#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kip s LEU 0 N 0.00 3.88 -0.12 1.08 1.43 -1.26 -0.03 118.68 123.66 3kip s LEU 0 Ca 0.00 1.48 -0.29 0.00 -1.03 0.00 0.00 54.13 54.29 3kip s LEU 0 Cb 0.00 -4.34 -0.05 0.00 0.03 0.00 0.00 46.19 41.83 3kip s LEU 0 CO 0.00 -0.38 1.75 -0.69 0.23 0.00 0.00 176.35 177.26 3kip s VAL 1 N -2.27 3.48 -0.08 -1.59 1.01 -0.65 -4.78 120.40 115.52 3kip s VAL 1 Ca 0.58 0.55 0.21 0.00 0.00 0.00 0.00 61.98 63.32 3kip s VAL 1 Cb -0.10 -3.44 -0.28 0.00 0.00 0.00 0.00 36.38 32.57 3kip s VAL 1 CO 0.21 -0.14 0.49 0.29 0.00 0.00 0.00 175.10 175.95 3kip n LYS 2 N 7.58 0.66 -4.00 2.72 4.76 -1.26 -4.61 118.16 124.00 3kip n LYS 2 Ca 0.20 -0.11 -0.30 0.00 -2.87 0.00 0.00 58.31 55.23 3kip n LYS 2 Cb 0.44 -1.57 -0.17 0.00 -1.84 0.00 0.00 35.03 31.89 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 -3.31 2.19 -0.11 1.97 2.20 -1.26 -1.34 119.74 120.08 3kip s LYS 3 Ca -0.07 -0.52 0.03 0.00 -0.36 0.00 0.00 55.97 55.05 3kip s LYS 3 Cb 0.12 -2.03 0.01 0.00 -1.51 0.00 0.00 37.83 34.42 3kip s LYS 3 CO 0.88 -0.24 -0.19 0.08 -0.36 0.00 0.00 175.35 175.52 3kip s VAL 4 N 1.52 1.72 -0.24 4.02 1.01 -0.56 -1.69 120.40 126.17 3kip s VAL 4 Ca 0.05 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.13 3kip s VAL 4 Cb -0.13 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 3kip s VAL 4 CO -0.10 0.48 0.15 -0.22 0.00 0.00 0.00 175.10 175.41 3kip s LEU 5 N 0.71 4.04 -0.31 3.92 2.96 -0.12 -0.65 118.68 129.23 3kip s LEU 5 Ca -0.12 0.07 -0.23 0.00 -0.22 0.00 0.00 54.13 53.63 3kip s LEU 5 Cb -0.16 -2.09 0.00 0.00 0.50 0.00 0.00 46.19 44.44 3kip s LEU 5 CO 0.02 0.05 0.79 -0.22 -1.32 0.00 0.00 176.35 175.67 3kip s LEU 6 N 1.18 4.09 -0.14 -0.68 2.96 0.20 -1.30 118.68 124.99 3kip s LEU 6 Ca 0.07 0.63 -0.03 0.00 -0.22 0.00 0.00 54.13 54.58 3kip s LEU 6 Cb -0.14 -3.07 -0.03 0.00 0.50 0.00 0.00 46.19 43.45 3kip s LEU 6 CO 0.05 -0.63 -0.05 -0.63 -1.32 0.00 0.00 176.35 173.78 3kip s ILE 7 N 2.97 3.84 -0.08 6.68 1.01 0.13 -0.23 121.20 135.52 3kip s ILE 7 Ca 0.32 -0.39 0.03 0.00 0.00 0.00 0.00 60.65 60.62 3kip s ILE 7 Cb -0.14 -2.66 -0.01 0.00 0.01 0.00 0.00 42.46 39.66 3kip s ILE 7 CO 0.13 0.51 -0.19 0.20 0.00 0.00 0.00 174.94 175.59 3kip s ASN 8 N 0.17 3.54 0.00 3.58 -0.87 -0.10 -1.28 114.94 119.98 3kip s ASN 8 Ca -0.02 -0.40 0.00 0.00 -1.57 0.00 0.00 52.86 50.87 3kip s ASN 8 Cb -0.14 -1.15 0.00 0.00 -0.02 0.00 0.00 41.25 39.94 3kip s ASN 8 CO 0.03 0.23 0.00 0.61 -2.57 0.00 0.00 177.10 175.40 3kip n GLY 9 N 3.07 0.20 3.77 0.66 0.00 0.11 -2.74 105.19 110.27 3kip n GLY 9 Ca -0.18 -1.69 -0.35 0.00 0.00 0.00 0.00 46.02 43.80 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 0.77 3.39 0.00 1.61 0.04 -1.10 -3.42 135.00 136.29 3kip s PRO 10 Ca 0.00 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.67 3kip s PRO 10 Cb 0.00 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.50 3kip s PRO 10 CO 0.00 -0.83 0.00 0.09 0.04 0.00 0.00 177.00 176.30 3kip n ASN 11 N -1.24 0.00 0.18 6.66 3.02 -1.26 -4.48 115.26 118.13 3kip n ASN 11 Ca 0.11 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.78 3kip n ASN 11 Cb 0.51 -0.02 0.62 0.00 -0.61 0.00 0.00 39.78 40.28 3kip n ASN 11 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3kip h LEU 12 N 0.00 0.00 -0.97 3.41 3.38 -1.93 -0.26 115.31 118.94 3kip h LEU 12 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kip h LEU 12 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kip h LEU 12 CO 0.00 0.00 0.00 -0.46 0.09 0.00 0.00 178.44 178.07 3kip n ASN 13 N -2.31 0.42 -0.44 -0.43 6.94 -1.26 -2.86 115.26 115.32 3kip n ASN 13 Ca -0.02 0.68 0.13 0.00 -0.02 0.00 0.00 54.58 55.35 3kip n ASN 13 Cb 0.06 -0.74 0.31 0.00 -2.36 0.00 0.00 39.78 37.05 3kip n ASN 13 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3kip n LEU 14 N -2.05 1.57 -4.76 -4.53 4.77 -0.11 -4.72 117.00 107.17 3kip n LEU 14 Ca -0.01 -0.51 -0.39 0.00 -0.03 0.00 0.00 56.01 55.08 3kip n LEU 14 Cb 0.05 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 3kip n LEU 14 CO 0.09 0.28 0.70 -1.48 -1.33 0.00 0.00 177.39 175.64 3kip s LEU 15 N -2.30 4.52 -0.53 2.23 2.34 -1.14 -0.64 118.68 123.16 3kip s LEU 15 Ca 0.27 2.03 0.04 0.00 0.06 0.00 0.00 54.13 56.54 3kip s LEU 15 Cb 0.20 -3.73 0.14 0.00 -0.56 0.00 0.00 46.19 42.23 3kip s LEU 15 CO 0.45 -0.02 0.30 -0.83 -1.06 0.00 0.00 176.35 175.18 3kip s GLY 16 N -1.20 2.38 0.00 -3.48 0.00 -1.20 -3.32 107.32 100.50 3kip s GLY 16 Ca 0.45 -3.24 0.25 0.00 0.00 0.00 0.00 44.72 42.18 3kip s GLY 16 CO 0.33 1.13 1.42 2.41 0.00 0.00 0.00 173.10 178.38 3kip n THR 17 N 2.99 0.00 -0.05 0.90 -1.04 0.19 -4.64 114.28 112.62 3kip n THR 17 Ca 0.08 -0.19 -0.11 0.00 -2.04 0.00 0.00 64.05 61.80 3kip n THR 17 Cb 0.33 0.71 -0.04 0.00 -1.82 0.00 0.00 70.33 69.51 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 -0.34 0.22 -0.36 -2.82 0.63 -1.26 -5.19 116.66 107.54 3kip n ARG 18 Ca 0.12 0.09 0.02 0.00 -0.92 0.00 0.00 57.85 57.16 3kip n ARG 18 Cb 0.39 -0.88 0.03 0.00 0.45 0.00 0.00 32.46 32.45 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 -3.41 0.00 -4.18 -0.14 9.36 -1.26 -5.14 117.16 112.39 3kip n TYR 23 Ca -0.20 -0.22 -0.22 0.00 3.32 0.00 0.00 57.90 60.58 3kip n TYR 23 Cb 0.64 -0.07 -0.06 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 -1.31 1.61 0.00 2.98 0.00 -1.26 -4.98 107.32 104.37 3kip s GLY 24 Ca 0.07 -1.60 0.00 0.00 0.00 0.00 0.00 44.72 43.19 3kip s GLY 24 CO 0.01 -1.63 0.12 -1.30 0.00 0.00 0.00 173.10 170.30 3kip n THR 25 N -1.06 0.04 -2.51 0.90 -2.24 -1.26 -4.46 114.28 103.69 3kip n THR 25 Ca -0.06 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.29 3kip n THR 25 Cb 0.59 -0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 68.61 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 -0.68 4.16 0.60 4.28 2.01 -1.26 -4.58 115.64 120.17 3kip s THR 26 Ca 0.00 1.24 -0.04 0.00 0.31 0.00 0.00 61.69 63.19 3kip s THR 26 Cb 0.00 -4.39 0.03 0.00 0.01 0.00 0.00 72.50 68.15 3kip s THR 26 CO 0.00 -0.76 0.89 -0.94 -0.69 0.00 0.00 174.62 173.12 3kip s SER 27 N 2.78 5.34 0.23 3.53 1.04 -1.26 -3.22 113.70 122.15 3kip s SER 27 Ca 0.53 0.49 -0.06 0.00 0.48 0.00 0.00 55.95 57.39 3kip s SER 27 Cb -0.11 -1.39 0.22 0.00 0.10 0.00 0.00 66.02 64.83 3kip s SER 27 CO 0.28 -1.19 1.79 0.25 0.98 0.00 0.00 173.24 175.34 3kip h LEU 28 N -0.20 1.02 -0.81 2.42 5.85 -1.77 -2.47 115.31 119.34 3kip h LEU 28 Ca -0.45 -0.17 -0.07 0.00 0.84 0.00 0.00 57.88 58.03 3kip h LEU 28 Cb 1.28 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 3kip h LEU 28 CO 0.59 0.93 0.08 -1.28 -0.34 0.00 0.00 178.44 178.41 3kip h SER 29 N 1.06 0.92 -0.58 1.25 0.87 -1.93 -2.19 113.55 112.96 3kip h SER 29 Ca 0.24 -0.21 0.10 0.00 -1.23 0.00 0.00 61.79 60.69 3kip h SER 29 Cb 0.25 -0.24 -0.08 0.00 -0.44 0.00 0.00 62.40 61.89 3kip h SER 29 CO -0.01 0.94 0.14 0.44 -0.53 0.00 0.00 176.83 177.80 3kip h ASP 30 N 0.91 0.04 -0.15 6.23 3.32 -1.82 0.68 116.42 125.63 3kip h ASP 30 Ca 0.18 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 3kip h ASP 30 Cb 0.43 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 3kip h ASP 30 CO 0.01 0.03 0.06 0.40 -1.72 0.00 0.00 179.24 178.03 3kip h ILE 31 N 0.28 1.14 -0.38 0.35 2.04 -1.21 -1.86 117.51 117.87 3kip h ILE 31 Ca 0.30 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 3kip h ILE 31 Cb 0.42 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 3kip h ILE 31 CO -0.37 0.13 0.15 -0.33 0.00 0.00 0.00 178.15 177.73 3kip h GLU 32 N 0.10 0.57 -0.75 2.37 5.08 -0.92 -1.21 114.58 119.82 3kip h GLU 32 Ca 0.05 -0.11 0.09 0.00 -1.00 0.00 0.00 59.36 58.40 3kip h GLU 32 Cb 0.15 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.24 3kip h GLU 32 CO -0.01 0.55 0.40 1.96 -1.00 0.00 0.00 179.01 180.91 3kip h GLN 33 N 0.47 0.65 0.07 2.33 1.08 -0.73 -1.07 115.11 117.90 3kip h GLN 33 Ca 0.13 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.28 3kip h GLN 33 Cb 0.20 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 3kip h GLN 33 CO -0.01 0.43 -0.04 0.00 -0.95 0.00 0.00 178.83 178.26 3kip h ALA 34 N 1.44 -0.10 -0.13 3.87 0.00 -0.93 0.11 119.26 123.52 3kip h ALA 34 Ca 0.37 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.20 3kip h ALA 34 Cb 0.37 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 3kip h ALA 34 CO -0.26 -0.45 -0.25 0.00 0.00 0.00 0.00 179.25 178.29 3kip h ALA 35 N 0.59 -0.24 -0.42 0.00 0.00 -1.05 0.18 119.26 118.32 3kip h ALA 35 Ca -0.01 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.02 3kip h ALA 35 Cb 0.27 0.49 -0.09 0.00 0.00 0.00 0.00 17.79 18.47 3kip h ALA 35 CO 0.02 -0.72 -0.19 0.82 0.00 0.00 0.00 179.25 179.18 3kip h ILE 36 N -0.32 0.43 -0.36 0.00 2.04 -0.73 -1.75 117.51 116.81 3kip h ILE 36 Ca 0.10 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.00 3kip h ILE 36 Cb 0.47 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 3kip h ILE 36 CO -0.32 0.00 0.15 -0.33 0.00 0.00 0.00 178.15 177.65 3kip h GLU 37 N -0.11 0.30 -0.83 2.37 3.07 -0.36 -2.52 114.58 116.51 3kip h GLU 37 Ca 0.20 -0.02 0.11 0.00 -0.50 0.00 0.00 59.36 59.15 3kip h GLU 37 Cb 0.42 -0.07 -0.13 0.00 -0.84 0.00 0.00 28.75 28.13 3kip h GLU 37 CO -0.49 0.20 -0.47 0.37 -1.40 0.00 0.00 179.01 177.23 3kip h GLN 38 N 0.31 -0.09 0.55 2.33 4.15 0.24 -1.86 115.11 120.74 3kip h GLN 38 Ca 0.16 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.56 3kip h GLN 38 Cb 0.11 0.02 0.01 0.00 0.21 0.00 0.00 27.48 27.83 3kip h GLN 38 CO -0.15 -0.06 -0.27 0.00 -1.93 0.00 0.00 178.83 176.43 3kip h ALA 39 N 0.82 -0.74 -0.91 3.38 0.00 -1.32 -3.13 119.26 117.35 3kip h ALA 39 Ca 0.23 -0.18 0.26 0.00 0.00 0.00 0.00 54.91 55.22 3kip h ALA 39 Cb 0.53 0.29 -0.15 0.00 0.00 0.00 0.00 17.79 18.46 3kip h ALA 39 CO -0.85 -0.88 0.22 0.87 0.00 0.00 0.00 179.25 178.61 3kip h LYS 40 N -0.82 0.14 0.00 0.00 1.57 -1.09 0.48 116.57 116.85 3kip h LYS 40 Ca -0.08 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3kip h LYS 40 Cb 0.60 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 3kip h LYS 40 CO 0.12 0.09 -0.00 1.25 -0.57 0.00 0.00 179.45 180.34 3kip h LEU 41 N 0.15 0.00 0.00 2.94 5.85 -1.31 -0.16 115.31 122.77 3kip h LEU 41 Ca 0.59 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.31 3kip h LEU 41 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 3kip h LEU 41 CO -0.72 0.00 0.00 0.29 -0.34 0.00 0.00 178.44 177.67 3kip n LYS 42 N -3.10 0.15 -3.58 1.25 4.76 0.17 -4.89 118.16 112.91 3kip n LYS 42 Ca -0.01 0.18 -0.22 0.00 -2.87 0.00 0.00 58.31 55.39 3kip n LYS 42 Cb 0.22 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.91 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 -1.27 -3.28 -0.82 4.39 5.15 -0.07 -4.84 115.26 114.51 3kip n ASN 43 Ca 0.05 -0.77 -0.05 0.00 -0.60 0.00 0.00 54.58 53.21 3kip n ASN 43 Cb 0.08 -1.13 -0.05 0.00 -0.53 0.00 0.00 39.78 38.15 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 -1.61 -0.67 -2.80 1.20 0.23 -1.26 -5.02 115.26 105.33 3kip n ASN 44 Ca -0.19 -1.51 -0.12 0.00 -0.53 0.00 0.00 54.58 52.22 3kip n ASN 44 Cb 0.47 0.20 0.06 0.00 -2.08 0.00 0.00 39.78 38.44 3kip n ASN 44 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 3kip n ASP 45 N 0.00 -2.97 -4.81 0.53 -0.08 -1.26 -5.04 116.55 102.91 3kip n ASP 45 Ca -0.19 -0.48 -0.22 0.00 -1.51 0.00 0.00 54.79 52.39 3kip n ASP 45 Cb 0.59 -3.94 -0.05 0.00 2.34 0.00 0.00 41.12 40.06 3kip n ASP 45 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 3kip s SER 46 N -3.81 4.99 -0.20 1.67 0.01 -1.26 -4.89 113.70 110.21 3kip s SER 46 Ca 0.09 -0.67 -0.19 0.00 1.31 0.00 0.00 55.95 56.49 3kip s SER 46 Cb -0.01 -0.79 0.05 0.00 0.21 0.00 0.00 66.02 65.48 3kip s SER 46 CO 0.54 -0.40 0.55 -0.70 0.41 0.00 0.00 173.24 173.65 3kip s GLU 47 N -3.96 0.66 -0.21 12.44 2.12 -0.45 -4.39 118.70 124.91 3kip s GLU 47 Ca 0.41 0.72 -0.05 0.00 0.36 0.00 0.00 54.97 56.41 3kip s GLU 47 Cb -0.04 0.32 -0.02 0.00 0.26 0.00 0.00 34.13 34.65 3kip s GLU 47 CO 0.25 -0.09 0.01 0.08 -0.54 0.00 0.00 175.26 174.97 3kip s VAL 48 N 0.20 3.90 -0.02 3.70 1.01 -1.26 -1.49 120.40 126.44 3kip s VAL 48 Ca -0.01 -0.32 -0.09 0.00 0.00 0.00 0.00 61.98 61.56 3kip s VAL 48 Cb -0.04 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 3kip s VAL 48 CO 0.01 0.41 0.29 -0.76 0.00 0.00 0.00 175.10 175.05 3kip s LEU 49 N 1.23 4.40 -0.03 3.92 1.43 0.17 -4.68 118.68 125.11 3kip s LEU 49 Ca 0.03 0.67 0.04 0.00 -1.03 0.00 0.00 54.13 53.84 3kip s LEU 49 Cb -0.15 -2.54 -0.03 0.00 0.03 0.00 0.00 46.19 43.50 3kip s LEU 49 CO 0.01 0.30 -0.13 0.68 0.23 0.00 0.00 176.35 177.44 3kip s VAL 50 N -1.19 3.17 0.01 -1.59 -7.23 -1.26 -0.63 120.40 111.67 3kip s VAL 50 Ca 0.24 -0.77 -0.06 0.00 -1.81 0.00 0.00 61.98 59.57 3kip s VAL 50 Cb -0.14 -2.28 -0.00 0.00 0.56 0.00 0.00 36.38 34.52 3kip s VAL 50 CO 0.13 0.53 0.12 0.12 -0.31 0.00 0.00 175.10 175.68 3kip s PHE 51 N -0.80 0.07 -0.18 2.82 5.36 0.69 -4.95 117.98 120.98 3kip s PHE 51 Ca 0.13 -0.20 -0.14 0.00 -0.96 0.00 0.00 56.93 55.76 3kip s PHE 51 Cb -0.11 -0.07 0.05 0.00 -0.34 0.00 0.00 43.02 42.56 3kip s PHE 51 CO 0.02 -0.28 0.46 -1.14 -1.46 0.00 0.00 175.22 172.82 3kip s GLN 52 N -1.47 0.51 0.14 10.12 -0.44 -1.26 -0.93 119.66 126.33 3kip s GLN 52 Ca -0.14 0.74 -0.09 0.00 -2.50 0.00 0.00 55.36 53.37 3kip s GLN 52 Cb -0.08 0.16 -0.01 0.00 -1.64 0.00 0.00 33.01 31.44 3kip s GLN 52 CO 0.01 -0.10 0.24 0.45 0.50 0.00 0.00 175.29 176.39 3kip s SER 53 N 0.75 0.08 -0.01 6.67 0.15 -1.11 -4.99 113.70 115.23 3kip s SER 53 Ca -0.04 -0.81 0.22 0.00 0.70 0.00 0.00 55.95 56.02 3kip s SER 53 Cb -0.05 0.40 -0.30 0.00 -1.71 0.00 0.00 66.02 64.35 3kip s SER 53 CO -0.05 -0.83 0.55 0.59 1.20 0.00 0.00 173.24 174.69 3kip n ASN 54 N -0.16 0.13 -4.60 5.45 3.02 -1.26 -2.70 115.26 115.13 3kip n ASN 54 Ca -0.10 -0.04 -0.41 0.00 -0.03 0.00 0.00 54.58 54.00 3kip n ASN 54 Cb 0.63 1.82 -0.06 0.00 -0.61 0.00 0.00 39.78 41.55 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 -3.47 4.94 0.14 3.41 2.01 -1.26 -4.62 115.64 116.79 3kip s THR 55 Ca -0.06 0.89 -0.30 0.00 0.31 0.00 0.00 61.69 62.53 3kip s THR 55 Cb 0.14 -3.99 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 3kip s THR 55 CO 0.90 -0.12 1.56 -0.08 -0.69 0.00 0.00 174.62 176.18 3kip h GLU 56 N 8.15 -0.33 -0.92 4.92 4.81 -2.00 -2.05 114.58 127.17 3kip h GLU 56 Ca -0.27 0.02 0.26 0.00 -0.13 0.00 0.00 59.36 59.24 3kip h GLU 56 Cb 1.12 0.08 -0.16 0.00 0.63 0.00 0.00 28.75 30.42 3kip h GLU 56 CO 0.80 -0.22 0.18 0.78 -0.73 0.00 0.00 179.01 179.81 3kip h GLY 57 N -0.34 1.37 2.00 1.92 0.00 -1.99 0.56 103.07 106.57 3kip h GLY 57 Ca 0.11 0.03 -0.09 0.00 0.00 0.00 0.00 47.33 47.38 3kip h GLY 57 CO -0.61 -0.45 -0.44 0.74 0.00 0.00 0.00 176.54 175.78 3kip h PHE 58 N 0.12 0.00 0.08 5.60 0.04 -1.81 0.26 116.94 121.23 3kip h PHE 58 Ca 0.58 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 61.10 3kip h PHE 58 Cb 1.22 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.37 3kip h PHE 58 CO -0.33 0.44 -1.12 0.82 -0.60 0.00 0.00 178.31 177.52 3kip h ILE 59 N 0.00 1.51 -0.13 -0.55 2.04 -0.55 -1.33 117.51 118.50 3kip h ILE 59 Ca -0.00 -2.94 -0.01 0.00 1.00 0.00 0.00 64.86 62.90 3kip h ILE 59 Cb 0.87 2.79 -0.01 0.00 -0.74 0.00 0.00 36.82 39.73 3kip h ILE 59 CO 0.06 0.86 0.03 0.40 0.00 0.00 0.00 178.15 179.50 3kip h ILE 60 N 0.10 1.19 -0.99 -0.67 2.04 -0.82 -1.54 117.51 116.82 3kip h ILE 60 Ca -0.10 -0.60 0.20 0.00 1.00 0.00 0.00 64.86 65.36 3kip h ILE 60 Cb 1.83 1.34 -0.10 0.00 -0.74 0.00 0.00 36.82 39.15 3kip h ILE 60 CO 0.18 0.18 0.62 0.44 0.00 0.00 0.00 178.15 179.56 3kip h ASP 61 N 0.01 0.68 0.01 1.72 3.32 -0.47 -1.39 116.42 120.30 3kip h ASP 61 Ca 0.04 0.08 -0.26 0.00 0.02 0.00 0.00 57.03 56.92 3kip h ASP 61 Cb 0.24 -0.04 0.02 0.00 0.22 0.00 0.00 39.33 39.77 3kip h ASP 61 CO -0.00 0.24 -0.99 -0.09 -1.72 0.00 0.00 179.24 176.68 3kip h ARG 62 N 0.66 0.69 -0.73 3.56 9.65 -0.52 -1.50 114.38 126.20 3kip h ARG 62 Ca 0.55 -0.71 0.02 0.00 -1.10 0.00 0.00 59.98 58.74 3kip h ARG 62 Cb 1.00 0.19 -0.04 0.00 -1.39 0.00 0.00 29.97 29.73 3kip h ARG 62 CO -0.32 1.30 0.48 0.82 2.80 0.00 0.00 179.97 185.04 3kip h ILE 63 N 0.41 1.15 -0.31 1.20 2.04 -0.88 -1.15 117.51 119.97 3kip h ILE 63 Ca -0.11 -0.33 0.03 0.00 1.00 0.00 0.00 64.86 65.45 3kip h ILE 63 Cb 1.64 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 3kip h ILE 63 CO 0.19 0.17 0.12 0.45 0.00 0.00 0.00 178.15 179.09 3kip h HIS 64 N 0.96 0.21 -0.63 1.37 3.86 -0.73 -1.74 115.15 118.46 3kip h HIS 64 Ca 0.28 0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.62 3kip h HIS 64 Cb -0.06 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 28.32 3kip h HIS 64 CO -0.03 0.10 0.42 1.49 0.86 0.00 0.00 177.93 180.78 3kip h GLU 65 N 0.26 0.34 -0.20 2.45 4.57 -0.71 -2.74 114.58 118.55 3kip h GLU 65 Ca 0.14 -0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 58.21 3kip h GLU 65 Cb 0.09 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.61 3kip h GLU 65 CO -0.13 0.22 -0.22 0.00 -1.18 0.00 0.00 179.01 177.70 3kip h ALA 66 N 1.69 0.29 0.03 2.92 0.00 -0.31 -0.87 119.26 123.01 3kip h ALA 66 Ca 0.30 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3kip h ALA 66 Cb 0.69 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 3kip h ALA 66 CO -0.08 0.24 -0.43 -0.22 0.00 0.00 0.00 179.25 178.76 3kip h LYS 67 N 0.17 -0.54 -1.44 0.00 1.63 -1.23 0.31 116.57 115.47 3kip h LYS 67 Ca 0.03 0.04 0.43 0.00 -0.85 0.00 0.00 60.65 60.30 3kip h LYS 67 Cb 0.77 0.12 -0.09 0.00 -0.60 0.00 0.00 32.23 32.44 3kip h LYS 67 CO 0.05 -0.36 1.00 0.00 -3.45 0.00 0.00 179.45 176.69 3kip h ARG 68 N -0.56 0.07 -0.01 1.90 3.08 -1.23 0.17 114.38 117.79 3kip h ARG 68 Ca 0.01 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kip h ARG 68 Cb 0.59 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3kip h ARG 68 CO -0.28 0.05 -0.02 1.04 -1.07 0.00 0.00 179.97 179.69 3kip n GLN 69 N -4.32 1.51 -1.61 0.04 6.02 -0.38 -4.90 117.38 113.74 3kip n GLN 69 Ca 0.35 -0.81 -0.08 0.00 -0.01 0.00 0.00 57.00 56.44 3kip n GLN 69 Cb 1.49 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 31.24 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 1.18 0.62 3.70 1.08 0.00 0.58 -4.98 105.19 107.37 3kip n GLY 70 Ca 0.19 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 3kip n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kip s VAL 71 N -2.35 2.86 -2.69 1.61 1.01 0.01 -4.84 120.40 116.01 3kip s VAL 71 Ca 0.00 0.49 0.25 0.00 0.00 0.00 0.00 61.98 62.72 3kip s VAL 71 Cb 0.00 -3.32 0.37 0.00 0.00 0.00 0.00 36.38 33.43 3kip s VAL 71 CO 0.00 0.02 1.47 0.61 0.00 0.00 0.00 175.10 177.20 3kip n GLY 72 N 3.86 0.67 3.54 4.51 0.00 -0.68 -4.66 105.19 112.43 3kip n GLY 72 Ca 0.15 -0.58 -0.14 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.92 -0.69 -0.06 1.61 2.19 -1.13 -4.47 117.98 113.52 3kip s PHE 73 Ca 0.33 1.60 0.04 0.00 0.33 0.00 0.00 56.93 59.23 3kip s PHE 73 Cb 0.20 0.27 -0.02 0.00 -1.31 0.00 0.00 43.02 42.16 3kip s PHE 73 CO 0.31 -0.39 -0.15 0.08 1.83 0.00 0.00 175.22 176.90 3kip s VAL 74 N 0.03 2.97 -0.22 3.12 1.01 -0.64 -0.94 120.40 125.73 3kip s VAL 74 Ca -0.02 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 3kip s VAL 74 Cb -0.04 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.19 3kip s VAL 74 CO 0.03 0.58 -0.07 -0.69 0.00 0.00 0.00 175.10 174.95 3kip s VAL 75 N -0.60 3.07 -0.08 2.92 1.01 -0.42 -1.62 120.40 124.68 3kip s VAL 75 Ca 0.09 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.40 3kip s VAL 75 Cb -0.11 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.85 3kip s VAL 75 CO 0.01 0.38 -0.14 -0.51 0.00 0.00 0.00 175.10 174.84 3kip s ILE 76 N 1.42 1.34 -0.45 2.22 2.07 0.27 -0.70 121.20 127.36 3kip s ILE 76 Ca 0.04 -0.58 -0.04 0.00 -1.41 0.00 0.00 60.65 58.67 3kip s ILE 76 Cb -0.15 -1.22 0.12 0.00 0.13 0.00 0.00 42.46 41.34 3kip s ILE 76 CO -0.05 0.40 0.26 0.21 -1.91 0.00 0.00 174.94 173.86 3kip s ASN 77 N 0.78 5.31 0.00 4.50 3.84 -0.40 0.34 114.94 129.31 3kip s ASN 77 Ca -0.12 -2.17 0.30 0.00 0.21 0.00 0.00 52.86 51.09 3kip s ASN 77 Cb -0.16 -1.85 1.50 0.00 -0.55 0.00 0.00 41.25 40.19 3kip s ASN 77 CO 0.02 -0.53 2.02 0.00 -2.79 0.00 0.00 177.10 175.83 3kip n ALA 78 N 4.43 2.61 -0.37 1.71 0.00 -1.26 0.06 120.51 127.69 3kip n ALA 78 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3kip n ALA 78 Cb 0.41 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.41 3kip n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kip n GLY 79 N 1.23 2.52 0.29 0.00 0.00 -1.26 -1.66 105.19 106.30 3kip n GLY 79 Ca 0.16 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.37 1.67 0.00 4.61 0.00 -1.94 0.51 119.26 123.74 3kip h ALA 80 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3kip h ALA 80 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kip h ALA 80 CO 0.00 -0.00 -0.13 1.88 0.00 0.00 0.00 179.25 181.00 3kip h TYR 81 N 0.00 0.00 -1.02 0.00 0.05 -1.69 -1.41 116.97 112.89 3kip h TYR 81 Ca 0.00 0.00 0.41 0.00 0.05 0.00 0.00 58.73 59.19 3kip h TYR 81 Cb 0.00 0.00 -0.17 0.00 1.01 0.00 0.00 36.73 37.58 3kip h TYR 81 CO 0.00 0.13 0.58 2.41 -1.05 0.00 0.00 178.16 180.22 3kip n THR 82 N -3.52 -0.37 0.91 -2.88 -1.04 0.17 -1.05 114.28 106.50 3kip n THR 82 Ca -0.01 1.91 0.10 0.00 -2.04 0.00 0.00 64.05 64.00 3kip n THR 82 Cb 0.27 -3.11 -0.04 0.00 -1.82 0.00 0.00 70.33 65.63 3kip n THR 82 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3kip n HIS 83 N -5.07 0.00 0.00 -1.42 8.25 -0.53 -0.21 115.22 116.24 3kip n HIS 83 Ca 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.83 3kip n HIS 83 Cb 1.28 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.39 3kip n HIS 83 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3kip n THR 84 N -0.58 0.00 -3.49 1.59 -2.24 -0.72 -4.77 114.28 104.06 3kip n THR 84 Ca 0.07 -0.13 -0.40 0.00 -2.27 0.00 0.00 64.05 61.32 3kip n THR 84 Cb 0.38 0.61 -0.03 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 -0.83 6.65 0.44 3.42 0.15 -0.21 -4.83 113.70 118.50 3kip s SER 85 Ca 0.00 -3.67 0.28 0.00 0.70 0.00 0.00 55.95 53.27 3kip s SER 85 Cb 0.00 -2.05 1.36 0.00 -1.71 0.00 0.00 66.02 63.62 3kip s SER 85 CO 0.00 -0.23 1.68 0.58 1.20 0.00 0.00 173.24 176.47 3kip h VAL 86 N 3.87 0.26 -0.28 4.45 2.07 -1.93 -3.00 116.25 121.69 3kip h VAL 86 Ca 0.17 -0.06 -0.10 0.00 0.82 0.00 0.00 66.70 67.54 3kip h VAL 86 Cb 0.84 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3kip h VAL 86 CO 0.93 0.03 -0.21 1.23 0.02 0.00 0.00 177.57 179.58 3kip h GLY 87 N 0.16 0.69 0.66 2.17 0.00 -1.97 -1.26 103.07 103.52 3kip h GLY 87 Ca 0.74 -0.66 0.08 0.00 0.00 0.00 0.00 47.33 47.48 3kip h GLY 87 CO -0.32 0.60 0.65 -2.22 0.00 0.00 0.00 176.54 175.25 3kip h ILE 88 N 0.37 1.04 -0.17 2.60 2.04 -1.89 -0.83 117.51 120.67 3kip h ILE 88 Ca 0.05 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 3kip h ILE 88 Cb 0.75 -0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 3kip h ILE 88 CO 0.05 0.21 0.04 -0.09 0.00 0.00 0.00 178.15 178.36 3kip h ARG 89 N 1.13 0.27 0.00 2.37 2.43 -1.35 -1.81 114.38 117.42 3kip h ARG 89 Ca 0.45 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.51 3kip h ARG 89 Cb 0.26 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 3kip h ARG 89 CO -0.20 0.41 -0.24 -0.44 -1.51 0.00 0.00 179.97 177.99 3kip h ASP 90 N 0.08 0.00 -0.45 -3.80 3.32 -1.01 0.41 116.42 114.97 3kip h ASP 90 Ca 0.05 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.97 3kip h ASP 90 Cb 0.26 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3kip h ASP 90 CO 0.00 0.24 -0.25 0.00 -1.72 0.00 0.00 179.24 177.52 3kip h ALA 91 N 1.76 0.64 -0.10 3.45 0.00 -0.60 0.11 119.26 124.51 3kip h ALA 91 Ca -0.00 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 3kip h ALA 91 Cb 0.59 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3kip h ALA 91 CO 0.03 0.65 -0.19 -0.07 0.00 0.00 0.00 179.25 179.67 3kip h LEU 92 N 0.81 0.35 -0.74 0.00 3.38 -0.69 -1.31 115.31 117.11 3kip h LEU 92 Ca 0.10 -0.55 0.08 0.00 0.09 0.00 0.00 57.88 57.60 3kip h LEU 92 Cb 0.83 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.41 3kip h LEU 92 CO 0.07 0.83 0.40 -0.07 0.09 0.00 0.00 178.44 179.77 3kip h LEU 93 N -0.12 0.57 -0.44 1.67 3.38 -0.96 -0.96 115.31 118.45 3kip h LEU 93 Ca 0.01 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 3kip h LEU 93 Cb 0.77 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 3kip h LEU 93 CO 0.04 0.34 -0.41 1.23 0.09 0.00 0.00 178.44 179.73 3kip h GLY 94 N 0.70 0.00 0.34 0.83 0.00 -0.35 -1.83 103.07 102.77 3kip h GLY 94 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 3kip h GLY 94 CO -0.24 0.00 -0.65 -1.30 0.00 0.00 0.00 176.54 174.35 3kip n THR 95 N -3.32 0.00 -3.62 4.70 -2.24 -0.53 -4.97 114.28 104.29 3kip n THR 95 Ca 0.01 -0.04 -0.23 0.00 -2.27 0.00 0.00 64.05 61.52 3kip n THR 95 Cb 0.62 0.64 0.07 0.00 -2.10 0.00 0.00 70.33 69.56 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 -1.25 -1.61 -2.67 6.98 0.00 -0.38 -4.98 120.51 116.60 3kip n ALA 96 Ca 0.06 0.16 -0.37 0.00 0.00 0.00 0.00 53.44 53.29 3kip n ALA 96 Cb 0.35 -3.97 -0.08 0.00 0.00 0.00 0.00 19.45 15.74 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 -3.38 5.27 0.66 0.00 1.01 -1.14 -5.06 121.20 118.56 3kip s ILE 97 Ca 0.35 0.49 -0.16 0.00 0.00 0.00 0.00 60.65 61.33 3kip s ILE 97 Cb -0.16 -3.63 -0.00 0.00 0.01 0.00 0.00 42.46 38.68 3kip s ILE 97 CO 0.76 0.29 1.17 -2.16 0.00 0.00 0.00 174.94 175.00 3kip s PRO 98 N 1.20 2.66 0.06 2.79 0.04 -1.26 -4.79 135.00 135.69 3kip s PRO 98 Ca 0.14 1.64 -0.13 0.00 0.04 0.00 0.00 61.00 62.70 3kip s PRO 98 Cb -0.14 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.50 3kip s PRO 98 CO 0.06 -1.40 0.28 -0.59 0.04 0.00 0.00 177.00 175.39 3kip s PHE 99 N -1.99 -0.06 -0.11 0.56 -0.71 -1.26 -1.62 117.98 112.80 3kip s PHE 99 Ca 0.72 -0.15 -0.00 0.00 -1.04 0.00 0.00 56.93 56.47 3kip s PHE 99 Cb -0.26 0.07 -0.02 0.00 -1.21 0.00 0.00 43.02 41.60 3kip s PHE 99 CO 0.39 -0.51 -0.10 0.42 -1.34 0.00 0.00 175.22 174.08 3kip s ILE 100 N -2.82 3.37 0.01 -4.49 1.01 -0.64 0.27 121.20 117.91 3kip s ILE 100 Ca -0.03 -0.57 -0.27 0.00 0.00 0.00 0.00 60.65 59.78 3kip s ILE 100 Cb 0.00 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 3kip s ILE 100 CO -0.05 0.54 0.86 -0.70 0.00 0.00 0.00 174.94 175.60 3kip s GLU 101 N -0.07 4.54 -0.04 2.79 2.12 -0.52 -0.57 118.70 126.96 3kip s GLU 101 Ca -0.01 1.22 0.06 0.00 0.36 0.00 0.00 54.97 56.59 3kip s GLU 101 Cb -0.14 -3.42 -0.01 0.00 0.26 0.00 0.00 34.13 30.82 3kip s GLU 101 CO 0.03 0.09 -0.21 0.08 -0.54 0.00 0.00 175.26 174.72 3kip s VAL 102 N 0.57 1.68 -0.16 3.70 1.01 0.15 -2.16 120.40 125.19 3kip s VAL 102 Ca 0.45 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.56 3kip s VAL 102 Cb -0.20 -1.42 0.03 0.00 0.00 0.00 0.00 36.38 34.78 3kip s VAL 102 CO 0.25 0.48 -0.13 -1.00 0.00 0.00 0.00 175.10 174.69 3kip s HIS 103 N -0.19 2.23 0.23 5.22 3.76 -0.61 -4.06 115.29 121.86 3kip s HIS 103 Ca 0.00 -1.31 -0.09 0.00 -0.15 0.00 0.00 55.06 53.51 3kip s HIS 103 Cb -0.11 -1.60 0.36 0.00 1.11 0.00 0.00 32.58 32.33 3kip s HIS 103 CO 0.02 -0.69 1.66 0.82 -0.85 0.00 0.00 174.74 175.70 3kip h ILE 104 N 6.14 0.47 -1.89 0.60 2.04 -1.87 -1.77 117.51 121.23 3kip h ILE 104 Ca -0.35 -0.05 -0.47 0.00 1.00 0.00 0.00 64.86 64.98 3kip h ILE 104 Cb 1.13 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 3kip h ILE 104 CO 0.51 0.03 -0.42 0.42 0.00 0.00 0.00 178.15 178.70 3kip s THR 105 N -6.12 3.93 -0.69 -0.27 -4.23 -1.26 -1.96 115.64 105.04 3kip s THR 105 Ca -0.13 -1.21 -0.27 0.00 -1.18 0.00 0.00 61.69 58.89 3kip s THR 105 Cb 0.20 -3.33 0.03 0.00 1.34 0.00 0.00 72.50 70.73 3kip s THR 105 CO 0.74 -0.19 1.27 0.21 -0.54 0.00 0.00 174.62 176.11 3kip s ASN 106 N -4.04 6.22 0.55 3.99 3.04 -1.26 -3.14 114.94 120.29 3kip s ASN 106 Ca 0.41 -0.28 0.23 0.00 0.04 0.00 0.00 52.86 53.26 3kip s ASN 106 Cb -0.08 -2.56 1.48 0.00 -1.54 0.00 0.00 41.25 38.56 3kip s ASN 106 CO 0.28 -1.76 2.14 1.62 -3.04 0.00 0.00 177.10 176.34 3kip h VAL 107 N 6.08 0.76 0.00 -5.21 3.04 -1.90 -0.70 116.25 118.32 3kip h VAL 107 Ca -0.27 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.42 3kip h VAL 107 Cb 1.05 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 31.26 3kip h VAL 107 CO 1.25 0.00 0.00 0.45 -1.01 0.00 0.00 177.57 178.26 3kip h HIS 108 N 0.00 0.00 -0.00 3.17 3.86 -1.88 -0.97 115.15 119.33 3kip h HIS 108 Ca 0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 3kip h HIS 108 Cb 0.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.73 3kip h HIS 108 CO 0.00 0.00 -0.06 1.04 0.86 0.00 0.00 177.93 179.77 3kip n GLN 109 N -2.50 0.15 -1.08 2.45 6.02 -0.27 -4.94 117.38 117.21 3kip n GLN 109 Ca 0.01 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3kip n GLN 109 Cb 0.24 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.00 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 -1.41 1.70 -1.60 -1.09 1.74 -0.37 -5.05 116.66 110.58 3kip n ARG 110 Ca 0.09 0.00 -0.51 0.00 -0.77 0.00 0.00 57.85 56.66 3kip n ARG 110 Cb 0.31 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.70 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 -0.55 1.31 -0.40 5.56 4.71 -1.26 -4.83 120.64 125.18 3kip n GLU 111 Ca 0.00 0.47 0.35 0.00 -0.01 0.00 0.00 57.16 57.97 3kip n GLU 111 Cb 0.00 -2.12 0.59 0.00 -1.01 0.00 0.00 31.44 28.89 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 2.59 -0.03 0.29 3.49 -0.02 -1.26 -0.09 135.00 139.96 3kip n PRO 112 Ca 0.18 1.10 0.19 0.00 -2.02 0.00 0.00 63.50 62.95 3kip n PRO 112 Cb 0.21 -2.16 0.92 0.00 -0.02 0.00 0.00 33.50 32.46 3kip n PRO 112 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3kip h PHE 113 N 0.00 0.00 -0.01 6.00 -5.15 -1.98 -1.90 116.94 113.90 3kip h PHE 113 Ca 0.77 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.54 3kip h PHE 113 Cb 2.44 0.00 0.00 0.00 0.22 0.00 0.00 35.95 38.61 3kip h PHE 113 CO -0.01 0.00 -0.09 0.54 -2.00 0.00 0.00 178.31 176.75 3kip n ARG 114 N -2.96 1.22 0.08 6.09 1.74 0.87 -3.37 116.66 120.33 3kip n ARG 114 Ca -0.01 -0.63 -0.05 0.00 -0.77 0.00 0.00 57.85 56.39 3kip n ARG 114 Cb 0.17 -1.49 0.13 0.00 -1.02 0.00 0.00 32.46 30.25 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 1.54 0.34 -3.67 -1.55 3.86 -1.47 -3.45 115.15 110.76 3kip h HIS 115 Ca 0.00 -0.12 -0.51 0.00 -1.16 0.00 0.00 60.37 58.58 3kip h HIS 115 Cb 0.44 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.84 3kip h HIS 115 CO 0.00 0.78 0.44 -0.65 0.86 0.00 0.00 177.93 179.36 3kip s GLN 116 N -3.83 4.67 0.00 2.45 1.11 -1.22 -5.05 119.66 117.79 3kip s GLN 116 Ca -0.04 1.68 0.03 0.00 0.01 0.00 0.00 55.36 57.03 3kip s GLN 116 Cb 0.12 -3.26 -0.01 0.00 -1.01 0.00 0.00 33.01 28.85 3kip s GLN 116 CO 0.80 0.21 -0.08 0.45 0.01 0.00 0.00 175.29 176.68 3kip s SER 117 N -0.52 0.94 0.00 5.90 0.15 -1.26 -4.48 113.70 114.43 3kip s SER 117 Ca 0.46 -0.21 0.30 0.00 0.70 0.00 0.00 55.95 57.20 3kip s SER 117 Cb -0.29 -0.08 1.42 0.00 -1.71 0.00 0.00 66.02 65.36 3kip s SER 117 CO 0.36 0.05 1.95 -1.22 1.20 0.00 0.00 173.24 175.58 3kip n TYR 118 N 2.64 0.00 -0.09 3.44 4.01 0.71 -4.15 117.16 123.72 3kip n TYR 118 Ca -0.15 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.39 3kip n TYR 118 Cb 0.57 -0.02 -0.12 0.00 -0.31 0.00 0.00 39.34 39.46 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 -0.43 2.77 -0.30 7.72 4.77 -1.26 -4.74 117.00 125.53 3kip n LEU 119 Ca 0.21 0.02 0.13 0.00 -0.03 0.00 0.00 56.01 56.33 3kip n LEU 119 Cb 0.25 -0.97 0.30 0.00 -2.33 0.00 0.00 43.42 40.67 3kip n LEU 119 CO 0.18 0.87 1.02 0.28 -1.33 0.00 0.00 177.39 178.41 3kip h SER 120 N -0.09 0.25 0.71 -1.43 0.02 -1.94 0.23 113.55 111.30 3kip h SER 120 Ca -0.54 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 3kip h SER 120 Cb 1.90 0.16 0.00 0.00 0.14 0.00 0.00 62.40 64.60 3kip h SER 120 CO -0.07 -0.04 0.00 -0.90 -1.14 0.00 0.00 176.83 174.69 3kip n ASP 121 N -5.09 0.00 -0.12 3.07 5.75 -1.26 -2.82 116.55 116.08 3kip n ASP 121 Ca 0.21 0.35 0.03 0.00 -0.01 0.00 0.00 54.79 55.37 3kip n ASP 121 Cb 0.65 -0.44 -0.00 0.00 -1.03 0.00 0.00 41.12 40.30 3kip n ASP 121 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3kip n LYS 122 N -1.44 2.67 -1.85 0.11 4.76 0.63 -5.04 118.16 118.00 3kip n LYS 122 Ca 0.07 -0.41 -0.32 0.00 -2.87 0.00 0.00 58.31 54.77 3kip n LYS 122 Cb 0.25 -0.94 0.03 0.00 -1.84 0.00 0.00 35.03 32.53 3kip n LYS 122 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kip s ALA 123 N -1.08 2.65 0.12 7.82 0.00 -0.09 -4.76 121.76 126.43 3kip s ALA 123 Ca 0.05 0.35 -0.15 0.00 0.00 0.00 0.00 51.96 52.20 3kip s ALA 123 Cb 0.05 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 19.91 3kip s ALA 123 CO 0.16 -1.03 1.59 0.28 0.00 0.00 0.00 175.76 176.77 3kip h VAL 124 N 0.04 1.25 -3.78 0.00 2.07 -0.51 -3.47 116.25 111.85 3kip h VAL 124 Ca -0.46 -0.91 -0.09 0.00 0.82 0.00 0.00 66.70 66.06 3kip h VAL 124 Cb 1.22 1.08 -0.11 0.00 -1.52 0.00 0.00 31.29 31.96 3kip h VAL 124 CO 0.56 0.31 -0.23 0.00 0.02 0.00 0.00 177.57 178.24 3kip s ALA 125 N -5.12 -0.13 -0.18 1.67 0.00 -1.25 -5.06 121.76 111.70 3kip s ALA 125 Ca -0.13 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 50.97 3kip s ALA 125 Cb 0.10 0.96 0.05 0.00 0.00 0.00 0.00 23.12 24.23 3kip s ALA 125 CO 0.78 -0.73 -0.01 0.08 0.00 0.00 0.00 175.76 175.88 3kip s VAL 126 N -3.98 0.85 -0.13 0.00 1.01 -1.26 -1.43 120.40 115.45 3kip s VAL 126 Ca 0.19 -0.61 -0.17 0.00 0.00 0.00 0.00 61.98 61.39 3kip s VAL 126 Cb 0.02 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 3kip s VAL 126 CO 0.03 -0.04 0.42 -0.63 0.00 0.00 0.00 175.10 174.89 3kip s ILE 127 N 1.73 5.22 -0.20 2.22 1.01 -0.92 -5.00 121.20 125.26 3kip s ILE 127 Ca -0.01 0.83 -0.07 0.00 0.00 0.00 0.00 60.65 61.40 3kip s ILE 127 Cb -0.16 -3.76 0.09 0.00 0.01 0.00 0.00 42.46 38.64 3kip s ILE 127 CO -0.07 0.34 0.43 0.00 0.00 0.00 0.00 174.94 175.64 3kip n GLY 129 N 5.34 1.37 1.42 0.00 0.00 -0.67 -4.63 105.19 108.03 3kip n GLY 129 Ca -0.09 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.00 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 4.85 0.00 0.99 7.94 -1.23 -4.68 117.00 124.88 3kip n LEU 130 Ca 0.00 -2.96 0.00 0.00 -1.11 0.00 0.00 56.01 51.94 3kip n LEU 130 Cb 0.00 -0.62 0.00 0.00 0.53 0.00 0.00 43.42 43.33 3kip n LEU 130 CO 0.00 0.66 0.00 0.61 -1.11 0.00 0.00 177.39 177.55 3kip n GLY 131 N 0.11 2.01 0.17 -3.96 0.00 -0.83 -2.88 105.19 99.81 3kip n GLY 131 Ca 0.25 -0.32 0.04 0.00 0.00 0.00 0.00 46.02 45.98 3kip n GLY 131 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kip h VAL 132 N 0.00 1.02 0.00 1.61 2.07 -1.96 -2.28 116.25 116.71 3kip h VAL 132 Ca 0.00 -1.76 -0.00 0.00 0.82 0.00 0.00 66.70 65.76 3kip h VAL 132 Cb 0.00 2.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 3kip h VAL 132 CO 0.00 0.44 -0.01 0.22 0.02 0.00 0.00 177.57 178.24 3kip h TYR 133 N 0.00 0.00 -0.87 1.57 3.20 -1.95 -2.23 116.97 116.69 3kip h TYR 133 Ca -0.00 0.00 0.13 0.00 3.14 0.00 0.00 58.73 61.99 3kip h TYR 133 Cb 1.00 0.00 -0.14 0.00 1.54 0.00 0.00 36.73 39.14 3kip h TYR 133 CO 0.00 0.01 -0.37 0.41 -1.64 0.00 0.00 178.16 176.58 3kip n GLY 134 N -1.37 -1.87 0.20 1.82 0.00 -0.86 -0.48 105.19 102.63 3kip n GLY 134 Ca -0.03 0.99 -0.05 0.00 0.00 0.00 0.00 46.02 46.93 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 0.50 -0.83 1.61 0.05 -1.60 -1.28 116.97 115.42 3kip h TYR 135 Ca 0.28 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 59.08 3kip h TYR 135 Cb 0.50 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 38.05 3kip h TYR 135 CO -0.79 0.26 0.52 1.15 -1.05 0.00 0.00 178.16 178.25 3kip h THR 136 N 0.53 1.23 -0.25 -2.88 2.02 -0.84 -0.27 112.91 112.45 3kip h THR 136 Ca 0.21 -0.47 -0.13 0.00 0.77 0.00 0.00 66.41 66.79 3kip h THR 136 Cb 0.09 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.53 3kip h THR 136 CO -0.13 0.23 -0.36 0.00 0.37 0.00 0.00 175.52 175.63 3kip h ALA 137 N 1.43 0.38 -0.67 6.16 0.00 -0.92 0.52 119.26 126.16 3kip h ALA 137 Ca 0.30 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 3kip h ALA 137 Cb -0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3kip h ALA 137 CO -0.06 0.46 0.10 0.00 0.00 0.00 0.00 179.25 179.75 3kip h ALA 138 N 0.66 0.92 -0.53 0.00 0.00 -0.89 -0.29 119.26 119.12 3kip h ALA 138 Ca 0.03 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 3kip h ALA 138 Cb 0.95 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3kip h ALA 138 CO 0.08 0.67 0.05 0.82 0.00 0.00 0.00 179.25 180.87 3kip h ILE 139 N 1.03 1.24 -0.15 0.00 2.04 -0.82 0.87 117.51 121.72 3kip h ILE 139 Ca 0.20 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 3kip h ILE 139 Cb 0.45 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 3kip h ILE 139 CO 0.01 0.35 0.06 -0.33 0.00 0.00 0.00 178.15 178.25 3kip h GLU 140 N 0.81 0.21 -0.20 2.37 4.39 -0.13 -0.84 114.58 121.20 3kip h GLU 140 Ca 0.16 -0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.87 3kip h GLU 140 Cb 0.41 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.99 3kip h GLU 140 CO 0.01 0.29 -0.03 -0.92 -1.16 0.00 0.00 179.01 177.20 3kip h TYR 141 N 0.09 -0.07 -0.50 4.33 5.03 -0.69 -2.42 116.97 122.74 3kip h TYR 141 Ca 0.05 0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.42 3kip h TYR 141 Cb 0.15 0.06 -0.04 0.00 1.55 0.00 0.00 36.73 38.45 3kip h TYR 141 CO -0.02 -0.07 0.25 0.00 -1.32 0.00 0.00 178.16 177.00 3kip h ALA 142 N 1.19 0.64 0.00 1.82 0.00 -0.60 -1.63 119.26 120.68 3kip h ALA 142 Ca 0.10 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3kip h ALA 142 Cb 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3kip h ALA 142 CO -0.19 -0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.24 3kip n LEU 143 N -4.90 0.33 -0.00 0.00 4.77 -0.34 -2.07 117.00 114.79 3kip n LEU 143 Ca 0.04 0.61 0.07 0.00 -0.03 0.00 0.00 56.01 56.71 3kip n LEU 143 Cb 0.14 -0.61 -0.09 0.00 -2.33 0.00 0.00 43.42 40.53 3kip n LEU 143 CO 0.29 -0.58 -0.10 0.59 -1.33 0.00 0.00 177.39 176.26 3kip n ASN 144 N -1.90 0.79 -4.74 -1.43 4.13 -0.69 -4.36 115.26 107.06 3kip n ASN 144 Ca 0.01 -0.78 -0.42 0.00 1.68 0.00 0.00 54.58 55.07 3kip n ASN 144 Cb 0.11 1.07 -0.02 0.00 -1.54 0.00 0.00 39.78 39.40 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 -2.52 2.81 -0.14 3.10 5.04 -0.78 -4.81 117.35 120.06 3kip s TYR 145 Ca 0.05 0.58 -0.29 0.00 -2.44 0.00 0.00 57.07 54.96 3kip s TYR 145 Cb 0.12 -4.11 -0.03 0.00 0.35 0.00 0.00 41.96 38.29 3kip s TYR 145 CO 0.64 -3.96 1.38 -1.14 -1.34 0.00 0.00 175.55 171.13 3kip s GLN 146 N 0.24 4.21 0.00 4.97 0.74 -1.26 -1.63 119.66 126.92 3kip s GLN 146 Ca 0.69 1.81 0.09 0.00 0.05 0.00 0.00 55.36 58.00 3kip s GLN 146 Cb -0.49 -3.84 0.56 0.00 1.10 0.00 0.00 33.01 30.34 3kip s GLN 146 CO 0.41 -0.76 1.00 1.28 -0.55 0.00 0.00 175.29 176.67