kip n ASN 43 Ca -0.03 -0.23 0.01 0.00 -0.60 0.00 0.00 54.58 53.73 3kip n ASN 43 Cb 0.13 -3.43 0.04 0.00 -0.53 0.00 0.00 39.78 35.99 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 -1.15 0.95 -4.10 1.20 6.94 -1.26 -4.96 115.26 112.88 3kip n ASN 44 Ca -0.05 -2.03 -0.33 0.00 -0.02 0.00 0.00 54.58 52.15 3kip n ASN 44 Cb 0.57 -0.27 -0.02 0.00 -2.36 0.00 0.00 39.78 37.70 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 -0.25 -2.88 -4.89 0.53 8.00 -1.26 -5.01 116.55 110.80 3kip n ASP 45 Ca 0.02 -0.97 -0.29 0.00 0.71 0.00 0.00 54.79 54.26 3kip n ASP 45 Cb 0.93 -3.04 0.01 0.00 -0.02 0.00 0.00 41.12 39.00 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 -3.55 6.05 -0.17 -2.24 0.01 -1.26 -4.90 113.70 107.63 3kip s SER 46 Ca 0.55 1.16 -0.14 0.00 1.31 0.00 0.00 55.95 58.83 3kip s SER 46 Cb -0.30 -2.24 0.05 0.00 0.21 0.00 0.00 66.02 63.74 3kip s SER 46 CO 0.90 -0.88 0.43 -0.70 0.41 0.00 0.00 173.24 173.40 3kip s GLU 47 N -5.06 0.48 -0.17 12.44 2.12 -0.49 -4.36 118.70 123.66 3kip s GLU 47 Ca 0.53 0.66 -0.02 0.00 0.36 0.00 0.00 54.97 56.50 3kip s GLU 47 Cb -0.11 0.18 -0.01 0.00 0.26 0.00 0.00 34.13 34.45 3kip s GLU 47 CO 0.50 -0.08 -0.08 0.08 -0.54 0.00 0.00 175.26 175.13 3kip s VAL 48 N 0.53 3.33 0.11 3.70 1.01 -1.26 -1.11 120.40 126.71 3kip s VAL 48 Ca -0.02 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.43 3kip s VAL 48 Cb -0.04 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 3kip s VAL 48 CO -0.03 0.49 0.25 -0.76 0.00 0.00 0.00 175.10 175.04 3kip s LEU 49 N 0.73 4.33 0.08 3.92 1.43 0.41 -4.72 118.68 124.86 3kip s LEU 49 Ca -0.04 0.20 0.05 0.00 -1.03 0.00 0.00 54.13 53.32 3kip s LEU 49 Cb -0.15 -2.91 -0.03 0.00 0.03 0.00 0.00 46.19 43.13 3kip s LEU 49 CO 0.02 0.10 -0.14 0.68 0.23 0.00 0.00 176.35 177.23 3kip s VAL 50 N -1.64 1.19 -0.09 -1.59 -7.23 -1.26 0.15 120.40 109.92 3kip s VAL 50 Ca 0.35 -1.41 -0.14 0.00 -1.81 0.00 0.00 61.98 58.97 3kip s VAL 50 Cb -0.12 -1.20 0.03 0.00 0.56 0.00 0.00 36.38 35.65 3kip s VAL 50 CO 0.28 -0.26 0.35 0.12 -0.31 0.00 0.00 175.10 175.28 3kip s PHE 51 N -1.47 -0.32 -0.01 2.82 5.36 0.03 -4.93 117.98 119.47 3kip s PHE 51 Ca 0.01 0.70 -0.03 0.00 -0.96 0.00 0.00 56.93 56.65 3kip s PHE 51 Cb -0.09 0.13 -0.00 0.00 -0.34 0.00 0.00 43.02 42.72 3kip s PHE 51 CO 0.02 -0.27 0.06 -1.14 -1.46 0.00 0.00 175.22 172.43 3kip s GLN 52 N -0.41 0.21 0.08 10.12 -0.44 -1.26 -0.97 119.66 126.98 3kip s GLN 52 Ca -0.05 -0.15 -0.23 0.00 -2.50 0.00 0.00 55.36 52.42 3kip s GLN 52 Cb -0.03 0.09 0.06 0.00 -1.64 0.00 0.00 33.01 31.48 3kip s GLN 52 CO 0.02 -0.04 0.56 0.45 0.50 0.00 0.00 175.29 176.79 3kip s SER 53 N -0.56 -0.50 -0.00 6.67 0.15 -1.01 -4.98 113.70 113.45 3kip s SER 53 Ca -0.06 0.15 0.19 0.00 0.70 0.00 0.00 55.95 56.94 3kip s SER 53 Cb -0.04 0.54 -0.23 0.00 -1.71 0.00 0.00 66.02 64.58 3kip s SER 53 CO 0.00 -0.80 0.77 0.59 1.20 0.00 0.00 173.24 175.00 3kip n ASN 54 N 0.14 0.85 -4.64 5.45 3.02 -1.26 -2.75 115.26 116.07 3kip n ASN 54 Ca -0.18 -0.82 -0.38 0.00 -0.03 0.00 0.00 54.58 53.17 3kip n ASN 54 Cb 0.62 1.13 -0.09 0.00 -0.61 0.00 0.00 39.78 40.83 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 -2.92 5.24 0.11 3.41 2.01 -1.26 -4.61 115.64 117.62 3kip s THR 55 Ca 0.05 0.49 -0.30 0.00 0.31 0.00 0.00 61.69 62.25 3kip s THR 55 Cb 0.14 -3.65 -0.11 0.00 0.01 0.00 0.00 72.50 68.90 3kip s THR 55 CO 0.80 0.24 1.49 -0.08 -0.69 0.00 0.00 174.62 176.38 3kip h GLU 56 N 7.78 -0.41 -0.90 4.92 4.81 -2.00 -2.53 114.58 126.26 3kip h GLU 56 Ca -0.35 0.03 0.20 0.00 -0.13 0.00 0.00 59.36 59.11 3kip h GLU 56 Cb 1.17 0.09 -0.11 0.00 0.63 0.00 0.00 28.75 30.52 3kip h GLU 56 CO 0.66 -0.27 0.44 0.78 -0.73 0.00 0.00 179.01 179.89 3kip h GLY 57 N -0.42 1.54 2.00 1.92 0.00 -1.99 0.26 103.07 106.38 3kip h GLY 57 Ca 0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 3kip h GLY 57 CO -0.47 -0.18 -0.16 0.74 0.00 0.00 0.00 176.54 176.46 3kip h PHE 58 N 0.51 0.00 0.09 5.60 0.04 -1.89 0.35 116.94 121.64 3kip h PHE 58 Ca 0.54 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 61.05 3kip h PHE 58 Cb 0.94 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.10 3kip h PHE 58 CO -0.10 0.16 -1.14 0.82 -0.60 0.00 0.00 178.31 177.45 3kip h ILE 59 N 0.00 1.46 0.21 -0.55 2.04 -0.27 -0.79 117.51 119.61 3kip h ILE 59 Ca -0.00 -2.83 -0.01 0.00 1.00 0.00 0.00 64.86 63.02 3kip h ILE 59 Cb 0.29 2.76 0.00 0.00 -0.74 0.00 0.00 36.82 39.13 3kip h ILE 59 CO 0.02 0.83 -0.10 0.40 0.00 0.00 0.00 178.15 179.30 3kip h ILE 60 N 0.13 0.82 -0.88 -0.67 2.04 -0.18 -1.11 117.51 117.66 3kip h ILE 60 Ca -0.12 -0.16 0.15 0.00 1.00 0.00 0.00 64.86 65.73 3kip h ILE 60 Cb 1.83 0.92 -0.07 0.00 -0.74 0.00 0.00 36.82 38.76 3kip h ILE 60 CO 0.19 0.04 0.57 0.44 0.00 0.00 0.00 178.15 179.39 3kip h ASP 61 N -0.37 0.60 -0.33 1.72 3.32 -0.30 -1.53 116.42 119.54 3kip h ASP 61 Ca -0.03 0.04 -0.17 0.00 0.02 0.00 0.00 57.03 56.89 3kip h ASP 61 Cb 0.28 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 3kip h ASP 61 CO 0.05 0.30 -0.45 -0.09 -1.72 0.00 0.00 179.24 177.32 3kip h ARG 62 N 0.63 0.91 -0.56 3.56 9.65 -0.26 -1.73 114.38 126.58 3kip h ARG 62 Ca 0.44 -0.52 0.06 0.00 -1.10 0.00 0.00 59.98 58.87 3kip h ARG 62 Cb 0.78 0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 29.35 3kip h ARG 62 CO -0.20 1.16 0.27 0.82 2.80 0.00 0.00 179.97 184.83 3kip h ILE 63 N 0.72 0.92 0.23 1.20 2.04 -0.28 -0.56 117.51 121.79 3kip h ILE 63 Ca 0.04 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 3kip h ILE 63 Cb 1.05 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 3kip h ILE 63 CO 0.11 0.09 -0.19 0.45 0.00 0.00 0.00 178.15 178.61 3kip h HIS 64 N 0.52 -0.49 -0.94 1.37 3.86 -0.92 -2.19 115.15 116.35 3kip h HIS 64 Ca 0.26 -0.00 0.24 0.00 -1.16 0.00 0.00 60.37 59.70 3kip h HIS 64 Cb 0.19 0.18 -0.13 0.00 1.06 0.00 0.00 27.41 28.72 3kip h HIS 64 CO -0.11 -0.29 0.47 1.49 0.86 0.00 0.00 177.93 180.35 3kip h GLU 65 N -0.43 0.43 -0.04 2.45 4.57 -0.97 -1.08 114.58 119.51 3kip h GLU 65 Ca -0.01 -0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.17 3kip h GLU 65 Cb 0.39 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.84 3kip h GLU 65 CO -0.02 0.29 -0.15 0.00 -1.18 0.00 0.00 179.01 177.95 3kip h ALA 66 N 1.73 -0.14 -0.42 2.92 0.00 -0.48 0.66 119.26 123.53 3kip h ALA 66 Ca 0.60 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.61 3kip h ALA 66 Cb 1.17 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 19.16 3kip h ALA 66 CO -0.52 -0.63 -0.07 -0.22 0.00 0.00 0.00 179.25 177.81 3kip h LYS 67 N -0.22 0.03 -0.29 0.00 1.63 -0.91 -0.24 116.57 116.56 3kip h LYS 67 Ca 0.06 -0.00 0.05 0.00 -0.85 0.00 0.00 60.65 59.91 3kip h LYS 67 Cb 0.31 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.92 3kip h LYS 67 CO -0.17 0.02 0.20 0.00 -3.45 0.00 0.00 179.45 176.05 3kip h ARG 68 N 0.04 0.16 -0.00 1.90 3.08 -0.52 -0.20 114.38 118.84 3kip h ARG 68 Ca 0.20 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3kip h ARG 68 Cb 0.31 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3kip h ARG 68 CO -0.40 0.11 -0.21 1.04 -1.07 0.00 0.00 179.97 179.43 3kip n GLN 69 N -4.48 0.13 -1.17 0.04 6.02 0.14 -4.95 117.38 113.10 3kip n GLN 69 Ca 0.03 -0.05 -0.06 0.00 -0.01 0.00 0.00 57.00 56.92 3kip n GLN 69 Cb 0.25 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.99 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 1.46 0.84 3.62 1.08 0.00 -0.09 -4.98 105.19 107.12 3kip n GLY 70 Ca 0.08 -0.76 -0.49 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.82 0.09 0.74 1.61 0.31 -0.44 -4.73 118.33 113.09 3kip n VAL 71 Ca -0.06 -0.02 0.09 0.00 -0.01 0.00 0.00 64.34 64.33 3kip n VAL 71 Cb 0.20 -1.12 0.05 0.00 -0.91 0.00 0.00 33.84 32.06 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 2.81 0.23 3.44 2.92 0.00 -0.24 -4.66 105.19 109.69 3kip n GLY 72 Ca 0.17 -0.50 -0.16 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 -1.62 -0.53 -0.04 1.61 2.19 -1.19 -4.46 117.98 113.94 3kip s PHE 73 Ca 0.19 1.01 0.07 0.00 0.33 0.00 0.00 56.93 58.53 3kip s PHE 73 Cb 0.14 0.29 -0.02 0.00 -1.31 0.00 0.00 43.02 42.12 3kip s PHE 73 CO 0.28 -0.49 -0.25 0.08 1.83 0.00 0.00 175.22 176.67 3kip s VAL 74 N -0.88 2.09 -0.21 3.12 1.01 -0.38 -1.53 120.40 123.62 3kip s VAL 74 Ca -0.09 -1.07 -0.00 0.00 0.00 0.00 0.00 61.98 60.81 3kip s VAL 74 Cb -0.02 -1.74 0.02 0.00 0.00 0.00 0.00 36.38 34.64 3kip s VAL 74 CO 0.06 0.58 -0.13 -0.69 0.00 0.00 0.00 175.10 174.92 3kip s VAL 75 N -0.40 2.48 -0.05 2.92 1.01 -0.11 -1.20 120.40 125.06 3kip s VAL 75 Ca 0.03 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.10 3kip s VAL 75 Cb -0.12 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 34.13 3kip s VAL 75 CO 0.01 0.40 -0.09 -0.51 0.00 0.00 0.00 175.10 174.91 3kip s ILE 76 N 1.32 0.83 -0.32 2.22 2.07 -0.42 -0.23 121.20 126.67 3kip s ILE 76 Ca 0.03 -0.32 -0.01 0.00 -1.41 0.00 0.00 60.65 58.94 3kip s ILE 76 Cb -0.15 -0.78 0.06 0.00 0.13 0.00 0.00 42.46 41.73 3kip s ILE 76 CO -0.09 0.28 0.03 0.21 -1.91 0.00 0.00 174.94 173.46 3kip s ASN 77 N 0.62 4.90 0.00 4.50 3.84 -0.02 -0.80 114.94 127.98 3kip s ASN 77 Ca -0.11 -1.46 0.28 0.00 0.21 0.00 0.00 52.86 51.78 3kip s ASN 77 Cb -0.13 -1.71 1.53 0.00 -0.55 0.00 0.00 41.25 40.39 3kip s ASN 77 CO 0.02 -0.31 2.00 0.00 -2.79 0.00 0.00 177.10 176.02 3kip n ALA 78 N 4.58 2.64 -0.16 1.71 0.00 -1.26 -0.33 120.51 127.69 3kip n ALA 78 Ca -0.10 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3kip n ALA 78 Cb 0.43 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 0.99 1.99 0.44 0.00 0.00 -1.26 -1.96 105.19 105.38 3kip n GLY 79 Ca 0.21 -0.18 0.25 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.16 2.60 -0.01 4.61 0.00 -1.94 -1.66 119.26 122.70 3kip h ALA 80 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kip h ALA 80 Cb 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3kip h ALA 80 CO 0.00 -0.89 0.03 1.88 0.00 0.00 0.00 179.25 180.27 3kip h TYR 81 N 0.17 0.00 -0.73 0.00 0.05 -1.77 -0.94 116.97 113.74 3kip h TYR 81 Ca 0.47 0.00 0.14 0.00 0.05 0.00 0.00 58.73 59.38 3kip h TYR 81 Cb 1.56 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 39.25 3kip h TYR 81 CO -0.00 0.00 0.49 1.15 -1.05 0.00 0.00 178.16 178.75 3kip h THR 82 N 0.00 0.82 0.00 -2.88 2.02 -1.43 0.75 112.91 112.18 3kip h THR 82 Ca 0.00 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.03 3kip h THR 82 Cb 0.06 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 3kip h THR 82 CO -0.00 0.08 -0.87 1.41 0.37 0.00 0.00 175.52 176.51 3kip n HIS 83 N -4.48 0.21 -0.12 3.16 8.25 -0.36 -0.12 115.22 121.77 3kip n HIS 83 Ca 0.14 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 3kip n HIS 83 Cb 0.49 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 31.23 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 -1.83 0.00 -3.58 1.59 -2.24 -0.79 -4.73 114.28 102.70 3kip n THR 84 Ca 0.03 -0.21 -0.40 0.00 -2.27 0.00 0.00 64.05 61.19 3kip n THR 84 Cb 0.40 1.12 -0.07 0.00 -2.10 0.00 0.00 70.33 69.68 3kip n THR 84 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3kip s SER 85 N -0.34 5.77 0.40 3.42 0.15 0.19 -4.82 113.70 118.47 3kip s SER 85 Ca 0.00 -2.68 0.08 0.00 0.70 0.00 0.00 55.95 54.05 3kip s SER 85 Cb 0.00 -1.98 0.82 0.00 -1.71 0.00 0.00 66.02 63.15 3kip s SER 85 CO 0.00 -0.47 1.98 0.58 1.20 0.00 0.00 173.24 176.52 3kip h VAL 86 N 5.23 1.14 -0.32 4.45 2.07 -1.93 -3.00 116.25 123.89 3kip h VAL 86 Ca -0.00 -0.52 0.02 0.00 0.82 0.00 0.00 66.70 67.02 3kip h VAL 86 Cb 0.99 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 3kip h VAL 86 CO 0.74 0.18 0.16 1.23 0.02 0.00 0.00 177.57 179.90 3kip h GLY 87 N 0.62 0.43 0.97 2.17 0.00 -1.97 0.19 103.07 105.48 3kip h GLY 87 Ca 0.08 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 3kip h GLY 87 CO 0.00 0.09 0.15 -2.22 0.00 0.00 0.00 176.54 174.56 3kip h ILE 88 N 0.34 1.09 -0.52 2.60 2.04 -1.91 -0.53 117.51 120.62 3kip h ILE 88 Ca 0.13 -0.22 0.08 0.00 1.00 0.00 0.00 64.86 65.85 3kip h ILE 88 Cb 0.04 0.81 -0.07 0.00 -0.74 0.00 0.00 36.82 36.86 3kip h ILE 88 CO -0.09 0.09 0.15 -0.09 0.00 0.00 0.00 178.15 178.21 3kip h ARG 89 N 0.30 0.29 -0.02 2.37 2.43 -1.23 -1.17 114.38 117.35 3kip h ARG 89 Ca 0.09 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.13 3kip h ARG 89 Cb 0.02 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3kip h ARG 89 CO -0.02 0.19 -0.50 -0.44 -1.51 0.00 0.00 179.97 177.70 3kip h ASP 90 N 0.30 0.07 0.01 -3.80 5.19 -0.39 -0.60 116.42 117.20 3kip h ASP 90 Ca 0.26 -0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.63 3kip h ASP 90 Cb 0.32 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.81 3kip h ASP 90 CO -0.30 0.56 -0.00 0.00 -3.12 0.00 0.00 179.24 176.38 3kip h ALA 91 N 1.44 -0.01 -0.69 3.45 0.00 0.05 0.67 119.26 124.18 3kip h ALA 91 Ca -0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3kip h ALA 91 Cb 0.91 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3kip h ALA 91 CO 0.07 -0.45 0.36 -0.07 0.00 0.00 0.00 179.25 179.15 3kip h LEU 92 N -0.12 0.88 -0.59 0.00 3.38 -0.96 -0.67 115.31 117.24 3kip h LEU 92 Ca -0.00 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3kip h LEU 92 Cb 0.11 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3kip h LEU 92 CO 0.00 0.74 0.30 -0.07 0.09 0.00 0.00 178.44 179.50 3kip h LEU 93 N 0.95 0.75 -0.86 1.67 3.38 -1.10 -1.61 115.31 118.49 3kip h LEU 93 Ca 0.24 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3kip h LEU 93 Cb 0.08 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 3kip h LEU 93 CO -0.03 0.65 0.54 1.23 0.09 0.00 0.00 178.44 180.92 3kip h GLY 94 N 0.80 1.23 0.37 0.83 0.00 0.12 -1.66 103.07 104.76 3kip h GLY 94 Ca 0.20 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3kip h GLY 94 CO -0.03 0.48 -0.37 -1.30 0.00 0.00 0.00 176.54 175.32 3kip n THR 95 N -4.45 0.00 -2.89 4.70 -2.24 -0.34 -4.97 114.28 104.09 3kip n THR 95 Ca 0.09 -0.09 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 3kip n THR 95 Cb 0.04 0.43 0.02 0.00 -2.10 0.00 0.00 70.33 68.72 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 -0.88 -0.90 -2.69 6.98 0.00 -0.62 -4.97 120.51 117.42 3kip n ALA 96 Ca 0.10 0.25 -0.39 0.00 0.00 0.00 0.00 53.44 53.40 3kip n ALA 96 Cb 0.35 -3.40 -0.06 0.00 0.00 0.00 0.00 19.45 16.34 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 -3.12 5.12 0.55 0.00 1.01 -1.10 -5.03 121.20 118.63 3kip s ILE 97 Ca 0.24 1.04 -0.21 0.00 0.00 0.00 0.00 60.65 61.72 3kip s ILE 97 Cb -0.11 -3.87 -0.05 0.00 0.01 0.00 0.00 42.46 38.45 3kip s ILE 97 CO 0.29 0.24 1.24 -2.16 0.00 0.00 0.00 174.94 174.55 3kip s PRO 98 N 1.18 3.18 0.16 2.79 0.04 -1.26 -4.78 135.00 136.31 3kip s PRO 98 Ca 0.27 1.94 -0.08 0.00 0.04 0.00 0.00 61.00 63.17 3kip s PRO 98 Cb -0.16 -2.13 -0.01 0.00 0.04 0.00 0.00 34.50 32.25 3kip s PRO 98 CO 0.11 -1.07 0.25 -0.59 0.04 0.00 0.00 177.00 175.74 3kip s PHE 99 N -1.49 0.46 -0.03 0.56 -0.71 -1.26 -1.25 117.98 114.26 3kip s PHE 99 Ca 0.73 -0.83 0.03 0.00 -1.04 0.00 0.00 56.93 55.82 3kip s PHE 99 Cb -0.33 -0.12 0.00 0.00 -1.21 0.00 0.00 43.02 41.37 3kip s PHE 99 CO 0.38 -0.69 -0.10 0.42 -1.34 0.00 0.00 175.22 173.89 3kip s ILE 100 N -3.98 0.86 -0.25 -4.49 1.01 -0.34 -0.78 121.20 113.23 3kip s ILE 100 Ca 0.18 -0.40 -0.14 0.00 0.00 0.00 0.00 60.65 60.29 3kip s ILE 100 Cb 0.04 -0.77 -0.04 0.00 0.01 0.00 0.00 42.46 41.70 3kip s ILE 100 CO 0.00 0.27 0.33 -0.70 0.00 0.00 0.00 174.94 174.85 3kip s GLU 101 N 0.24 4.06 -0.07 2.79 2.12 -0.65 -1.30 118.70 125.89 3kip s GLU 101 Ca -0.04 0.01 0.03 0.00 0.36 0.00 0.00 54.97 55.32 3kip s GLU 101 Cb -0.10 -3.61 -0.02 0.00 0.26 0.00 0.00 34.13 30.66 3kip s GLU 101 CO 0.01 -0.16 -0.14 0.08 -0.54 0.00 0.00 175.26 174.50 3kip s VAL 102 N 1.72 3.04 -0.06 3.70 1.01 0.02 -1.65 120.40 128.17 3kip s VAL 102 Ca 0.14 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.45 3kip s VAL 102 Cb -0.15 -2.21 -0.00 0.00 0.00 0.00 0.00 36.38 34.02 3kip s VAL 102 CO 0.09 0.57 -0.19 -1.00 0.00 0.00 0.00 175.10 174.57 3kip s HIS 103 N -0.44 1.99 0.34 5.22 3.76 -0.57 -4.18 115.29 121.40 3kip s HIS 103 Ca 0.05 -0.67 0.06 0.00 -0.15 0.00 0.00 55.06 54.35 3kip s HIS 103 Cb -0.12 -1.35 0.60 0.00 1.11 0.00 0.00 32.58 32.83 3kip s HIS 103 CO 0.02 -0.25 1.83 0.82 -0.85 0.00 0.00 174.74 176.31 3kip h ILE 104 N 5.46 1.22 -1.74 0.60 2.04 -1.88 -2.49 117.51 120.72 3kip h ILE 104 Ca -0.29 -0.99 -0.62 0.00 1.00 0.00 0.00 64.86 63.97 3kip h ILE 104 Cb 1.19 1.22 -0.13 0.00 -0.74 0.00 0.00 36.82 38.36 3kip h ILE 104 CO 0.47 0.31 -0.60 0.42 0.00 0.00 0.00 178.15 178.76 3kip s THR 105 N -4.67 1.93 -0.72 -0.27 -4.23 -1.26 -1.60 115.64 104.82 3kip s THR 105 Ca -0.06 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.24 3kip s THR 105 Cb 0.15 -2.98 0.09 0.00 1.34 0.00 0.00 72.50 71.10 3kip s THR 105 CO 0.76 0.00 0.95 0.21 -0.54 0.00 0.00 174.62 176.00 3kip s ASN 106 N -3.70 6.30 0.56 3.99 3.04 -1.26 -2.92 114.94 120.95 3kip s ASN 106 Ca 0.35 -1.37 0.28 0.00 0.04 0.00 0.00 52.86 52.16 3kip s ASN 106 Cb 0.10 -2.39 1.47 0.00 -1.54 0.00 0.00 41.25 38.89 3kip s ASN 106 CO 0.18 -1.27 1.94 -0.37 -3.04 0.00 0.00 177.10 174.53 3kip h VAL 107 N 5.92 0.52 0.00 -5.21 -1.51 -1.92 0.11 116.25 114.15 3kip h VAL 107 Ca -0.17 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 3kip h VAL 107 Cb 1.06 0.65 0.00 0.00 -2.13 0.00 0.00 31.29 30.87 3kip h VAL 107 CO 1.14 0.00 0.00 1.41 -1.23 0.00 0.00 177.57 178.89 3kip n HIS 108 N -4.03 0.76 1.43 5.19 8.25 -1.26 -1.09 115.22 124.46 3kip n HIS 108 Ca 0.11 0.30 0.14 0.00 -0.26 0.00 0.00 57.72 58.01 3kip n HIS 108 Cb 0.69 -0.99 0.56 0.00 1.12 0.00 0.00 29.99 31.37 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 -2.20 0.94 -0.81 -0.41 6.02 0.37 -4.94 117.38 116.35 3kip n GLN 109 Ca 0.02 -0.42 0.00 0.00 -0.01 0.00 0.00 57.00 56.59 3kip n GLN 109 Cb 0.21 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.98 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 -0.66 2.50 -1.70 -1.09 1.74 -0.25 -5.08 116.66 112.13 3kip n ARG 110 Ca 0.15 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.82 3kip n ARG 110 Cb 0.30 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.75 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 -0.23 1.98 -0.07 5.56 4.71 -1.26 -4.87 120.64 126.45 3kip n GLU 111 Ca 0.00 0.70 0.23 0.00 -0.01 0.00 0.00 57.16 58.08 3kip n GLU 111 Cb 0.00 -2.37 0.69 0.00 -1.01 0.00 0.00 31.44 28.75 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 2.20 0.03 0.00 3.49 0.11 -1.95 0.96 132.00 136.84 3kip h PRO 112 Ca -0.47 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3kip h PRO 112 Cb 1.29 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 3kip h PRO 112 CO 0.61 0.02 -0.04 0.27 -0.21 0.00 0.00 178.00 178.65 3kip h PHE 113 N 0.03 0.00 -0.00 0.65 -5.15 -1.97 -0.44 116.94 110.06 3kip h PHE 113 Ca 0.32 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.09 3kip h PHE 113 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.40 3kip h PHE 113 CO -0.00 0.04 -0.05 0.54 -2.00 0.00 0.00 178.31 176.83 3kip n ARG 114 N -3.27 0.53 0.07 6.09 1.74 0.33 -2.98 116.66 119.17 3kip n ARG 114 Ca -0.01 -0.09 0.13 0.00 -0.77 0.00 0.00 57.85 57.10 3kip n ARG 114 Cb 0.20 -1.50 0.37 0.00 -1.02 0.00 0.00 32.46 30.50 3kip n ARG 114 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3kip n HIS 115 N -1.16 0.65 -3.60 -1.55 8.25 -0.17 -4.76 115.22 112.88 3kip n HIS 115 Ca 0.14 0.19 -0.37 0.00 -0.26 0.00 0.00 57.72 57.42 3kip n HIS 115 Cb 0.26 -0.77 -0.06 0.00 1.12 0.00 0.00 29.99 30.53 3kip n HIS 115 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3kip s GLN 116 N -3.10 3.96 0.01 -0.41 -1.52 -1.16 -5.07 119.66 112.38 3kip s GLN 116 Ca 0.10 0.15 0.05 0.00 -1.95 0.00 0.00 55.36 53.71 3kip s GLN 116 Cb 0.14 -3.31 -0.02 0.00 -0.22 0.00 0.00 33.01 29.60 3kip s GLN 116 CO 0.62 0.51 -0.15 0.45 -0.25 0.00 0.00 175.29 176.47 3kip s SER 117 N -0.37 1.81 0.00 5.90 0.15 -1.26 -4.31 113.70 115.62 3kip s SER 117 Ca 0.19 -0.37 0.29 0.00 0.70 0.00 0.00 55.95 56.75 3kip s SER 117 Cb -0.14 -0.16 1.25 0.00 -1.71 0.00 0.00 66.02 65.25 3kip s SER 117 CO 0.07 0.13 1.86 -1.22 1.20 0.00 0.00 173.24 175.28 3kip n TYR 118 N 2.30 0.00 -0.13 3.44 4.01 0.83 -4.34 117.16 123.28 3kip n TYR 118 Ca -0.16 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.34 3kip n TYR 118 Cb 0.55 -0.12 -0.11 0.00 -0.31 0.00 0.00 39.34 39.35 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 -0.72 2.48 -0.29 7.72 4.77 -1.26 -4.74 117.00 124.96 3kip n LEU 119 Ca 0.16 0.10 0.23 0.00 -0.03 0.00 0.00 56.01 56.47 3kip n LEU 119 Cb 0.27 -0.88 0.43 0.00 -2.33 0.00 0.00 43.42 40.91 3kip n LEU 119 CO 0.22 0.76 0.85 -1.20 -1.33 0.00 0.00 177.39 176.69 3kip n SER 120 N -3.74 0.16 0.13 -1.43 7.64 -1.26 -0.38 113.62 114.74 3kip n SER 120 Ca -0.49 1.48 0.13 0.00 1.01 0.00 0.00 58.87 60.99 3kip n SER 120 Cb 0.94 -0.66 0.31 0.00 -1.01 0.00 0.00 64.21 63.80 3kip n SER 120 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 3kip h ASP 121 N 0.00 0.00 0.04 6.43 2.03 -1.85 -3.15 116.42 119.92 3kip h ASP 121 Ca 0.67 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.95 3kip h ASP 121 Cb 1.67 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.17 3kip h ASP 121 CO -0.74 0.01 -1.49 0.29 -1.03 0.00 0.00 179.24 176.29 3kip n LYS 122 N -2.47 0.35 -1.83 4.15 4.76 0.49 -5.00 118.16 118.61 3kip n LYS 122 Ca 0.05 -0.10 -0.34 0.00 -2.87 0.00 0.00 58.31 55.06 3kip n LYS 122 Cb 0.46 -1.52 0.04 0.00 -1.84 0.00 0.00 35.03 32.17 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 -3.27 2.48 0.01 7.82 0.00 -0.58 -4.82 121.76 123.39 3kip s ALA 123 Ca -0.00 0.65 -0.25 0.00 0.00 0.00 0.00 51.96 52.36 3kip s ALA 123 Cb 0.15 -3.35 -0.14 0.00 0.00 0.00 0.00 23.12 19.78 3kip s ALA 123 CO 0.88 -1.24 1.08 0.28 0.00 0.00 0.00 175.76 176.76 3kip h VAL 124 N 0.25 0.00 -3.52 0.00 2.07 -1.29 -3.47 116.25 110.30 3kip h VAL 124 Ca -0.48 -0.29 -0.37 0.00 0.82 0.00 0.00 66.70 66.39 3kip h VAL 124 Cb 1.26 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.88 3kip h VAL 124 CO 0.54 0.00 -0.63 0.00 0.02 0.00 0.00 177.57 177.50 3kip s ALA 125 N -4.86 1.80 -0.11 1.67 0.00 -1.26 -5.07 121.76 113.93 3kip s ALA 125 Ca -0.13 -1.84 -0.00 0.00 0.00 0.00 0.00 51.96 49.98 3kip s ALA 125 Cb 0.01 0.80 0.02 0.00 0.00 0.00 0.00 23.12 23.96 3kip s ALA 125 CO 0.40 -0.37 -0.07 0.54 0.00 0.00 0.00 175.76 176.25 3kip s VAL 126 N -3.59 1.01 -0.22 0.00 0.11 -1.26 -1.64 120.40 114.81 3kip s VAL 126 Ca 0.34 -0.28 -0.07 0.00 -2.93 0.00 0.00 61.98 59.04 3kip s VAL 126 Cb 0.07 -1.03 -0.03 0.00 -1.53 0.00 0.00 36.38 33.86 3kip s VAL 126 CO 0.12 0.37 0.05 -0.63 -3.33 0.00 0.00 175.10 171.67 3kip s ILE 127 N 1.70 4.31 -0.04 7.04 1.01 -0.66 -5.00 121.20 129.55 3kip s ILE 127 Ca 0.05 -0.18 -0.03 0.00 0.00 0.00 0.00 60.65 60.48 3kip s ILE 127 Cb -0.13 -2.98 0.01 0.00 0.01 0.00 0.00 42.46 39.38 3kip s ILE 127 CO -0.08 0.39 0.10 0.00 0.00 0.00 0.00 174.94 175.35 3kip n GLY 129 N 3.23 0.74 0.58 0.00 0.00 -0.94 -4.70 105.19 104.11 3kip n GLY 129 Ca -0.15 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 1.69 0.00 0.99 7.94 -1.25 -4.74 117.00 121.62 3kip n LEU 130 Ca 0.00 -0.81 0.00 0.00 -1.11 0.00 0.00 56.01 54.09 3kip n LEU 130 Cb 0.00 -0.19 0.00 0.00 0.53 0.00 0.00 43.42 43.76 3kip n LEU 130 CO 0.00 0.41 0.00 0.61 -1.11 0.00 0.00 177.39 177.30 3kip n GLY 131 N 1.04 -0.50 0.26 -3.96 0.00 -0.63 -2.83 105.19 98.58 3kip n GLY 131 Ca 0.12 -1.10 0.14 0.00 0.00 0.00 0.00 46.02 45.18 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 0.45 -0.66 1.61 -1.51 -1.95 -2.09 116.25 112.10 3kip h VAL 132 Ca 0.00 -0.60 0.17 0.00 -1.23 0.00 0.00 66.70 65.04 3kip h VAL 132 Cb 0.00 1.42 -0.03 0.00 -2.13 0.00 0.00 31.29 30.54 3kip h VAL 132 CO 0.00 0.11 0.46 0.22 -1.23 0.00 0.00 177.57 177.14 3kip h TYR 133 N 0.00 0.13 -0.99 5.19 3.20 -1.93 -2.50 116.97 120.06 3kip h TYR 133 Ca -0.00 0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.02 3kip h TYR 133 Cb 0.41 -0.04 -0.16 0.00 1.54 0.00 0.00 36.73 38.48 3kip h TYR 133 CO 0.00 0.05 -0.40 0.41 -1.64 0.00 0.00 178.16 176.57 3kip n GLY 134 N -1.62 -2.09 0.18 1.82 0.00 -0.79 0.47 105.19 103.16 3kip n GLY 134 Ca 0.13 1.12 -0.04 0.00 0.00 0.00 0.00 46.02 47.23 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 0.13 -0.65 1.61 0.05 -1.65 -1.31 116.97 115.16 3kip h TYR 135 Ca 0.33 0.03 0.01 0.00 0.05 0.00 0.00 58.73 59.15 3kip h TYR 135 Cb 0.58 0.01 -0.03 0.00 1.01 0.00 0.00 36.73 38.29 3kip h TYR 135 CO -0.88 0.00 0.43 1.15 -1.05 0.00 0.00 178.16 177.81 3kip h THR 136 N 0.21 1.16 -0.26 -2.88 2.02 -0.03 -1.16 112.91 111.98 3kip h THR 136 Ca 0.21 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 3kip h THR 136 Cb 0.27 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 3kip h THR 136 CO -0.28 0.16 0.15 0.00 0.37 0.00 0.00 175.52 175.92 3kip h ALA 137 N 1.24 0.33 -0.36 6.16 0.00 -0.74 -0.38 119.26 125.51 3kip h ALA 137 Ca 0.24 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.17 3kip h ALA 137 Cb -0.09 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 3kip h ALA 137 CO -0.06 -0.17 0.03 0.00 0.00 0.00 0.00 179.25 179.05 3kip h ALA 138 N 1.05 0.35 -0.81 0.00 0.00 -0.88 -2.40 119.26 116.58 3kip h ALA 138 Ca 0.09 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3kip h ALA 138 Cb 0.02 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3kip h ALA 138 CO -0.02 -0.37 0.42 0.82 0.00 0.00 0.00 179.25 180.11 3kip h ILE 139 N 0.14 1.24 -0.83 0.00 2.04 -0.97 0.14 117.51 119.27 3kip h ILE 139 Ca 0.17 -0.62 0.07 0.00 1.00 0.00 0.00 64.86 65.48 3kip h ILE 139 Cb 0.22 0.17 -0.05 0.00 -0.74 0.00 0.00 36.82 36.42 3kip h ILE 139 CO -0.26 0.28 0.54 -0.33 0.00 0.00 0.00 178.15 178.38 3kip h GLU 140 N 1.13 0.86 0.04 2.37 4.39 -0.64 -0.62 114.58 122.11 3kip h GLU 140 Ca 0.28 -0.05 -0.14 0.00 0.34 0.00 0.00 59.36 59.79 3kip h GLU 140 Cb 0.05 -0.19 0.01 0.00 -0.10 0.00 0.00 28.75 28.52 3kip h GLU 140 CO -0.04 0.57 -0.57 -0.92 -1.16 0.00 0.00 179.01 176.89 3kip h TYR 141 N 0.89 0.49 -0.20 4.33 5.03 -0.84 -3.07 116.97 123.60 3kip h TYR 141 Ca 0.36 -0.30 0.06 0.00 2.58 0.00 0.00 58.73 61.43 3kip h TYR 141 Cb 0.27 -0.04 -0.07 0.00 1.55 0.00 0.00 36.73 38.44 3kip h TYR 141 CO -0.00 1.15 -0.26 0.00 -1.32 0.00 0.00 178.16 177.73 3kip h ALA 142 N 0.22 -0.20 0.00 1.82 0.00 -0.76 -0.85 119.26 119.49 3kip h ALA 142 Ca -0.08 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kip h ALA 142 Cb 1.34 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.66 3kip h ALA 142 CO 0.11 -0.70 0.00 1.28 0.00 0.00 0.00 179.25 179.94 3kip n LEU 143 N -5.38 0.00 -0.57 0.00 4.77 -0.26 -0.58 117.00 114.97 3kip n LEU 143 Ca -0.02 0.32 0.06 0.00 -0.03 0.00 0.00 56.01 56.34 3kip n LEU 143 Cb 0.30 -0.32 0.15 0.00 -2.33 0.00 0.00 43.42 41.22 3kip n LEU 143 CO 0.15 -0.26 0.62 0.59 -1.33 0.00 0.00 177.39 177.17 3kip n ASN 144 N -1.32 2.96 -4.76 -1.43 4.13 -0.34 -4.53 115.26 109.97 3kip n ASN 144 Ca 0.02 -2.25 -0.38 0.00 1.68 0.00 0.00 54.58 53.65 3kip n ASN 144 Cb 0.05 -0.27 -0.06 0.00 -1.54 0.00 0.00 39.78 37.96 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 -1.45 3.59 0.09 3.10 5.04 0.26 -4.89 117.35 123.09 3kip s TYR 145 Ca 0.24 0.92 -0.28 0.00 -2.44 0.00 0.00 57.07 55.51 3kip s TYR 145 Cb 0.15 -2.45 -0.06 0.00 0.35 0.00 0.00 41.96 39.95 3kip s TYR 145 CO 0.12 0.34 0.87 -0.65 -1.34 0.00 0.00 175.55 174.88 3kip s GLN 146 N 0.01 4.62 0.00 4.97 -0.21 -1.26 -1.78 119.66 126.01 3kip s GLN 146 Ca 0.25 1.28 0.01 0.00 0.02 0.00 0.00 55.36 56.92 3kip s GLN 146 Cb -0.16 -3.36 0.09 0.00 1.00 0.00 0.00 33.01 30.58 3kip s GLN 146 CO 0.11 0.28 0.58 1.28 -2.12 0.00 0.00 175.29 175.42