#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 3.32 -0.03 2.61 1.02 -1.26 -2.80 118.68 121.54 3kip s LEU 0 Ca 0.00 1.11 -0.30 0.00 0.02 0.00 0.00 54.13 54.96 3kip s LEU 0 Cb 0.00 -4.06 -0.04 0.00 0.02 0.00 0.00 46.19 42.10 3kip s LEU 0 CO 0.00 -0.87 1.29 0.54 0.02 0.00 0.00 176.35 177.33 3kip s VAL 1 N -3.03 4.00 -0.08 -1.59 0.11 -0.84 -4.93 120.40 114.04 3kip s VAL 1 Ca 0.53 1.36 -0.27 0.00 -2.93 0.00 0.00 61.98 60.67 3kip s VAL 1 Cb -0.11 -3.87 -0.24 0.00 -1.53 0.00 0.00 36.38 30.63 3kip s VAL 1 CO 0.49 0.00 0.97 0.11 -3.33 0.00 0.00 175.10 173.35 3kip h LYS 2 N 7.60 0.06 -4.77 1.54 1.79 -1.92 -3.44 116.57 117.42 3kip h LYS 2 Ca -0.36 -0.06 -0.68 0.00 -2.18 0.00 0.00 60.65 57.36 3kip h LYS 2 Cb 1.17 0.02 -0.32 0.00 -1.58 0.00 0.00 32.23 31.52 3kip h LYS 2 CO 0.89 0.85 -0.69 0.21 -1.08 0.00 0.00 179.45 179.63 3kip s LYS 3 N -2.99 2.46 -0.07 3.15 2.20 -1.26 -1.45 119.74 121.77 3kip s LYS 3 Ca -0.17 -1.25 0.02 0.00 -0.36 0.00 0.00 55.97 54.21 3kip s LYS 3 Cb -0.01 -3.20 -0.03 0.00 -1.51 0.00 0.00 37.83 33.09 3kip s LYS 3 CO 0.70 -0.62 -0.11 0.08 -0.36 0.00 0.00 175.35 175.05 3kip s VAL 4 N 1.27 3.31 -0.23 4.02 1.01 0.61 -0.62 120.40 129.77 3kip s VAL 4 Ca -0.05 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.27 3kip s VAL 4 Cb -0.20 -2.34 -0.00 0.00 0.00 0.00 0.00 36.38 33.84 3kip s VAL 4 CO -0.01 0.58 -0.03 -0.22 0.00 0.00 0.00 175.10 175.42 3kip s LEU 5 N -0.53 3.05 -0.35 3.92 2.96 -0.31 -0.90 118.68 126.53 3kip s LEU 5 Ca 0.07 -0.47 -0.18 0.00 -0.22 0.00 0.00 54.13 53.33 3kip s LEU 5 Cb -0.12 -1.75 -0.00 0.00 0.50 0.00 0.00 46.19 44.82 3kip s LEU 5 CO 0.02 -0.05 0.53 -0.22 -1.32 0.00 0.00 176.35 175.31 3kip s LEU 6 N 1.47 4.31 -0.16 -0.68 2.96 0.22 -0.33 118.68 126.47 3kip s LEU 6 Ca 0.05 0.03 -0.03 0.00 -0.22 0.00 0.00 54.13 53.96 3kip s LEU 6 Cb -0.15 -2.62 -0.02 0.00 0.50 0.00 0.00 46.19 43.90 3kip s LEU 6 CO -0.03 -0.49 -0.04 -0.63 -1.32 0.00 0.00 176.35 173.85 3kip s ILE 7 N 2.44 3.76 -0.06 6.68 1.01 0.54 -0.14 121.20 135.43 3kip s ILE 7 Ca 0.20 -0.40 0.03 0.00 0.00 0.00 0.00 60.65 60.48 3kip s ILE 7 Cb -0.15 -2.66 -0.02 0.00 0.01 0.00 0.00 42.46 39.64 3kip s ILE 7 CO 0.13 0.48 -0.15 0.20 0.00 0.00 0.00 174.94 175.60 3kip s ASN 8 N 0.55 3.91 0.18 3.58 -0.87 -0.53 -0.86 114.94 120.89 3kip s ASN 8 Ca -0.03 -0.25 0.00 0.00 -1.57 0.00 0.00 52.86 51.01 3kip s ASN 8 Cb -0.14 -0.93 0.00 0.00 -0.02 0.00 0.00 41.25 40.16 3kip s ASN 8 CO 0.03 0.31 0.00 0.61 -2.57 0.00 0.00 177.10 175.48 3kip n GLY 9 N 2.54 -0.44 3.70 0.66 0.00 0.22 -2.36 105.19 109.51 3kip n GLY 9 Ca -0.17 -1.70 -0.34 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.26 1.72 0.00 1.61 0.04 -1.06 -2.76 135.00 134.29 3kip s PRO 10 Ca 0.00 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.81 3kip s PRO 10 Cb 0.00 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.76 3kip s PRO 10 CO 0.00 -2.15 0.00 0.09 0.04 0.00 0.00 177.00 174.98 3kip n ASN 11 N -3.18 0.00 -0.15 6.66 3.02 -1.26 -4.65 115.26 115.70 3kip n ASN 11 Ca 0.14 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.66 3kip n ASN 11 Cb 0.50 -0.10 0.04 0.00 -0.61 0.00 0.00 39.78 39.61 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 -0.34 -0.22 3.41 3.38 -1.88 0.46 115.31 120.12 3kip h LEU 12 Ca 0.00 0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.16 3kip h LEU 12 Cb 0.00 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3kip h LEU 12 CO 0.00 -0.12 0.25 -0.46 0.09 0.00 0.00 178.44 178.20 3kip n ASN 13 N -5.29 0.00 -0.79 -0.43 6.94 -1.26 -1.30 115.26 113.13 3kip n ASN 13 Ca 0.05 0.16 0.10 0.00 -0.02 0.00 0.00 54.58 54.86 3kip n ASN 13 Cb 0.26 -0.05 0.29 0.00 -2.36 0.00 0.00 39.78 37.92 3kip n ASN 13 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3kip n LEU 14 N -1.71 2.34 -4.73 -4.53 4.77 0.15 -4.67 117.00 108.62 3kip n LEU 14 Ca 0.05 -1.03 -0.41 0.00 -0.03 0.00 0.00 56.01 54.60 3kip n LEU 14 Cb 0.32 -0.18 -0.05 0.00 -2.33 0.00 0.00 43.42 41.18 3kip n LEU 14 CO 0.05 0.51 0.61 -1.48 -1.33 0.00 0.00 177.39 175.75 3kip s LEU 15 N -1.44 4.49 -0.26 2.23 2.34 -0.42 -0.29 118.68 125.33 3kip s LEU 15 Ca 0.34 1.69 0.03 0.00 0.06 0.00 0.00 54.13 56.25 3kip s LEU 15 Cb 0.19 -3.48 0.06 0.00 -0.56 0.00 0.00 46.19 42.40 3kip s LEU 15 CO 0.27 -0.04 -0.11 -0.83 -1.06 0.00 0.00 176.35 174.58 3kip s GLY 16 N -0.04 1.66 0.00 -3.48 0.00 -1.07 -3.08 107.32 101.32 3kip s GLY 16 Ca 0.44 -1.77 0.16 0.00 0.00 0.00 0.00 44.72 43.56 3kip s GLY 16 CO 0.28 0.61 0.74 2.41 0.00 0.00 0.00 173.10 177.14 3kip n THR 17 N 4.43 0.00 -0.10 0.90 -1.04 0.60 -4.64 114.28 114.43 3kip n THR 17 Ca -0.14 -0.17 -0.20 0.00 -2.04 0.00 0.00 64.05 61.50 3kip n THR 17 Cb 0.42 1.05 -0.09 0.00 -1.82 0.00 0.00 70.33 69.89 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 -1.06 0.55 -0.00 -2.82 0.63 -1.26 -5.18 116.66 107.51 3kip n ARG 18 Ca 0.04 0.53 0.05 0.00 -0.92 0.00 0.00 57.85 57.55 3kip n ARG 18 Cb 0.28 -1.70 -0.06 0.00 0.45 0.00 0.00 32.46 31.42 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 -4.44 0.00 -4.05 -0.14 9.36 -1.26 -5.16 117.16 111.47 3kip n TYR 23 Ca -0.30 0.00 -0.30 0.00 3.32 0.00 0.00 57.90 60.62 3kip n TYR 23 Cb 0.63 -0.01 -0.06 0.00 -0.63 0.00 0.00 39.34 39.27 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 -2.10 2.00 -0.45 2.98 0.00 -1.26 -5.01 107.32 103.47 3kip s GLY 24 Ca 0.04 -1.03 -0.05 0.00 0.00 0.00 0.00 44.72 43.68 3kip s GLY 24 CO 0.46 -1.01 2.61 -1.30 0.00 0.00 0.00 173.10 173.86 3kip n THR 25 N 0.37 2.52 -2.90 0.90 -2.24 -1.26 -4.62 114.28 107.05 3kip n THR 25 Ca -0.08 -1.37 -0.42 0.00 -2.27 0.00 0.00 64.05 59.90 3kip n THR 25 Cb 0.52 -2.03 -0.04 0.00 -2.10 0.00 0.00 70.33 66.68 3kip n THR 25 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3kip s THR 26 N 2.11 4.84 0.75 4.28 2.01 -1.26 -4.76 115.64 123.61 3kip s THR 26 Ca 0.49 1.56 -0.04 0.00 0.31 0.00 0.00 61.69 64.01 3kip s THR 26 Cb 0.19 -4.11 0.13 0.00 0.01 0.00 0.00 72.50 68.71 3kip s THR 26 CO -0.02 -0.06 1.03 -0.94 -0.69 0.00 0.00 174.62 173.94 3kip s SER 27 N 1.33 4.26 0.13 3.53 1.04 -1.26 -2.60 113.70 120.14 3kip s SER 27 Ca 0.35 -0.16 -0.07 0.00 0.48 0.00 0.00 55.95 56.55 3kip s SER 27 Cb -0.15 -0.23 -0.07 0.00 0.10 0.00 0.00 66.02 65.67 3kip s SER 27 CO 0.08 -1.93 1.34 0.25 0.98 0.00 0.00 173.24 173.96 3kip h LEU 28 N -0.67 0.68 -1.83 2.42 5.85 -1.81 -2.81 115.31 117.14 3kip h LEU 28 Ca -0.39 -0.48 0.08 0.00 0.84 0.00 0.00 57.88 57.93 3kip h LEU 28 Cb 1.27 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 3kip h LEU 28 CO 0.43 1.26 0.27 -1.28 -0.34 0.00 0.00 178.44 178.77 3kip h SER 29 N 0.35 0.18 -0.16 1.25 0.87 -1.93 -1.90 113.55 112.21 3kip h SER 29 Ca -0.06 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.36 3kip h SER 29 Cb 1.45 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.38 3kip h SER 29 CO 0.15 0.11 -0.44 0.44 -0.53 0.00 0.00 176.83 176.57 3kip h ASP 30 N 0.20 0.66 -0.65 6.23 3.32 -1.88 -1.04 116.42 123.27 3kip h ASP 30 Ca 0.18 -0.58 -0.02 0.00 0.02 0.00 0.00 57.03 56.63 3kip h ASP 30 Cb 0.45 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 3kip h ASP 30 CO -0.03 1.13 0.35 0.40 -1.72 0.00 0.00 179.24 179.37 3kip h ILE 31 N 0.23 1.20 0.03 0.35 2.04 -1.19 -1.05 117.51 119.13 3kip h ILE 31 Ca -0.01 -0.53 -0.23 0.00 1.00 0.00 0.00 64.86 65.10 3kip h ILE 31 Cb 1.05 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 3kip h ILE 31 CO 0.09 0.23 -1.00 -0.33 0.00 0.00 0.00 178.15 177.15 3kip h GLU 32 N 0.93 0.28 -0.20 2.37 5.08 -1.34 -2.03 114.58 119.68 3kip h GLU 32 Ca 0.24 -0.35 -0.12 0.00 -1.00 0.00 0.00 59.36 58.13 3kip h GLU 32 Cb 0.04 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3kip h GLU 32 CO -0.04 1.07 -0.38 1.96 -1.00 0.00 0.00 179.01 180.63 3kip h GLN 33 N 0.14 0.44 0.10 2.33 1.08 -0.83 -0.88 115.11 117.49 3kip h GLN 33 Ca -0.08 -0.21 -0.00 0.00 -1.45 0.00 0.00 58.65 56.91 3kip h GLN 33 Cb 1.66 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.09 3kip h GLN 33 CO 0.16 0.75 -0.05 0.00 -0.95 0.00 0.00 178.83 178.75 3kip h ALA 34 N 1.23 -0.13 -0.38 3.87 0.00 -0.94 -2.70 119.26 120.20 3kip h ALA 34 Ca 0.04 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.76 3kip h ALA 34 Cb 0.83 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 3kip h ALA 34 CO 0.07 -0.33 -0.43 0.00 0.00 0.00 0.00 179.25 178.56 3kip h ALA 35 N 0.18 -0.64 -0.99 0.00 0.00 -1.38 0.29 119.26 116.71 3kip h ALA 35 Ca -0.01 0.01 0.28 0.00 0.00 0.00 0.00 54.91 55.19 3kip h ALA 35 Cb 0.50 1.07 -0.18 0.00 0.00 0.00 0.00 17.79 19.18 3kip h ALA 35 CO 0.02 -0.86 0.05 0.82 0.00 0.00 0.00 179.25 179.29 3kip h ILE 36 N -0.26 0.01 0.08 0.00 2.04 -1.17 -1.95 117.51 116.26 3kip h ILE 36 Ca 0.07 -0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.92 3kip h ILE 36 Cb 0.44 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 3kip h ILE 36 CO -0.50 0.00 -0.04 -0.33 0.00 0.00 0.00 178.15 177.28 3kip h GLU 37 N 0.01 -0.11 -0.51 2.37 4.39 -0.98 -2.37 114.58 117.37 3kip h GLU 37 Ca 0.62 0.01 0.09 0.00 0.34 0.00 0.00 59.36 60.41 3kip h GLU 37 Cb 1.30 0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 29.88 3kip h GLU 37 CO -0.92 0.43 -0.17 0.94 -1.16 0.00 0.00 179.01 178.13 3kip n GLN 38 N -4.81 -0.08 0.37 2.33 7.27 0.93 -0.14 117.38 123.25 3kip n GLN 38 Ca -0.07 0.79 -0.16 0.00 0.07 0.00 0.00 57.00 57.63 3kip n GLN 38 Cb 0.29 -1.18 -0.08 0.00 2.41 0.00 0.00 30.24 31.67 3kip n GLN 38 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3kip h ALA 39 N 0.86 -0.96 -0.15 1.69 0.00 -1.37 -3.23 119.26 116.09 3kip h ALA 39 Ca 0.21 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3kip h ALA 39 Cb 0.34 0.37 -0.07 0.00 0.00 0.00 0.00 17.79 18.43 3kip h ALA 39 CO -0.52 -0.94 -0.44 0.87 0.00 0.00 0.00 179.25 178.23 3kip h LYS 40 N -1.17 -0.47 0.00 0.00 1.57 -0.33 0.00 116.57 116.17 3kip h LYS 40 Ca -0.10 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3kip h LYS 40 Cb 0.76 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.18 3kip h LYS 40 CO 0.16 -0.32 0.19 -0.11 -0.57 0.00 0.00 179.45 178.81 3kip n LEU 41 N -5.44 0.00 0.09 2.94 7.94 0.80 -0.95 117.00 122.39 3kip n LEU 41 Ca -0.04 0.20 0.12 0.00 -1.11 0.00 0.00 56.01 55.18 3kip n LEU 41 Cb 0.36 -0.20 0.45 0.00 0.53 0.00 0.00 43.42 44.57 3kip n LEU 41 CO 0.11 -0.20 0.86 0.29 -1.11 0.00 0.00 177.39 177.35 3kip n LYS 42 N -1.15 0.18 -0.37 1.96 4.76 -0.01 -4.92 118.16 118.60 3kip n LYS 42 Ca 0.00 0.28 0.00 0.00 -2.87 0.00 0.00 58.31 55.72 3kip n LYS 42 Cb 0.19 -1.76 0.00 0.00 -1.84 0.00 0.00 35.03 31.62 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 -2.08 0.00 -2.29 4.39 5.15 -0.12 -4.93 115.26 115.37 3kip n ASN 43 Ca 0.04 0.00 -0.19 0.00 -0.60 0.00 0.00 54.58 53.83 3kip n ASN 43 Cb 0.31 -0.04 0.02 0.00 -0.53 0.00 0.00 39.78 39.54 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 4.07 -3.65 1.20 6.94 -1.26 -4.92 115.26 117.64 3kip n ASN 44 Ca 0.00 -3.37 -0.27 0.00 -0.02 0.00 0.00 54.58 50.92 3kip n ASN 44 Cb 0.00 -0.40 0.02 0.00 -2.36 0.00 0.00 39.78 37.04 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 -0.61 -4.65 -4.87 0.53 8.00 -1.26 -5.01 116.55 108.68 3kip n ASP 45 Ca 0.34 -0.61 -0.31 0.00 0.71 0.00 0.00 54.79 54.92 3kip n ASP 45 Cb 0.87 -3.76 -0.05 0.00 -0.02 0.00 0.00 41.12 38.17 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 -3.05 6.63 -0.12 -2.24 0.01 -1.26 -4.77 113.70 108.89 3kip s SER 46 Ca 0.55 1.14 -0.07 0.00 1.31 0.00 0.00 55.95 58.87 3kip s SER 46 Cb -0.28 -2.32 0.05 0.00 0.21 0.00 0.00 66.02 63.68 3kip s SER 46 CO 0.67 -0.27 0.30 -0.70 0.41 0.00 0.00 173.24 173.66 3kip s GLU 47 N -3.36 0.28 -0.30 12.44 2.12 -0.53 -4.43 118.70 124.92 3kip s GLU 47 Ca 0.51 0.58 -0.08 0.00 0.36 0.00 0.00 54.97 56.35 3kip s GLU 47 Cb -0.10 -0.04 0.01 0.00 0.26 0.00 0.00 34.13 34.25 3kip s GLU 47 CO 0.24 -0.14 0.11 0.08 -0.54 0.00 0.00 175.26 175.01 3kip s VAL 48 N 1.09 4.16 0.15 3.70 1.01 -1.26 -0.29 120.40 128.96 3kip s VAL 48 Ca -0.08 -0.64 -0.14 0.00 0.00 0.00 0.00 61.98 61.13 3kip s VAL 48 Cb -0.08 -3.16 -0.07 0.00 0.00 0.00 0.00 36.38 33.07 3kip s VAL 48 CO -0.08 0.05 0.54 -0.76 0.00 0.00 0.00 175.10 174.85 3kip s LEU 49 N 1.53 4.32 -0.01 3.92 1.43 -0.08 -4.62 118.68 125.17 3kip s LEU 49 Ca 0.03 1.04 0.04 0.00 -1.03 0.00 0.00 54.13 54.21 3kip s LEU 49 Cb -0.17 -3.28 -0.03 0.00 0.03 0.00 0.00 46.19 42.73 3kip s LEU 49 CO 0.04 0.09 -0.12 0.68 0.23 0.00 0.00 176.35 177.27 3kip s VAL 50 N -1.49 3.28 0.09 -1.59 -7.23 -1.26 -0.61 120.40 111.59 3kip s VAL 50 Ca 0.38 -0.82 0.03 0.00 -1.81 0.00 0.00 61.98 59.76 3kip s VAL 50 Cb -0.15 -2.36 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 3kip s VAL 50 CO 0.19 0.46 -0.09 0.12 -0.31 0.00 0.00 175.10 175.47 3kip s PHE 51 N -0.88 0.99 -0.12 2.82 5.36 0.80 -4.96 117.98 121.99 3kip s PHE 51 Ca 0.14 -0.68 -0.18 0.00 -0.96 0.00 0.00 56.93 55.26 3kip s PHE 51 Cb -0.11 -0.55 0.04 0.00 -0.34 0.00 0.00 43.02 42.07 3kip s PHE 51 CO 0.04 -0.03 0.47 -1.14 -1.46 0.00 0.00 175.22 173.10 3kip s GLN 52 N -2.81 0.65 0.09 10.12 -0.44 -1.26 -1.46 119.66 124.56 3kip s GLN 52 Ca 0.05 0.40 -0.22 0.00 -2.50 0.00 0.00 55.36 53.08 3kip s GLN 52 Cb -0.02 0.31 0.06 0.00 -1.64 0.00 0.00 33.01 31.71 3kip s GLN 52 CO -0.01 -0.13 0.54 0.45 0.50 0.00 0.00 175.29 176.64 3kip s SER 53 N -0.33 -0.46 0.02 6.67 0.15 -0.99 -4.98 113.70 113.77 3kip s SER 53 Ca -0.05 0.08 0.23 0.00 0.70 0.00 0.00 55.95 56.91 3kip s SER 53 Cb -0.03 0.53 0.11 0.00 -1.71 0.00 0.00 66.02 64.91 3kip s SER 53 CO 0.03 -0.81 1.10 0.59 1.20 0.00 0.00 173.24 175.35 3kip n ASN 54 N 0.09 0.67 -4.60 5.45 3.02 -1.26 -2.57 115.26 116.06 3kip n ASN 54 Ca -0.18 -0.42 -0.40 0.00 -0.03 0.00 0.00 54.58 53.55 3kip n ASN 54 Cb 0.62 0.70 -0.08 0.00 -0.61 0.00 0.00 39.78 40.41 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 -3.09 5.05 0.18 3.41 2.01 -1.26 -4.59 115.64 117.34 3kip s THR 55 Ca 0.07 0.68 -0.25 0.00 0.31 0.00 0.00 61.69 62.50 3kip s THR 55 Cb 0.16 -3.87 0.05 0.00 0.01 0.00 0.00 72.50 68.85 3kip s THR 55 CO 0.79 -0.01 1.56 -0.08 -0.69 0.00 0.00 174.62 176.19 3kip h GLU 56 N 8.18 -0.17 -0.40 4.92 4.81 -2.00 -2.07 114.58 127.86 3kip h GLU 56 Ca -0.29 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.03 3kip h GLU 56 Cb 1.14 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.48 3kip h GLU 56 CO 0.73 -0.11 -0.09 0.78 -0.73 0.00 0.00 179.01 179.59 3kip h GLY 57 N -0.17 0.30 1.12 1.92 0.00 -1.99 -0.54 103.07 103.71 3kip h GLY 57 Ca 0.20 0.12 0.03 0.00 0.00 0.00 0.00 47.33 47.68 3kip h GLY 57 CO -0.76 -0.15 0.53 0.74 0.00 0.00 0.00 176.54 176.90 3kip h PHE 58 N 0.01 0.96 -0.53 5.60 0.04 -1.91 0.43 116.94 121.54 3kip h PHE 58 Ca 0.19 0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.89 3kip h PHE 58 Cb 0.29 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.10 3kip h PHE 58 CO -0.35 0.57 -0.05 0.82 -0.60 0.00 0.00 178.31 178.71 3kip h ILE 59 N 1.00 1.27 -0.39 -0.55 2.04 -0.60 0.30 117.51 120.57 3kip h ILE 59 Ca 0.31 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 65.00 3kip h ILE 59 Cb 0.01 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 3kip h ILE 59 CO -0.09 0.41 0.26 0.40 0.00 0.00 0.00 178.15 179.13 3kip h ILE 60 N 0.83 1.10 -0.45 -0.67 2.04 -0.38 -0.62 117.51 119.37 3kip h ILE 60 Ca 0.14 -0.19 0.06 0.00 1.00 0.00 0.00 64.86 65.88 3kip h ILE 60 Cb 0.59 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 37.15 3kip h ILE 60 CO 0.04 0.10 0.13 0.44 0.00 0.00 0.00 178.15 178.86 3kip h ASP 61 N 0.53 0.10 -0.34 1.72 3.32 0.19 -1.68 116.42 120.26 3kip h ASP 61 Ca 0.14 0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.19 3kip h ASP 61 Cb -0.06 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3kip h ASP 61 CO -0.03 0.09 -0.03 -0.09 -1.72 0.00 0.00 179.24 177.46 3kip h ARG 62 N 0.29 0.62 -0.95 3.56 9.65 -0.24 -1.01 114.38 126.29 3kip h ARG 62 Ca 0.22 -0.21 0.16 0.00 -1.10 0.00 0.00 59.98 59.05 3kip h ARG 62 Cb 0.24 -0.05 -0.10 0.00 -1.39 0.00 0.00 29.97 28.68 3kip h ARG 62 CO -0.25 0.76 0.56 0.82 2.80 0.00 0.00 179.97 184.66 3kip h ILE 63 N 0.42 0.75 -0.19 1.20 2.04 -0.92 -0.85 117.51 119.96 3kip h ILE 63 Ca 0.09 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.70 3kip h ILE 63 Cb 0.50 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 3kip h ILE 63 CO 0.02 0.14 0.12 0.45 0.00 0.00 0.00 178.15 178.88 3kip h HIS 64 N 0.76 0.23 0.00 1.37 3.86 -0.27 -2.81 115.15 118.28 3kip h HIS 64 Ca 0.53 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.71 3kip h HIS 64 Cb 0.74 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 29.13 3kip h HIS 64 CO -0.03 0.14 -0.16 1.49 0.86 0.00 0.00 177.93 180.22 3kip h GLU 65 N 0.25 0.00 -0.05 2.45 4.57 -0.75 -2.70 114.58 118.34 3kip h GLU 65 Ca 0.07 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 58.02 3kip h GLU 65 Cb -0.02 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.58 3kip h GLU 65 CO -0.02 0.16 -0.90 0.00 -1.18 0.00 0.00 179.01 177.07 3kip h ALA 66 N 1.84 0.32 0.10 2.92 0.00 -0.94 -2.00 119.26 121.48 3kip h ALA 66 Ca -0.00 -0.66 0.01 0.00 0.00 0.00 0.00 54.91 54.26 3kip h ALA 66 Cb 0.32 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3kip h ALA 66 CO 0.02 0.74 -0.17 -0.22 0.00 0.00 0.00 179.25 179.62 3kip h LYS 67 N 0.36 -0.32 -0.06 0.00 1.63 -1.25 -0.58 116.57 116.36 3kip h LYS 67 Ca -0.08 0.02 0.02 0.00 -0.85 0.00 0.00 60.65 59.76 3kip h LYS 67 Cb 1.53 0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 33.23 3kip h LYS 67 CO 0.17 -0.21 0.36 -0.09 -3.45 0.00 0.00 179.45 176.22 3kip h ARG 68 N -0.33 0.00 -0.17 1.90 2.43 -1.25 -1.84 114.38 115.12 3kip h ARG 68 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3kip h ARG 68 Cb 0.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3kip h ARG 68 CO -0.10 0.00 0.00 1.04 -1.51 0.00 0.00 179.97 179.40 3kip n GLN 69 N -3.01 1.59 -0.81 0.20 6.02 -0.78 -4.98 117.38 115.60 3kip n GLN 69 Ca -0.01 -1.60 0.00 0.00 -0.01 0.00 0.00 57.00 55.38 3kip n GLN 69 Cb 0.42 -1.27 0.00 0.00 1.02 0.00 0.00 30.24 30.42 3kip n GLN 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kip n GLY 70 N 0.69 0.63 3.68 1.08 0.00 -0.69 -4.99 105.19 105.59 3kip n GLY 70 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.71 0.50 0.01 1.61 0.31 -0.27 -4.76 118.33 113.01 3kip n VAL 71 Ca 0.00 -0.09 -0.10 0.00 -0.01 0.00 0.00 64.34 64.14 3kip n VAL 71 Cb 0.00 -2.12 -0.14 0.00 -0.91 0.00 0.00 33.84 30.67 3kip n VAL 71 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3kip h GLY 72 N 9.11 0.07 -4.66 2.92 0.00 -1.19 -3.44 103.07 105.87 3kip h GLY 72 Ca -0.48 -0.17 -0.08 0.00 0.00 0.00 0.00 47.33 46.60 3kip h GLY 72 CO 0.94 0.15 -0.03 -0.12 0.00 0.00 0.00 176.54 177.48 3kip s PHE 73 N -2.63 -0.54 -0.10 5.60 2.19 -1.23 -4.36 117.98 116.92 3kip s PHE 73 Ca -0.05 1.14 0.04 0.00 0.33 0.00 0.00 56.93 58.39 3kip s PHE 73 Cb 0.08 0.25 -0.01 0.00 -1.31 0.00 0.00 43.02 42.03 3kip s PHE 73 CO 0.82 -0.41 -0.22 0.08 1.83 0.00 0.00 175.22 177.33 3kip s VAL 74 N -0.48 2.28 -0.16 3.12 1.01 0.02 -1.16 120.40 125.03 3kip s VAL 74 Ca -0.06 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 60.93 3kip s VAL 74 Cb -0.03 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 3kip s VAL 74 CO 0.04 0.56 -0.03 -0.69 0.00 0.00 0.00 175.10 174.98 3kip s VAL 75 N 0.20 3.95 -0.03 2.92 1.01 0.55 -1.42 120.40 127.59 3kip s VAL 75 Ca -0.13 -0.33 -0.00 0.00 0.00 0.00 0.00 61.98 61.51 3kip s VAL 75 Cb -0.17 -2.74 0.03 0.00 0.00 0.00 0.00 36.38 33.50 3kip s VAL 75 CO 0.07 0.48 0.05 -0.51 0.00 0.00 0.00 175.10 175.19 3kip s ILE 76 N 0.48 -0.06 -0.39 2.22 2.07 -0.18 -0.34 121.20 125.00 3kip s ILE 76 Ca -0.03 0.20 -0.01 0.00 -1.41 0.00 0.00 60.65 59.40 3kip s ILE 76 Cb -0.14 -0.10 0.11 0.00 0.13 0.00 0.00 42.46 42.45 3kip s ILE 76 CO 0.03 0.08 0.16 0.21 -1.91 0.00 0.00 174.94 173.51 3kip s ASN 77 N 1.03 5.14 0.00 4.50 3.84 -0.04 -0.13 114.94 129.29 3kip s ASN 77 Ca -0.09 -2.02 0.29 0.00 0.21 0.00 0.00 52.86 51.25 3kip s ASN 77 Cb -0.12 -1.78 1.29 0.00 -0.55 0.00 0.00 41.25 40.08 3kip s ASN 77 CO -0.03 -0.50 1.89 0.00 -2.79 0.00 0.00 177.10 175.67 3kip n ALA 78 N 4.52 2.73 -0.70 1.71 0.00 -1.26 0.71 120.51 128.22 3kip n ALA 78 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3kip n ALA 78 Cb 0.42 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 1.25 2.01 0.33 0.00 0.00 -1.26 -1.07 105.19 106.45 3kip n GLY 79 Ca 0.15 -0.42 0.22 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.70 1.67 0.00 4.61 0.00 -1.94 -0.19 119.26 122.71 3kip h ALA 80 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3kip h ALA 80 Cb 0.00 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3kip h ALA 80 CO 0.00 -0.71 0.08 1.88 0.00 0.00 0.00 179.25 180.50 3kip h TYR 81 N 0.07 0.00 -0.88 0.00 0.05 -1.48 0.15 116.97 114.89 3kip h TYR 81 Ca 0.71 0.00 0.13 0.00 0.05 0.00 0.00 58.73 59.62 3kip h TYR 81 Cb 1.67 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 39.34 3kip h TYR 81 CO -0.21 0.00 0.57 1.15 -1.05 0.00 0.00 178.16 178.61 3kip h THR 82 N 0.00 0.86 0.00 -2.88 2.02 -1.10 0.35 112.91 112.16 3kip h THR 82 Ca 0.00 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.94 3kip h THR 82 Cb 0.16 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 3kip h THR 82 CO 0.00 0.13 -1.08 1.41 0.37 0.00 0.00 175.52 176.35 3kip n HIS 83 N -4.55 0.02 -0.00 3.16 8.25 0.53 0.41 115.22 123.04 3kip n HIS 83 Ca 0.17 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 3kip n HIS 83 Cb 0.44 -0.11 -0.00 0.00 1.12 0.00 0.00 29.99 31.44 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 -1.62 0.00 -3.31 1.59 -2.24 -0.92 -4.75 114.28 103.04 3kip n THR 84 Ca 0.03 -0.00 -0.46 0.00 -2.27 0.00 0.00 64.05 61.35 3kip n THR 84 Cb 0.37 -0.19 -0.04 0.00 -2.10 0.00 0.00 70.33 68.36 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 -2.47 6.38 0.39 3.42 0.15 0.12 -4.84 113.70 116.86 3kip s SER 85 Ca -0.00 -2.08 0.21 0.00 0.70 0.00 0.00 55.95 54.78 3kip s SER 85 Cb 0.00 -2.22 0.61 0.00 -1.71 0.00 0.00 66.02 62.71 3kip s SER 85 CO 0.00 -0.78 1.69 0.58 1.20 0.00 0.00 173.24 175.94 3kip h VAL 86 N 5.52 0.60 -0.42 4.45 2.07 -1.93 -3.14 116.25 123.39 3kip h VAL 86 Ca -0.16 -1.44 -0.00 0.00 0.82 0.00 0.00 66.70 65.92 3kip h VAL 86 Cb 1.08 1.98 -0.02 0.00 -1.52 0.00 0.00 31.29 32.81 3kip h VAL 86 CO 0.95 0.28 0.26 1.23 0.02 0.00 0.00 177.57 180.31 3kip h GLY 87 N 2.67 0.60 1.43 2.17 0.00 -1.97 -0.40 103.07 107.57 3kip h GLY 87 Ca -0.00 -0.24 -0.10 0.00 0.00 0.00 0.00 47.33 46.99 3kip h GLY 87 CO 0.04 0.24 -0.17 -2.22 0.00 0.00 0.00 176.54 174.42 3kip h ILE 88 N 0.55 1.26 -0.19 2.60 2.04 -1.90 -1.67 117.51 120.20 3kip h ILE 88 Ca 0.15 -1.21 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 3kip h ILE 88 Cb -0.02 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 3kip h ILE 88 CO -0.03 0.40 0.09 -0.09 0.00 0.00 0.00 178.15 178.53 3kip h ARG 89 N 0.60 0.27 0.00 2.37 2.43 -1.34 -2.06 114.38 116.64 3kip h ARG 89 Ca 0.10 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 3kip h ARG 89 Cb 0.63 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3kip h ARG 89 CO 0.04 0.28 -0.06 -0.44 -1.51 0.00 0.00 179.97 178.28 3kip h ASP 90 N 0.18 0.00 -0.04 -3.80 5.19 -0.87 -0.09 116.42 116.99 3kip h ASP 90 Ca 0.06 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.40 3kip h ASP 90 Cb 0.10 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.62 3kip h ASP 90 CO -0.01 0.06 -0.28 0.00 -3.12 0.00 0.00 179.24 175.89 3kip h ALA 91 N 1.94 0.08 -0.35 3.45 0.00 -0.91 0.31 119.26 123.78 3kip h ALA 91 Ca -0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 3kip h ALA 91 Cb 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3kip h ALA 91 CO 0.01 0.12 0.15 -0.07 0.00 0.00 0.00 179.25 179.47 3kip h LEU 92 N -0.31 0.46 -0.46 0.00 3.38 -1.11 -0.02 115.31 117.25 3kip h LEU 92 Ca -0.02 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 3kip h LEU 92 Cb 0.96 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 3kip h LEU 92 CO 0.06 0.48 0.11 -0.07 0.09 0.00 0.00 178.44 179.11 3kip h LEU 93 N 0.42 0.70 0.00 1.67 3.38 -1.03 -0.89 115.31 119.56 3kip h LEU 93 Ca 0.12 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3kip h LEU 93 Cb 0.15 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3kip h LEU 93 CO -0.01 0.75 -0.52 0.61 0.09 0.00 0.00 178.44 179.37 3kip n GLY 94 N -0.60 -1.41 0.10 0.83 0.00 0.11 -2.53 105.19 101.70 3kip n GLY 94 Ca 0.01 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 45.89 3kip n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kip n THR 95 N -1.97 0.00 -2.28 2.61 -2.24 -0.03 -5.02 114.28 105.36 3kip n THR 95 Ca 0.04 -0.05 -0.14 0.00 -2.27 0.00 0.00 64.05 61.63 3kip n THR 95 Cb 0.41 0.91 -0.01 0.00 -2.10 0.00 0.00 70.33 69.55 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 -1.20 -0.42 -2.69 6.98 0.00 -0.36 -4.94 120.51 117.88 3kip n ALA 96 Ca 0.06 0.12 -0.39 0.00 0.00 0.00 0.00 53.44 53.22 3kip n ALA 96 Cb 0.36 -1.67 -0.06 0.00 0.00 0.00 0.00 19.45 18.07 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 -2.71 5.13 0.66 0.00 1.01 -1.11 -5.04 121.20 119.15 3kip s ILE 97 Ca 0.01 0.99 -0.16 0.00 0.00 0.00 0.00 60.65 61.48 3kip s ILE 97 Cb -0.00 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.62 3kip s ILE 97 CO 0.01 0.24 1.16 -2.84 0.00 0.00 0.00 174.94 173.51 3kip s PRO 98 N 1.19 2.66 0.13 2.79 0.02 -1.26 -4.80 135.00 135.73 3kip s PRO 98 Ca 0.26 1.61 -0.08 0.00 0.02 0.00 0.00 61.00 62.81 3kip s PRO 98 Cb -0.15 -1.91 -0.01 0.00 0.02 0.00 0.00 34.50 32.44 3kip s PRO 98 CO 0.10 -1.40 0.22 -0.59 -0.33 0.00 0.00 177.00 175.00 3kip s PHE 99 N -2.03 0.35 -0.03 6.54 -0.71 -1.26 -0.80 117.98 120.04 3kip s PHE 99 Ca 0.72 -0.75 0.05 0.00 -1.04 0.00 0.00 56.93 55.91 3kip s PHE 99 Cb -0.25 -0.11 -0.01 0.00 -1.21 0.00 0.00 43.02 41.44 3kip s PHE 99 CO 0.40 -0.62 -0.19 0.42 -1.34 0.00 0.00 175.22 173.89 3kip s ILE 100 N -3.93 1.51 -0.30 -4.49 1.01 -0.51 -0.85 121.20 113.64 3kip s ILE 100 Ca 0.13 -0.79 -0.16 0.00 0.00 0.00 0.00 60.65 59.83 3kip s ILE 100 Cb 0.04 -1.28 -0.02 0.00 0.01 0.00 0.00 42.46 41.21 3kip s ILE 100 CO -0.04 0.43 0.44 -0.70 0.00 0.00 0.00 174.94 175.07 3kip s GLU 101 N -0.18 3.86 -0.11 2.79 2.12 -0.82 -1.01 118.70 125.34 3kip s GLU 101 Ca 0.01 -0.02 -0.03 0.00 0.36 0.00 0.00 54.97 55.29 3kip s GLU 101 Cb -0.10 -3.72 -0.03 0.00 0.26 0.00 0.00 34.13 30.54 3kip s GLU 101 CO 0.01 -0.43 0.01 0.08 -0.54 0.00 0.00 175.26 174.39 3kip s VAL 102 N 2.20 4.35 -0.09 3.70 1.01 0.82 -1.96 120.40 130.43 3kip s VAL 102 Ca 0.17 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.95 3kip s VAL 102 Cb -0.16 -2.86 0.01 0.00 0.00 0.00 0.00 36.38 33.37 3kip s VAL 102 CO 0.11 0.57 -0.16 -1.00 0.00 0.00 0.00 175.10 174.62 3kip s HIS 103 N -0.54 1.91 0.15 5.22 3.76 -0.84 -4.29 115.29 120.65 3kip s HIS 103 Ca 0.09 -0.80 -0.13 0.00 -0.15 0.00 0.00 55.06 54.07 3kip s HIS 103 Cb -0.12 -1.35 0.01 0.00 1.11 0.00 0.00 32.58 32.23 3kip s HIS 103 CO 0.02 -0.38 1.60 0.82 -0.85 0.00 0.00 174.74 175.95 3kip h ILE 104 N 5.90 1.26 -1.23 0.60 2.04 -1.88 -1.33 117.51 122.87 3kip h ILE 104 Ca -0.28 -1.06 -0.50 0.00 1.00 0.00 0.00 64.86 64.02 3kip h ILE 104 Cb 1.20 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 3kip h ILE 104 CO 0.48 0.37 -0.32 0.42 0.00 0.00 0.00 178.15 179.10 3kip s THR 105 N -5.02 2.43 -0.57 -0.27 -4.23 -1.26 -1.47 115.64 105.24 3kip s THR 105 Ca -0.12 -1.29 -0.21 0.00 -1.18 0.00 0.00 61.69 58.88 3kip s THR 105 Cb 0.11 -2.73 0.07 0.00 1.34 0.00 0.00 72.50 71.29 3kip s THR 105 CO 0.82 0.00 0.79 0.21 -0.54 0.00 0.00 174.62 175.89 3kip s ASN 106 N -4.25 6.23 0.61 3.99 3.04 -1.26 -2.91 114.94 120.39 3kip s ASN 106 Ca 0.48 -0.93 0.36 0.00 0.04 0.00 0.00 52.86 52.81 3kip s ASN 106 Cb -0.04 -2.35 1.99 0.00 -1.54 0.00 0.00 41.25 39.31 3kip s ASN 106 CO 0.28 -1.14 2.26 -0.37 -3.04 0.00 0.00 177.10 175.10 3kip h VAL 107 N 5.93 0.28 0.00 -5.21 -1.51 -1.91 -0.25 116.25 113.58 3kip h VAL 107 Ca -0.28 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.07 3kip h VAL 107 Cb 1.08 1.09 0.00 0.00 -2.13 0.00 0.00 31.29 31.33 3kip h VAL 107 CO 1.07 0.02 0.00 1.41 -1.23 0.00 0.00 177.57 178.84 3kip n HIS 108 N -3.45 0.70 1.20 5.19 8.25 -1.26 -1.54 115.22 124.30 3kip n HIS 108 Ca -0.03 0.30 0.13 0.00 -0.26 0.00 0.00 57.72 57.87 3kip n HIS 108 Cb 0.12 -0.98 0.45 0.00 1.12 0.00 0.00 29.99 30.69 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 -2.16 0.45 0.00 -0.41 6.02 -0.11 -4.94 117.38 116.23 3kip n GLN 109 Ca 0.01 -0.20 0.00 0.00 -0.01 0.00 0.00 57.00 56.80 3kip n GLN 109 Cb 0.16 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.92 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 -1.10 3.38 -1.74 -1.09 1.74 -0.59 -5.05 116.66 112.22 3kip n ARG 110 Ca 0.10 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.77 3kip n ARG 110 Cb 0.32 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 0.00 2.44 -0.35 5.56 4.71 -1.26 -4.90 120.64 126.84 3kip n GLU 111 Ca 0.00 0.86 0.12 0.00 -0.01 0.00 0.00 57.16 58.12 3kip n GLU 111 Cb 0.00 -2.53 0.24 0.00 -1.01 0.00 0.00 31.44 28.13 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 3.00 0.00 0.00 3.49 0.11 -1.95 0.10 132.00 136.76 3kip h PRO 112 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3kip h PRO 112 Cb 1.26 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3kip h PRO 112 CO 0.65 0.00 0.19 0.27 -0.21 0.00 0.00 178.00 178.91 3kip h PHE 113 N 0.00 0.00 -0.00 0.65 -5.15 -1.97 -1.28 116.94 109.19 3kip h PHE 113 Ca 0.56 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.33 3kip h PHE 113 Cb 1.06 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.23 3kip h PHE 113 CO -0.60 0.00 -0.30 0.54 -2.00 0.00 0.00 178.31 175.95 3kip n ARG 114 N -2.72 0.58 0.19 6.09 1.74 0.35 -3.45 116.66 119.44 3kip n ARG 114 Ca -0.02 -0.32 0.08 0.00 -0.77 0.00 0.00 57.85 56.82 3kip n ARG 114 Cb 0.24 -1.49 0.21 0.00 -1.02 0.00 0.00 32.46 30.40 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 0.78 0.00 -3.46 -1.55 3.86 -1.31 -3.44 115.15 110.03 3kip h HIS 115 Ca 0.00 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.67 3kip h HIS 115 Cb 0.49 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.93 3kip h HIS 115 CO 0.00 0.27 0.29 -0.65 0.86 0.00 0.00 177.93 178.70 3kip s GLN 116 N -3.24 4.57 -0.02 2.45 1.11 -1.22 -5.07 119.66 118.24 3kip s GLN 116 Ca 0.04 1.29 0.05 0.00 0.01 0.00 0.00 55.36 56.75 3kip s GLN 116 Cb 0.08 -3.41 -0.01 0.00 -1.01 0.00 0.00 33.01 28.65 3kip s GLN 116 CO 0.69 0.11 -0.16 0.45 0.01 0.00 0.00 175.29 176.39 3kip s SER 117 N 0.47 1.87 0.00 5.90 0.15 -1.26 -4.47 113.70 116.36 3kip s SER 117 Ca 0.46 -0.29 0.16 0.00 0.70 0.00 0.00 55.95 56.98 3kip s SER 117 Cb -0.21 -0.28 0.75 0.00 -1.71 0.00 0.00 66.02 64.56 3kip s SER 117 CO 0.26 0.18 1.51 -1.22 1.20 0.00 0.00 173.24 175.18 3kip n TYR 118 N 2.81 0.13 -0.04 3.44 4.01 0.17 -4.28 117.16 123.39 3kip n TYR 118 Ca -0.15 -0.06 -0.06 0.00 -0.16 0.00 0.00 57.90 57.46 3kip n TYR 118 Cb 0.54 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.54 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 -0.21 2.68 -0.30 7.72 4.77 -1.26 -4.74 117.00 125.66 3kip n LEU 119 Ca 0.13 -0.02 0.11 0.00 -0.03 0.00 0.00 56.01 56.19 3kip n LEU 119 Cb 0.18 -0.28 0.25 0.00 -2.33 0.00 0.00 43.42 41.23 3kip n LEU 119 CO 0.10 0.58 0.85 0.28 -1.33 0.00 0.00 177.39 177.86 3kip h SER 120 N -0.04 -0.30 0.70 -1.43 0.02 -1.95 0.29 113.55 110.84 3kip h SER 120 Ca -0.19 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3kip h SER 120 Cb 1.27 0.38 0.00 0.00 0.14 0.00 0.00 62.40 64.19 3kip h SER 120 CO -0.04 -0.24 0.00 -0.90 -1.14 0.00 0.00 176.83 174.51 3kip n ASP 121 N -5.37 0.57 -0.11 3.07 5.75 -1.26 -2.52 116.55 116.68 3kip n ASP 121 Ca 0.19 0.64 0.04 0.00 -0.01 0.00 0.00 54.79 55.66 3kip n ASP 121 Cb 0.64 -0.76 -0.02 0.00 -1.03 0.00 0.00 41.12 39.95 3kip n ASP 121 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3kip n LYS 122 N -2.13 3.07 -1.49 0.11 4.76 0.88 -5.03 118.16 118.34 3kip n LYS 122 Ca 0.02 -0.31 -0.32 0.00 -2.87 0.00 0.00 58.31 54.83 3kip n LYS 122 Cb 0.22 -0.98 0.07 0.00 -1.84 0.00 0.00 35.03 32.50 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 -1.52 2.33 0.23 7.82 0.00 -0.35 -4.82 121.76 125.46 3kip s ALA 123 Ca 0.06 0.44 -0.06 0.00 0.00 0.00 0.00 51.96 52.39 3kip s ALA 123 Cb 0.07 -3.31 0.21 0.00 0.00 0.00 0.00 23.12 20.09 3kip s ALA 123 CO 0.28 -1.56 1.79 0.28 0.00 0.00 0.00 175.76 176.55 3kip h VAL 124 N -0.55 1.25 -2.83 0.00 2.07 -1.32 -3.47 116.25 111.40 3kip h VAL 124 Ca -0.45 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.24 3kip h VAL 124 Cb 1.24 0.40 -0.13 0.00 -1.52 0.00 0.00 31.29 31.29 3kip h VAL 124 CO 0.52 0.33 0.27 0.00 0.02 0.00 0.00 177.57 178.72 3kip s ALA 125 N -5.46 -1.65 -0.14 1.67 0.00 -1.26 -5.08 121.76 109.85 3kip s ALA 125 Ca -0.12 0.61 0.02 0.00 0.00 0.00 0.00 51.96 52.47 3kip s ALA 125 Cb 0.16 0.78 0.02 0.00 0.00 0.00 0.00 23.12 24.07 3kip s ALA 125 CO 0.83 -0.75 -0.18 0.08 0.00 0.00 0.00 175.76 175.75 3kip s VAL 126 N -3.59 1.77 -0.19 0.00 1.01 -1.26 -1.95 120.40 116.19 3kip s VAL 126 Ca 0.02 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 3kip s VAL 126 Cb -0.01 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.77 3kip s VAL 126 CO -0.12 0.49 -0.13 -0.63 0.00 0.00 0.00 175.10 174.72 3kip s ILE 127 N 1.09 2.73 -0.07 2.22 1.01 -0.83 -5.01 121.20 122.35 3kip s ILE 127 Ca -0.02 -0.72 -0.04 0.00 0.00 0.00 0.00 60.65 59.87 3kip s ILE 127 Cb -0.14 -2.20 0.03 0.00 0.01 0.00 0.00 42.46 40.17 3kip s ILE 127 CO -0.05 0.49 0.16 0.00 0.00 0.00 0.00 174.94 175.54 3kip n GLY 129 N 3.95 1.07 1.38 0.00 0.00 -0.50 -4.65 105.19 106.44 3kip n GLY 129 Ca -0.23 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 4.13 0.00 0.99 7.94 -1.19 -4.75 117.00 124.12 3kip n LEU 130 Ca 0.00 -2.13 0.00 0.00 -1.11 0.00 0.00 56.01 52.77 3kip n LEU 130 Cb 0.00 -0.50 0.00 0.00 0.53 0.00 0.00 43.42 43.45 3kip n LEU 130 CO 0.00 0.93 0.00 0.61 -1.11 0.00 0.00 177.39 177.82 3kip n GLY 131 N 1.44 0.72 0.19 -3.96 0.00 -0.54 -3.32 105.19 99.72 3kip n GLY 131 Ca 0.24 -0.72 0.06 0.00 0.00 0.00 0.00 46.02 45.60 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 0.77 -0.74 1.61 2.07 -1.95 -1.10 116.25 116.91 3kip h VAL 132 Ca 0.00 -1.54 0.20 0.00 0.82 0.00 0.00 66.70 66.18 3kip h VAL 132 Cb 0.00 1.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 3kip h VAL 132 CO 0.00 0.35 0.52 0.22 0.02 0.00 0.00 177.57 178.68 3kip h TYR 133 N 0.00 0.13 -0.84 1.57 3.20 -1.97 -1.72 116.97 117.35 3kip h TYR 133 Ca -0.00 0.00 0.20 0.00 3.14 0.00 0.00 58.73 62.07 3kip h TYR 133 Cb 0.95 -0.04 -0.15 0.00 1.54 0.00 0.00 36.73 39.03 3kip h TYR 133 CO 0.00 0.04 0.01 0.78 -1.64 0.00 0.00 178.16 177.35 3kip h GLY 134 N 0.11 0.97 0.93 1.82 0.00 -1.19 0.19 103.07 105.90 3kip h GLY 134 Ca 0.36 0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.79 3kip h GLY 134 CO -0.04 -0.35 0.12 -0.97 0.00 0.00 0.00 176.54 175.30 3kip h TYR 135 N 0.08 0.61 -0.29 5.60 0.05 -1.51 -2.12 116.97 119.38 3kip h TYR 135 Ca 0.47 -0.06 0.06 0.00 0.05 0.00 0.00 58.73 59.26 3kip h TYR 135 Cb 0.87 -0.18 -0.06 0.00 1.01 0.00 0.00 36.73 38.38 3kip h TYR 135 CO -0.46 0.57 -0.10 1.15 -1.05 0.00 0.00 178.16 178.27 3kip h THR 136 N 0.47 0.64 -0.47 -2.88 2.02 -0.75 -1.45 112.91 110.48 3kip h THR 136 Ca 0.12 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.29 3kip h THR 136 Cb 0.24 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 3kip h THR 136 CO -0.01 0.00 0.26 0.00 0.37 0.00 0.00 175.52 176.15 3kip h ALA 137 N 1.22 0.61 -0.97 6.16 0.00 -1.01 0.61 119.26 125.87 3kip h ALA 137 Ca 0.15 -0.09 0.21 0.00 0.00 0.00 0.00 54.91 55.18 3kip h ALA 137 Cb 0.27 -0.19 -0.09 0.00 0.00 0.00 0.00 17.79 17.78 3kip h ALA 137 CO -0.33 0.13 0.62 0.00 0.00 0.00 0.00 179.25 179.67 3kip h ALA 138 N 1.11 1.97 0.14 0.00 0.00 -0.84 -0.04 119.26 121.60 3kip h ALA 138 Ca 0.17 0.05 -0.28 0.00 0.00 0.00 0.00 54.91 54.85 3kip h ALA 138 Cb 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kip h ALA 138 CO -0.03 -0.32 -1.38 0.82 0.00 0.00 0.00 179.25 178.35 3kip h ILE 139 N 0.57 1.10 -0.88 0.00 2.04 -0.05 0.24 117.51 120.52 3kip h ILE 139 Ca 0.54 -2.45 0.19 0.00 1.00 0.00 0.00 64.86 64.14 3kip h ILE 139 Cb 1.10 2.81 -0.11 0.00 -0.74 0.00 0.00 36.82 39.88 3kip h ILE 139 CO -0.28 0.73 0.42 -0.33 0.00 0.00 0.00 178.15 178.69 3kip h GLU 140 N -0.24 0.49 -0.02 2.37 4.39 -0.66 0.26 114.58 121.17 3kip h GLU 140 Ca -0.28 -0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.30 3kip h GLU 140 Cb 1.81 -0.11 0.01 0.00 -0.10 0.00 0.00 28.75 30.36 3kip h GLU 140 CO 0.10 0.32 -0.31 -0.92 -1.16 0.00 0.00 179.01 177.04 3kip h TYR 141 N 0.50 0.35 -0.26 4.33 5.03 -0.79 -3.11 116.97 123.02 3kip h TYR 141 Ca 0.53 -0.18 0.05 0.00 2.58 0.00 0.00 58.73 61.71 3kip h TYR 141 Cb 0.91 -0.05 -0.08 0.00 1.55 0.00 0.00 36.73 39.06 3kip h TYR 141 CO -0.11 0.96 -0.45 0.00 -1.32 0.00 0.00 178.16 177.24 3kip h ALA 142 N 0.32 -0.57 0.00 1.82 0.00 -0.07 -1.64 119.26 119.12 3kip h ALA 142 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kip h ALA 142 Cb 1.03 0.88 0.00 0.00 0.00 0.00 0.00 17.79 19.70 3kip h ALA 142 CO 0.06 -0.93 0.05 1.28 0.00 0.00 0.00 179.25 179.72 3kip n LEU 143 N -5.42 0.16 -1.55 0.00 4.77 0.88 -2.69 117.00 113.15 3kip n LEU 143 Ca -0.03 0.53 -0.13 0.00 -0.03 0.00 0.00 56.01 56.35 3kip n LEU 143 Cb 0.36 -0.55 0.16 0.00 -2.33 0.00 0.00 43.42 41.06 3kip n LEU 143 CO 0.08 -0.59 0.76 0.59 -1.33 0.00 0.00 177.39 176.90 3kip n ASN 144 N -1.69 3.59 -4.37 -1.43 5.03 -0.62 -4.43 115.26 111.34 3kip n ASN 144 Ca -0.00 -3.77 -0.31 0.00 0.87 0.00 0.00 54.58 51.36 3kip n ASN 144 Cb 0.06 -0.65 -0.15 0.00 -1.02 0.00 0.00 39.78 38.02 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 -3.39 2.41 0.56 3.10 5.04 -1.10 -4.98 117.35 119.01 3kip s TYR 145 Ca 0.49 -0.37 -0.13 0.00 -2.44 0.00 0.00 57.07 54.63 3kip s TYR 145 Cb 0.43 -1.47 -0.06 0.00 0.35 0.00 0.00 41.96 41.21 3kip s TYR 145 CO 0.01 0.09 0.99 -1.14 -1.34 0.00 0.00 175.55 174.16 3kip s GLN 146 N -0.98 3.73 0.00 4.97 0.74 -1.26 -1.98 119.66 124.88 3kip s GLN 146 Ca 0.12 0.78 0.00 0.00 0.05 0.00 0.00 55.36 56.31 3kip s GLN 146 Cb -0.10 -2.13 0.00 0.00 1.10 0.00 0.00 33.01 31.88 3kip s GLN 146 CO 0.01 -0.42 0.00 -0.11 -0.55 0.00 0.00 175.29 174.23