#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kip s VAL 1 N 0.00 4.77 -0.05 4.08 1.01 -0.86 -4.99 120.40 124.36 3kip s VAL 1 Ca 0.00 2.00 0.15 0.00 0.00 0.00 0.00 61.98 64.14 3kip s VAL 1 Cb 0.00 -4.28 -0.23 0.00 0.00 0.00 0.00 36.38 31.86 3kip s VAL 1 CO 0.00 0.10 0.29 0.29 0.00 0.00 0.00 175.10 175.78 3kip n LYS 2 N 4.32 0.71 -4.01 2.72 4.76 -1.26 -4.75 118.16 120.66 3kip n LYS 2 Ca 0.07 -0.12 -0.31 0.00 -2.87 0.00 0.00 58.31 55.08 3kip n LYS 2 Cb 0.50 -1.38 -0.15 0.00 -1.84 0.00 0.00 35.03 32.16 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 -2.95 1.80 -0.12 1.97 2.20 -1.26 -1.26 119.74 120.12 3kip s LYS 3 Ca -0.06 -1.40 0.01 0.00 -0.36 0.00 0.00 55.97 54.16 3kip s LYS 3 Cb 0.09 -2.86 -0.01 0.00 -1.51 0.00 0.00 37.83 33.54 3kip s LYS 3 CO 0.65 -0.70 -0.16 0.08 -0.36 0.00 0.00 175.35 174.85 3kip s VAL 4 N 1.14 2.79 -0.20 4.02 1.01 -0.40 -1.01 120.40 127.75 3kip s VAL 4 Ca -0.02 -0.76 -0.08 0.00 0.00 0.00 0.00 61.98 61.13 3kip s VAL 4 Cb -0.19 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 3kip s VAL 4 CO -0.07 0.53 0.08 -0.22 0.00 0.00 0.00 175.10 175.42 3kip s LEU 5 N 0.33 3.82 -0.31 3.92 2.96 -0.65 -0.74 118.68 128.01 3kip s LEU 5 Ca -0.13 0.05 -0.12 0.00 -0.22 0.00 0.00 54.13 53.71 3kip s LEU 5 Cb -0.16 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 3kip s LEU 5 CO 0.07 0.12 0.21 -0.22 -1.32 0.00 0.00 176.35 175.21 3kip s LEU 6 N 0.67 4.23 -0.16 -0.68 2.96 0.49 -0.28 118.68 125.91 3kip s LEU 6 Ca 0.04 -0.23 -0.02 0.00 -0.22 0.00 0.00 54.13 53.71 3kip s LEU 6 Cb -0.13 -2.12 -0.01 0.00 0.50 0.00 0.00 46.19 44.43 3kip s LEU 6 CO 0.02 -0.14 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.18 3kip s ILE 7 N 1.73 3.20 -0.09 6.68 1.01 -0.01 -0.86 121.20 132.86 3kip s ILE 7 Ca 0.06 -0.59 -0.01 0.00 0.00 0.00 0.00 60.65 60.12 3kip s ILE 7 Cb -0.17 -2.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.89 3kip s ILE 7 CO 0.10 0.49 -0.05 0.20 0.00 0.00 0.00 174.94 175.69 3kip s ASN 8 N 0.70 4.79 0.33 3.58 -0.87 0.90 -0.69 114.94 123.69 3kip s ASN 8 Ca -0.05 -0.01 0.00 0.00 -1.57 0.00 0.00 52.86 51.24 3kip s ASN 8 Cb -0.15 -1.34 0.00 0.00 -0.02 0.00 0.00 41.25 39.74 3kip s ASN 8 CO 0.02 0.33 0.00 0.61 -2.57 0.00 0.00 177.10 175.49 3kip n GLY 9 N 2.43 0.45 3.57 0.66 0.00 0.11 -2.58 105.19 109.83 3kip n GLY 9 Ca -0.18 -1.88 -0.45 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.66 1.19 0.00 1.61 -0.04 -0.92 -2.54 135.00 133.64 3kip n PRO 10 Ca 0.00 0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.88 3kip n PRO 10 Cb 0.00 -1.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 3kip n PRO 10 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3kip n ASN 11 N 1.29 0.00 -0.14 3.54 3.02 -1.26 -4.57 115.26 117.13 3kip n ASN 11 Ca 0.10 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.73 3kip n ASN 11 Cb 0.32 -0.07 0.40 0.00 -0.61 0.00 0.00 39.78 39.81 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 0.57 0.00 3.41 3.38 -1.87 0.54 115.31 121.34 3kip h LEU 12 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3kip h LEU 12 Cb 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3kip h LEU 12 CO 0.00 0.36 0.27 -0.46 0.09 0.00 0.00 178.44 178.70 3kip n ASN 13 N -4.48 0.00 -0.86 -0.43 0.23 -1.26 -1.44 115.26 107.02 3kip n ASN 13 Ca 0.10 0.18 0.09 0.00 -0.53 0.00 0.00 54.58 54.43 3kip n ASN 13 Cb 0.26 -0.18 0.14 0.00 -2.08 0.00 0.00 39.78 37.91 3kip n ASN 13 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3kip n LEU 14 N -1.16 2.89 -4.81 -4.53 4.77 0.18 -4.77 117.00 109.57 3kip n LEU 14 Ca 0.00 -1.31 -0.37 0.00 -0.03 0.00 0.00 56.01 54.30 3kip n LEU 14 Cb 0.27 -0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 41.18 3kip n LEU 14 CO 0.00 0.59 0.36 -1.48 -1.33 0.00 0.00 177.39 175.52 3kip s LEU 15 N -1.40 4.44 -0.36 2.23 2.34 -0.52 -1.52 118.68 123.90 3kip s LEU 15 Ca 0.27 1.36 0.02 0.00 0.06 0.00 0.00 54.13 55.85 3kip s LEU 15 Cb 0.17 -3.28 0.10 0.00 -0.56 0.00 0.00 46.19 42.62 3kip s LEU 15 CO 0.25 0.15 0.09 -0.83 -1.06 0.00 0.00 176.35 174.94 3kip s GLY 16 N -1.41 1.95 0.03 -3.48 0.00 -1.08 -3.09 107.32 100.24 3kip s GLY 16 Ca 0.37 -2.54 0.22 0.00 0.00 0.00 0.00 44.72 42.77 3kip s GLY 16 CO 0.21 0.96 0.75 2.41 0.00 0.00 0.00 173.10 177.43 3kip n THR 17 N 4.34 0.15 -0.06 0.90 -1.04 -0.58 -4.70 114.28 113.29 3kip n THR 17 Ca 0.02 -0.40 -0.02 0.00 -2.04 0.00 0.00 64.05 61.61 3kip n THR 17 Cb 0.42 0.10 -0.01 0.00 -1.82 0.00 0.00 70.33 69.02 3kip n THR 17 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 3kip h ARG 18 N 0.00 0.00 0.00 -2.82 2.43 -1.98 -3.54 114.38 108.48 3kip h ARG 18 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3kip h ARG 18 Cb 0.89 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.43 3kip h ARG 18 CO 0.00 0.00 -0.14 0.98 -1.51 0.00 0.00 179.97 179.30 3kip n TYR 23 N -4.65 0.00 -2.97 2.20 9.36 -1.26 -5.11 117.16 114.73 3kip n TYR 23 Ca -0.04 -0.76 -0.00 0.00 3.32 0.00 0.00 57.90 60.42 3kip n TYR 23 Cb 0.14 -0.13 0.00 0.00 -0.63 0.00 0.00 39.34 38.72 3kip n TYR 23 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3kip n GLY 24 N -1.07 1.89 1.07 2.98 0.00 -1.26 -4.97 105.19 103.82 3kip n GLY 24 Ca 0.12 -2.12 -0.02 0.00 0.00 0.00 0.00 46.02 43.99 3kip n GLY 24 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kip n THR 25 N -1.02 1.10 -3.28 2.61 -2.24 -1.26 -4.55 114.28 105.64 3kip n THR 25 Ca 0.00 -0.29 -0.41 0.00 -2.27 0.00 0.00 64.05 61.08 3kip n THR 25 Cb 0.00 -0.78 -0.08 0.00 -2.10 0.00 0.00 70.33 67.37 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 -0.76 5.06 0.65 4.28 2.01 -1.26 -4.80 115.64 120.82 3kip s THR 26 Ca 0.09 0.37 -0.03 0.00 0.31 0.00 0.00 61.69 62.44 3kip s THR 26 Cb 0.08 -3.90 0.06 0.00 0.01 0.00 0.00 72.50 68.75 3kip s THR 26 CO 0.02 -0.13 0.92 -0.94 -0.69 0.00 0.00 174.62 173.80 3kip s SER 27 N 1.72 4.90 0.21 3.53 1.04 -1.26 -2.62 113.70 121.22 3kip s SER 27 Ca 0.17 0.14 -0.07 0.00 0.48 0.00 0.00 55.95 56.68 3kip s SER 27 Cb -0.16 -0.84 0.16 0.00 0.10 0.00 0.00 66.02 65.29 3kip s SER 27 CO 0.12 -1.47 1.69 0.25 0.98 0.00 0.00 173.24 174.81 3kip h LEU 28 N -0.33 0.96 -0.96 2.42 5.85 -1.78 -2.60 115.31 118.87 3kip h LEU 28 Ca -0.42 -0.26 0.12 0.00 0.84 0.00 0.00 57.88 58.16 3kip h LEU 28 Cb 1.30 -0.26 -0.09 0.00 0.37 0.00 0.00 40.66 41.99 3kip h LEU 28 CO 0.53 1.01 0.59 -1.28 -0.34 0.00 0.00 178.44 178.95 3kip h SER 29 N 0.91 0.84 0.05 1.25 0.87 -1.94 -0.35 113.55 115.18 3kip h SER 29 Ca 0.17 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.78 3kip h SER 29 Cb 0.52 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 3kip h SER 29 CO 0.03 0.43 -0.02 0.44 -0.53 0.00 0.00 176.83 177.18 3kip h ASP 30 N 0.91 -0.06 -0.44 6.23 3.32 -1.85 -0.90 116.42 123.63 3kip h ASP 30 Ca 0.48 -0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.45 3kip h ASP 30 Cb 0.51 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 3kip h ASP 30 CO -0.28 0.07 0.25 0.40 -1.72 0.00 0.00 179.24 177.96 3kip h ILE 31 N -0.19 1.03 -0.66 0.35 2.04 -1.20 0.24 117.51 119.13 3kip h ILE 31 Ca -0.01 -0.18 0.08 0.00 1.00 0.00 0.00 64.86 65.75 3kip h ILE 31 Cb 0.16 0.48 -0.06 0.00 -0.74 0.00 0.00 36.82 36.66 3kip h ILE 31 CO 0.01 0.09 0.34 -0.33 0.00 0.00 0.00 178.15 178.26 3kip h GLU 32 N 0.51 0.58 -0.13 2.37 5.08 -1.00 -2.49 114.58 119.50 3kip h GLU 32 Ca 0.18 -0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 58.31 3kip h GLU 32 Cb 0.03 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.15 3kip h GLU 32 CO -0.09 0.39 -0.72 1.96 -1.00 0.00 0.00 179.01 179.55 3kip h GLN 33 N 0.60 0.61 -0.52 2.33 1.08 0.07 -2.13 115.11 117.14 3kip h GLN 33 Ca 0.31 -0.48 0.03 0.00 -1.45 0.00 0.00 58.65 57.07 3kip h GLN 33 Cb 0.28 0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.77 3kip h GLN 33 CO -0.23 1.10 0.31 0.00 -0.95 0.00 0.00 178.83 179.05 3kip h ALA 34 N 0.77 0.67 -0.49 3.87 0.00 -0.49 -2.31 119.26 121.28 3kip h ALA 34 Ca -0.03 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 3kip h ALA 34 Cb 1.31 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3kip h ALA 34 CO 0.14 0.01 -0.08 0.00 0.00 0.00 0.00 179.25 179.31 3kip h ALA 35 N 1.24 0.67 -0.29 0.00 0.00 -1.34 0.98 119.26 120.52 3kip h ALA 35 Ca 0.21 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3kip h ALA 35 Cb 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3kip h ALA 35 CO -0.10 0.55 0.08 0.82 0.00 0.00 0.00 179.25 180.60 3kip h ILE 36 N 0.77 1.21 -0.68 0.00 2.04 -1.15 -3.01 117.51 116.70 3kip h ILE 36 Ca 0.13 -0.68 -0.05 0.00 1.00 0.00 0.00 64.86 65.26 3kip h ILE 36 Cb 0.63 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 3kip h ILE 36 CO 0.04 0.23 0.24 -0.08 0.00 0.00 0.00 178.15 178.57 3kip h GLU 37 N 0.31 1.02 -0.97 2.37 4.57 -1.12 -2.69 114.58 118.08 3kip h GLU 37 Ca 0.09 -0.19 0.14 0.00 -1.18 0.00 0.00 59.36 58.22 3kip h GLU 37 Cb 0.26 -0.16 -0.08 0.00 -0.16 0.00 0.00 28.75 28.61 3kip h GLU 37 CO -0.00 0.86 0.61 0.37 -1.18 0.00 0.00 179.01 179.67 3kip h GLN 38 N 1.00 0.82 0.09 1.92 4.15 -0.67 0.27 115.11 122.68 3kip h GLN 38 Ca 0.23 -0.05 -0.29 0.00 0.77 0.00 0.00 58.65 59.30 3kip h GLN 38 Cb 0.24 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 3kip h GLN 38 CO -0.01 0.54 -1.49 0.00 -1.93 0.00 0.00 178.83 175.94 3kip h ALA 39 N 1.58 0.33 0.26 3.38 0.00 -1.47 -3.22 119.26 120.11 3kip h ALA 39 Ca 0.49 -1.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 3kip h ALA 39 Cb 0.65 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3kip h ALA 39 CO -0.26 1.19 -0.30 0.87 0.00 0.00 0.00 179.25 180.76 3kip h LYS 40 N 0.05 -0.55 -1.57 0.00 1.57 -1.16 -2.98 116.57 111.95 3kip h LYS 40 Ca -0.22 0.04 0.47 0.00 -1.87 0.00 0.00 60.65 59.07 3kip h LYS 40 Cb 1.99 0.12 -0.09 0.00 0.08 0.00 0.00 32.23 34.33 3kip h LYS 40 CO 0.15 -0.36 1.10 1.25 -0.57 0.00 0.00 179.45 181.01 3kip h LEU 41 N -0.57 0.09 -1.92 2.94 5.85 -0.56 0.90 115.31 122.05 3kip h LEU 41 Ca -0.03 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.74 3kip h LEU 41 Cb 0.50 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 3kip h LEU 41 CO -0.05 -0.05 0.09 0.11 -0.34 0.00 0.00 178.44 178.19 3kip h LYS 42 N 0.04 0.11 0.00 1.25 1.79 -1.53 -3.46 116.57 114.77 3kip h LYS 42 Ca 0.81 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.27 3kip h LYS 42 Cb 2.99 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 33.62 3kip h LYS 42 CO -0.14 0.07 0.00 -1.71 -1.08 0.00 0.00 179.45 176.59 3kip n ASN 43 N -4.52 0.00 -3.02 0.86 5.15 0.31 -4.94 115.26 109.11 3kip n ASN 43 Ca -0.01 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.64 3kip n ASN 43 Cb 0.13 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.33 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 0.82 7.54 -3.78 1.20 0.23 -1.26 -4.73 115.26 115.28 3kip n ASN 44 Ca 0.00 -2.88 -0.14 0.00 -0.53 0.00 0.00 54.58 51.03 3kip n ASN 44 Cb 0.00 -1.40 0.01 0.00 -2.08 0.00 0.00 39.78 36.30 3kip n ASN 44 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3kip n ASP 45 N 2.23 -1.20 -4.95 0.53 8.00 -1.26 -4.96 116.55 114.95 3kip n ASP 45 Ca 0.62 -0.38 -0.23 0.00 0.71 0.00 0.00 54.79 55.51 3kip n ASP 45 Cb 0.40 -0.46 0.01 0.00 -0.02 0.00 0.00 41.12 41.05 3kip n ASP 45 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3kip s SER 46 N -4.43 5.95 -0.15 -2.24 0.01 -1.26 -4.89 113.70 106.69 3kip s SER 46 Ca 0.14 0.37 -0.11 0.00 1.31 0.00 0.00 55.95 57.66 3kip s SER 46 Cb -0.08 -1.68 0.05 0.00 0.21 0.00 0.00 66.02 64.52 3kip s SER 46 CO 0.28 -0.62 0.37 -0.70 0.41 0.00 0.00 173.24 172.98 3kip s GLU 47 N -4.53 0.40 -0.18 12.44 2.12 -0.39 -4.38 118.70 124.17 3kip s GLU 47 Ca 0.47 0.62 -0.00 0.00 0.36 0.00 0.00 54.97 56.41 3kip s GLU 47 Cb -0.10 0.09 0.01 0.00 0.26 0.00 0.00 34.13 34.39 3kip s GLU 47 CO 0.38 -0.10 -0.15 0.08 -0.54 0.00 0.00 175.26 174.92 3kip s VAL 48 N 0.75 2.49 0.05 3.70 1.01 -1.26 -1.27 120.40 125.88 3kip s VAL 48 Ca -0.04 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.10 3kip s VAL 48 Cb -0.06 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 3kip s VAL 48 CO -0.05 0.51 0.26 -0.76 0.00 0.00 0.00 175.10 175.06 3kip s LEU 49 N 1.19 4.34 0.09 3.92 1.43 0.08 -4.70 118.68 125.03 3kip s LEU 49 Ca 0.02 0.45 0.05 0.00 -1.03 0.00 0.00 54.13 53.62 3kip s LEU 49 Cb -0.14 -2.91 -0.04 0.00 0.03 0.00 0.00 46.19 43.13 3kip s LEU 49 CO -0.07 0.18 -0.02 0.68 0.23 0.00 0.00 176.35 177.34 3kip s VAL 50 N -1.46 3.87 -0.03 -1.59 -7.23 -1.26 -0.38 120.40 112.32 3kip s VAL 50 Ca 0.33 -1.03 -0.19 0.00 -1.81 0.00 0.00 61.98 59.28 3kip s VAL 50 Cb -0.13 -2.83 0.04 0.00 0.56 0.00 0.00 36.38 34.02 3kip s VAL 50 CO 0.22 0.13 0.41 0.12 -0.31 0.00 0.00 175.10 175.68 3kip s PHE 51 N -1.28 -0.33 -0.03 2.82 5.36 -0.04 -4.93 117.98 119.56 3kip s PHE 51 Ca 0.24 0.56 -0.14 0.00 -0.96 0.00 0.00 56.93 56.63 3kip s PHE 51 Cb -0.12 0.18 0.02 0.00 -0.34 0.00 0.00 43.02 42.77 3kip s PHE 51 CO 0.17 -0.43 0.30 -1.14 -1.46 0.00 0.00 175.22 172.65 3kip s GLN 52 N -1.17 0.60 -0.13 10.12 -0.44 -1.26 -0.07 119.66 127.32 3kip s GLN 52 Ca -0.12 -0.09 -0.30 0.00 -2.50 0.00 0.00 55.36 52.35 3kip s GLN 52 Cb -0.04 0.27 0.10 0.00 -1.64 0.00 0.00 33.01 31.70 3kip s GLN 52 CO 0.05 -0.15 0.85 0.45 0.50 0.00 0.00 175.29 176.99 3kip s SER 53 N -1.05 -0.51 -0.02 6.67 0.15 -1.07 -4.96 113.70 112.91 3kip s SER 53 Ca -0.11 0.61 0.14 0.00 0.70 0.00 0.00 55.95 57.29 3kip s SER 53 Cb -0.05 0.49 -0.20 0.00 -1.71 0.00 0.00 66.02 64.55 3kip s SER 53 CO 0.03 -0.44 0.68 0.59 1.20 0.00 0.00 173.24 175.31 3kip n ASN 54 N 0.97 0.82 -4.63 5.45 3.02 -1.26 -2.16 115.26 117.47 3kip n ASN 54 Ca -0.14 0.38 -0.43 0.00 -0.03 0.00 0.00 54.58 54.36 3kip n ASN 54 Cb 0.57 0.09 -0.02 0.00 -0.61 0.00 0.00 39.78 39.81 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 -2.71 4.49 0.15 3.41 2.01 -1.26 -4.47 115.64 117.26 3kip s THR 55 Ca -0.04 1.67 -0.28 0.00 0.31 0.00 0.00 61.69 63.35 3kip s THR 55 Cb 0.08 -4.42 -0.05 0.00 0.01 0.00 0.00 72.50 68.12 3kip s THR 55 CO 0.82 -0.52 1.43 1.21 -0.69 0.00 0.00 174.62 176.87 3kip n GLU 56 N 6.93 -0.40 -0.25 4.92 2.13 -1.26 -2.03 120.64 130.68 3kip n GLU 56 Ca 0.12 1.40 0.03 0.00 0.66 0.00 0.00 57.16 59.37 3kip n GLU 56 Cb 0.47 -2.06 0.16 0.00 0.27 0.00 0.00 31.44 30.28 3kip n GLU 56 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 3kip h GLY 57 N 0.00 1.11 0.98 8.31 0.00 -1.99 -0.67 103.07 110.80 3kip h GLY 57 Ca 0.16 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 3kip h GLY 57 CO -0.87 -0.01 0.25 0.74 0.00 0.00 0.00 176.54 176.65 3kip h PHE 58 N 0.53 0.62 -0.81 5.60 0.04 -1.90 0.43 116.94 121.45 3kip h PHE 58 Ca 0.38 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 61.17 3kip h PHE 58 Cb 0.49 -0.20 -0.05 0.00 2.20 0.00 0.00 35.95 38.39 3kip h PHE 58 CO -0.13 0.46 0.52 0.82 -0.60 0.00 0.00 178.31 179.38 3kip h ILE 59 N 0.60 1.13 0.11 -0.55 2.04 -0.77 -0.63 117.51 119.44 3kip h ILE 59 Ca 0.16 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3kip h ILE 59 Cb 0.04 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.14 3kip h ILE 59 CO -0.03 0.19 -0.09 0.40 0.00 0.00 0.00 178.15 178.61 3kip h ILE 60 N 1.02 0.79 -0.89 -0.67 2.04 -0.37 -0.99 117.51 118.44 3kip h ILE 60 Ca 0.32 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.41 3kip h ILE 60 Cb 0.01 0.79 -0.12 0.00 -0.74 0.00 0.00 36.82 36.75 3kip h ILE 60 CO -0.11 0.00 0.39 0.44 0.00 0.00 0.00 178.15 178.87 3kip h ASP 61 N -0.22 0.32 0.25 1.72 3.32 0.09 -1.41 116.42 120.49 3kip h ASP 61 Ca -0.00 0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 3kip h ASP 61 Cb 0.20 0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3kip h ASP 61 CO -0.02 -0.00 -0.12 -0.09 -1.72 0.00 0.00 179.24 177.29 3kip h ARG 62 N 0.40 -0.32 -1.02 3.56 9.65 -0.56 -2.27 114.38 123.82 3kip h ARG 62 Ca 0.56 0.02 0.26 0.00 -1.10 0.00 0.00 59.98 59.72 3kip h ARG 62 Cb 1.06 0.07 -0.12 0.00 -1.39 0.00 0.00 29.97 29.60 3kip h ARG 62 CO -0.53 0.02 0.62 0.82 2.80 0.00 0.00 179.97 183.70 3kip h ILE 63 N -0.73 0.51 -0.17 1.20 2.04 -0.59 0.14 117.51 119.92 3kip h ILE 63 Ca -0.03 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 3kip h ILE 63 Cb 0.49 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 3kip h ILE 63 CO 0.06 0.09 0.11 0.45 0.00 0.00 0.00 178.15 178.86 3kip h HIS 64 N 0.51 0.23 -0.74 1.37 3.86 -0.88 -2.53 115.15 116.97 3kip h HIS 64 Ca 0.64 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.91 3kip h HIS 64 Cb 1.36 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 29.71 3kip h HIS 64 CO -0.01 0.17 0.48 1.49 0.86 0.00 0.00 177.93 180.93 3kip h GLU 65 N 0.21 0.78 -0.52 2.45 4.57 -0.61 -2.51 114.58 118.96 3kip h GLU 65 Ca 0.06 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3kip h GLU 65 Cb 0.01 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.40 3kip h GLU 65 CO -0.01 0.52 0.32 0.00 -1.18 0.00 0.00 179.01 178.65 3kip h ALA 66 N 1.59 0.66 -0.50 2.92 0.00 -0.34 -0.80 119.26 122.80 3kip h ALA 66 Ca 0.31 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3kip h ALA 66 Cb 0.20 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3kip h ALA 66 CO -0.10 0.14 0.32 0.87 0.00 0.00 0.00 179.25 180.48 3kip h LYS 67 N 0.70 0.66 -0.21 0.00 1.57 -1.29 -0.78 116.57 117.22 3kip h LYS 67 Ca 0.19 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.98 3kip h LYS 67 Cb -0.02 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 3kip h LYS 67 CO -0.04 0.45 0.19 -0.09 -0.57 0.00 0.00 179.45 179.40 3kip h ARG 68 N 0.67 0.00 -0.05 3.15 2.43 -1.13 -0.85 114.38 118.59 3kip h ARG 68 Ca 0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3kip h ARG 68 Cb -0.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3kip h ARG 68 CO -0.04 0.00 0.00 1.04 -1.51 0.00 0.00 179.97 179.46 3kip n GLN 69 N -4.07 1.96 -1.05 0.20 6.02 -0.39 -4.95 117.38 115.11 3kip n GLN 69 Ca 0.02 -1.41 -0.02 0.00 -0.01 0.00 0.00 57.00 55.59 3kip n GLN 69 Cb 0.33 -1.47 -0.01 0.00 1.02 0.00 0.00 30.24 30.11 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 1.26 0.52 3.72 1.08 0.00 -0.33 -4.98 105.19 106.46 3kip n GLY 70 Ca 0.17 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.97 2.58 -1.34 1.61 1.01 -0.35 -4.72 120.40 117.22 3kip s VAL 71 Ca 0.00 0.42 0.18 0.00 0.00 0.00 0.00 61.98 62.58 3kip s VAL 71 Cb 0.00 -3.27 -0.07 0.00 0.00 0.00 0.00 36.38 33.04 3kip s VAL 71 CO 0.00 0.03 0.85 0.61 0.00 0.00 0.00 175.10 176.60 3kip n GLY 72 N 3.73 -0.23 3.39 4.51 0.00 -0.18 -4.69 105.19 111.72 3kip n GLY 72 Ca 0.14 -0.51 -0.16 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.27 -0.44 -0.08 1.61 2.19 -1.20 -4.39 117.98 113.39 3kip s PHE 73 Ca 0.12 0.76 0.02 0.00 0.33 0.00 0.00 56.93 58.16 3kip s PHE 73 Cb 0.14 0.26 0.01 0.00 -1.31 0.00 0.00 43.02 42.12 3kip s PHE 73 CO 0.55 -0.49 -0.14 0.08 1.83 0.00 0.00 175.22 177.05 3kip s VAL 74 N -1.15 1.30 -0.34 3.12 1.01 -0.52 -1.64 120.40 122.17 3kip s VAL 74 Ca -0.11 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.20 3kip s VAL 74 Cb -0.03 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.16 3kip s VAL 74 CO 0.07 0.40 0.20 -0.69 0.00 0.00 0.00 175.10 175.07 3kip s VAL 75 N 0.83 4.81 -0.09 2.92 1.01 0.61 -1.24 120.40 129.25 3kip s VAL 75 Ca -0.11 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.39 3kip s VAL 75 Cb -0.15 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.71 3kip s VAL 75 CO 0.01 -0.06 -0.15 -0.51 0.00 0.00 0.00 175.10 174.40 3kip s ILE 76 N 1.63 1.41 -0.49 2.22 2.07 -0.30 -0.83 121.20 126.91 3kip s ILE 76 Ca 0.04 -0.61 -0.04 0.00 -1.41 0.00 0.00 60.65 58.63 3kip s ILE 76 Cb -0.18 -1.28 0.13 0.00 0.13 0.00 0.00 42.46 41.26 3kip s ILE 76 CO 0.08 0.42 0.30 0.21 -1.91 0.00 0.00 174.94 174.04 3kip s ASN 77 N 0.78 5.33 0.00 4.50 3.84 0.13 -0.32 114.94 129.20 3kip s ASN 77 Ca -0.11 -2.27 0.27 0.00 0.21 0.00 0.00 52.86 50.95 3kip s ASN 77 Cb -0.16 -1.86 1.54 0.00 -0.55 0.00 0.00 41.25 40.22 3kip s ASN 77 CO 0.02 -0.51 1.94 0.00 -2.79 0.00 0.00 177.10 175.76 3kip n ALA 78 N 4.29 2.46 -0.48 1.71 0.00 -1.26 0.07 120.51 127.30 3kip n ALA 78 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3kip n ALA 78 Cb 0.40 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 0.74 2.06 0.33 0.00 0.00 -1.26 -1.76 105.19 105.30 3kip n GLY 79 Ca 0.18 -0.33 0.23 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.48 1.90 0.00 4.61 0.00 -1.94 -0.37 119.26 122.97 3kip h ALA 80 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3kip h ALA 80 Cb 0.00 0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3kip h ALA 80 CO 0.00 -0.60 0.00 1.88 0.00 0.00 0.00 179.25 180.53 3kip h TYR 81 N 0.28 0.00 -0.27 0.00 0.05 -1.73 -0.88 116.97 114.43 3kip h TYR 81 Ca 0.73 0.00 0.08 0.00 0.05 0.00 0.00 58.73 59.59 3kip h TYR 81 Cb 1.67 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.40 3kip h TYR 81 CO -0.04 0.00 0.24 1.15 -1.05 0.00 0.00 178.16 178.47 3kip h THR 82 N 0.00 0.59 0.00 -2.88 2.02 -1.15 0.97 112.91 112.46 3kip h THR 82 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3kip h THR 82 Cb 0.01 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 3kip h THR 82 CO 0.00 0.00 -1.03 1.41 0.37 0.00 0.00 175.52 176.27 3kip n HIS 83 N -4.03 0.00 0.00 3.16 8.25 -0.33 -0.18 115.22 122.08 3kip n HIS 83 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 3kip n HIS 83 Cb 0.39 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.39 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 -1.57 0.00 -3.33 1.59 -2.24 -1.05 -4.74 114.28 102.94 3kip n THR 84 Ca 0.01 -0.22 -0.45 0.00 -2.27 0.00 0.00 64.05 61.12 3kip n THR 84 Cb 0.28 0.81 -0.06 0.00 -2.10 0.00 0.00 70.33 69.26 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 -0.78 6.17 0.27 3.42 0.15 0.31 -4.82 113.70 118.42 3kip s SER 85 Ca 0.00 -1.57 0.21 0.00 0.70 0.00 0.00 55.95 55.29 3kip s SER 85 Cb 0.00 -2.20 0.10 0.00 -1.71 0.00 0.00 66.02 62.20 3kip s SER 85 CO 0.00 -0.78 1.23 0.58 1.20 0.00 0.00 173.24 175.48 3kip h VAL 86 N 5.83 0.14 -0.33 4.45 2.07 -1.95 -3.23 116.25 123.23 3kip h VAL 86 Ca -0.29 -1.23 -0.03 0.00 0.82 0.00 0.00 66.70 65.97 3kip h VAL 86 Cb 1.10 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 3kip h VAL 86 CO 0.97 0.08 0.08 1.23 0.02 0.00 0.00 177.57 179.96 3kip h GLY 87 N 3.92 0.57 1.32 2.17 0.00 -1.97 -1.36 103.07 107.72 3kip h GLY 87 Ca -0.02 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 3kip h GLY 87 CO 0.01 0.33 0.18 -2.22 0.00 0.00 0.00 176.54 174.83 3kip h ILE 88 N 0.38 1.22 -0.29 2.60 2.04 -1.92 -0.44 117.51 121.10 3kip h ILE 88 Ca 0.10 -0.76 0.01 0.00 1.00 0.00 0.00 64.86 65.21 3kip h ILE 88 Cb 0.29 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 3kip h ILE 88 CO 0.00 0.29 0.18 -0.09 0.00 0.00 0.00 178.15 178.53 3kip h ARG 89 N 0.84 0.36 0.00 2.37 2.43 -1.41 -1.23 114.38 117.74 3kip h ARG 89 Ca 0.19 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.25 3kip h ARG 89 Cb 0.25 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3kip h ARG 89 CO -0.01 0.24 -0.40 -0.44 -1.51 0.00 0.00 179.97 177.85 3kip h ASP 90 N 0.37 0.00 0.02 -3.80 5.19 -1.13 -0.86 116.42 116.22 3kip h ASP 90 Ca 0.11 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.52 3kip h ASP 90 Cb -0.02 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.49 3kip h ASP 90 CO -0.04 0.40 -0.01 0.00 -3.12 0.00 0.00 179.24 176.47 3kip h ALA 91 N 1.60 -0.03 -0.60 3.45 0.00 -0.39 0.19 119.26 123.48 3kip h ALA 91 Ca -0.00 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.76 3kip h ALA 91 Cb 0.87 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 3kip h ALA 91 CO 0.05 -0.33 0.32 -0.07 0.00 0.00 0.00 179.25 179.23 3kip h LEU 92 N -0.42 0.48 -0.47 0.00 3.38 -0.95 0.35 115.31 117.69 3kip h LEU 92 Ca -0.00 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 3kip h LEU 92 Cb 0.40 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3kip h LEU 92 CO 0.01 0.32 -0.12 -0.07 0.09 0.00 0.00 178.44 178.67 3kip h LEU 93 N 0.62 0.92 -0.89 1.67 3.38 -1.19 -0.29 115.31 119.52 3kip h LEU 93 Ca 0.26 -0.36 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 3kip h LEU 93 Cb 0.14 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3kip h LEU 93 CO -0.16 1.07 -0.43 1.23 0.09 0.00 0.00 178.44 180.23 3kip h GLY 94 N 0.75 0.29 1.02 0.83 0.00 0.08 -2.56 103.07 103.48 3kip h GLY 94 Ca 0.12 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3kip h GLY 94 CO 0.05 0.26 -0.93 -0.91 0.00 0.00 0.00 176.54 175.00 3kip h THR 95 N 0.22 0.00 -2.95 4.70 1.35 -0.96 -3.49 112.91 111.78 3kip h THR 95 Ca 0.02 -0.91 -0.20 0.00 -0.55 0.00 0.00 66.41 64.76 3kip h THR 95 Cb 0.86 1.42 0.05 0.00 -1.73 0.00 0.00 68.15 68.75 3kip h THR 95 CO 0.07 0.00 -0.32 0.00 -0.25 0.00 0.00 175.52 175.02 3kip n ALA 96 N -2.12 -0.57 -2.55 6.62 0.00 -0.15 -4.99 120.51 116.75 3kip n ALA 96 Ca 0.01 0.18 -0.40 0.00 0.00 0.00 0.00 53.44 53.22 3kip n ALA 96 Cb 0.53 -2.62 -0.09 0.00 0.00 0.00 0.00 19.45 17.27 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 -3.00 5.18 0.53 0.00 1.01 -1.05 -5.04 121.20 118.83 3kip s ILE 97 Ca 0.22 0.07 -0.22 0.00 0.00 0.00 0.00 60.65 60.73 3kip s ILE 97 Cb -0.10 -3.80 -0.06 0.00 0.01 0.00 0.00 42.46 38.51 3kip s ILE 97 CO 0.28 -0.06 1.17 -0.81 0.00 0.00 0.00 174.94 175.51 3kip n PRO 98 N 5.35 1.42 -3.79 2.79 -0.04 -1.26 -4.74 135.00 134.74 3kip n PRO 98 Ca -0.09 0.52 -0.10 0.00 -0.04 0.00 0.00 63.50 63.79 3kip n PRO 98 Cb 0.50 -2.33 -0.07 0.00 -0.04 0.00 0.00 33.50 31.56 3kip n PRO 98 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3kip s PHE 99 N -1.34 0.03 -0.03 0.54 -0.71 -1.26 -1.44 117.98 113.77 3kip s PHE 99 Ca 0.70 -0.39 0.05 0.00 -1.04 0.00 0.00 56.93 56.25 3kip s PHE 99 Cb -0.45 0.04 -0.01 0.00 -1.21 0.00 0.00 43.02 41.39 3kip s PHE 99 CO 0.51 -0.57 -0.19 0.42 -1.34 0.00 0.00 175.22 174.05 3kip s ILE 100 N -3.65 1.51 -0.21 -4.49 1.01 -0.37 -0.32 121.20 114.68 3kip s ILE 100 Ca 0.03 -0.79 -0.16 0.00 0.00 0.00 0.00 60.65 59.73 3kip s ILE 100 Cb 0.03 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 3kip s ILE 100 CO -0.10 0.43 0.40 -0.70 0.00 0.00 0.00 174.94 174.96 3kip s GLU 101 N -0.22 4.15 -0.05 2.79 2.12 -0.86 -1.15 118.70 125.48 3kip s GLU 101 Ca 0.02 0.18 0.02 0.00 0.36 0.00 0.00 54.97 55.55 3kip s GLU 101 Cb -0.10 -3.55 -0.03 0.00 0.26 0.00 0.00 34.13 30.71 3kip s GLU 101 CO 0.01 -0.07 -0.09 0.08 -0.54 0.00 0.00 175.26 174.65 3kip s VAL 102 N 1.42 3.54 -0.15 3.70 1.01 0.56 -1.00 120.40 129.48 3kip s VAL 102 Ca 0.18 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.58 3kip s VAL 102 Cb -0.15 -2.45 0.02 0.00 0.00 0.00 0.00 36.38 33.80 3kip s VAL 102 CO 0.08 0.55 -0.17 -1.00 0.00 0.00 0.00 175.10 174.57 3kip s HIS 103 N -0.83 2.33 0.19 5.22 3.76 -0.09 -4.31 115.29 121.56 3kip s HIS 103 Ca 0.13 -1.27 -0.14 0.00 -0.15 0.00 0.00 55.06 53.62 3kip s HIS 103 Cb -0.11 -1.66 0.18 0.00 1.11 0.00 0.00 32.58 32.10 3kip s HIS 103 CO 0.02 -0.66 1.66 0.82 -0.85 0.00 0.00 174.74 175.74 3kip h ILE 104 N 5.98 0.54 -1.31 0.60 2.04 -1.86 -0.06 117.51 123.44 3kip h ILE 104 Ca -0.38 -0.02 -0.45 0.00 1.00 0.00 0.00 64.86 65.02 3kip h ILE 104 Cb 1.15 0.48 0.01 0.00 -0.74 0.00 0.00 36.82 37.73 3kip h ILE 104 CO 0.55 0.01 -0.25 0.42 0.00 0.00 0.00 178.15 178.88 3kip s THR 105 N -6.20 2.75 -0.65 -0.27 -4.23 -1.26 -2.08 115.64 103.70 3kip s THR 105 Ca -0.14 -1.07 -0.23 0.00 -1.18 0.00 0.00 61.69 59.08 3kip s THR 105 Cb 0.17 -2.82 0.07 0.00 1.34 0.00 0.00 72.50 71.26 3kip s THR 105 CO 0.72 0.00 0.97 0.21 -0.54 0.00 0.00 174.62 175.99 3kip s ASN 106 N -4.37 6.19 0.55 3.99 3.04 -1.26 -2.69 114.94 120.39 3kip s ASN 106 Ca 0.55 -0.90 0.25 0.00 0.04 0.00 0.00 52.86 52.80 3kip s ASN 106 Cb -0.08 -2.43 1.47 0.00 -1.54 0.00 0.00 41.25 38.68 3kip s ASN 106 CO 0.33 -1.43 2.05 -0.37 -3.04 0.00 0.00 177.10 174.63 3kip h VAL 107 N 5.98 0.66 0.00 -5.21 -1.51 -1.92 0.63 116.25 114.88 3kip h VAL 107 Ca -0.28 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.17 3kip h VAL 107 Cb 1.07 0.80 -0.00 0.00 -2.13 0.00 0.00 31.29 31.03 3kip h VAL 107 CO 1.17 0.00 -0.08 0.45 -1.23 0.00 0.00 177.57 177.89 3kip h HIS 108 N 0.00 0.00 0.00 5.19 3.86 -1.90 -1.14 115.15 121.17 3kip h HIS 108 Ca 0.15 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 3kip h HIS 108 Cb 0.69 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.16 3kip h HIS 108 CO 0.00 0.08 0.00 1.04 0.86 0.00 0.00 177.93 179.91 3kip n GLN 109 N -3.28 0.36 -1.00 2.45 6.02 0.21 -4.90 117.38 117.24 3kip n GLN 109 Ca -0.01 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 3kip n GLN 109 Cb 0.28 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.04 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 -1.30 2.07 -1.65 -1.09 1.74 -0.43 -5.07 116.66 110.93 3kip n ARG 110 Ca 0.12 0.00 -0.45 0.00 -0.77 0.00 0.00 57.85 56.75 3kip n ARG 110 Cb 0.22 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.63 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 -0.38 1.87 0.17 5.56 4.71 -1.26 -4.84 120.64 126.47 3kip n GLU 111 Ca 0.00 0.66 0.19 0.00 -0.01 0.00 0.00 57.16 58.00 3kip n GLU 111 Cb 0.00 -2.26 0.80 0.00 -1.01 0.00 0.00 31.44 28.96 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 3.70 0.00 0.00 3.49 0.11 -1.94 0.87 132.00 138.23 3kip h PRO 112 Ca -0.44 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 3kip h PRO 112 Cb 1.29 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 3kip h PRO 112 CO 0.72 0.00 -0.08 0.27 -0.21 0.00 0.00 178.00 178.70 3kip h PHE 113 N 0.00 0.00 -0.00 0.65 -5.15 -1.97 -2.18 116.94 108.29 3kip h PHE 113 Ca 0.13 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.90 3kip h PHE 113 Cb 0.77 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.94 3kip h PHE 113 CO 0.00 0.08 -0.03 0.54 -2.00 0.00 0.00 178.31 176.90 3kip n ARG 114 N -3.57 0.21 0.18 6.09 1.74 0.30 -2.83 116.66 118.78 3kip n ARG 114 Ca -0.02 -0.02 0.05 0.00 -0.77 0.00 0.00 57.85 57.09 3kip n ARG 114 Cb 0.20 -1.50 0.26 0.00 -1.02 0.00 0.00 32.46 30.41 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 0.04 0.00 -3.43 -1.55 3.86 -1.47 -3.44 115.15 109.16 3kip h HIS 115 Ca 0.00 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.68 3kip h HIS 115 Cb 0.41 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 3kip h HIS 115 CO 0.00 0.41 0.43 -0.65 0.86 0.00 0.00 177.93 178.99 3kip s GLN 116 N -3.45 4.57 -0.00 2.45 -1.52 -1.13 -5.06 119.66 115.53 3kip s GLN 116 Ca 0.01 1.57 0.04 0.00 -1.95 0.00 0.00 55.36 55.02 3kip s GLN 116 Cb 0.10 -3.38 -0.01 0.00 -0.22 0.00 0.00 33.01 29.51 3kip s GLN 116 CO 0.70 -0.00 -0.12 0.45 -0.25 0.00 0.00 175.29 176.07 3kip s SER 117 N 0.53 1.37 0.00 5.90 0.15 -1.26 -4.45 113.70 115.94 3kip s SER 117 Ca 0.52 -0.24 0.28 0.00 0.70 0.00 0.00 55.95 57.21 3kip s SER 117 Cb -0.25 -0.14 1.11 0.00 -1.71 0.00 0.00 66.02 65.02 3kip s SER 117 CO 0.30 0.12 1.79 -1.22 1.20 0.00 0.00 173.24 175.43 3kip n TYR 118 N 2.67 0.00 -0.07 3.44 4.01 0.74 -4.29 117.16 123.66 3kip n TYR 118 Ca -0.14 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.39 3kip n TYR 118 Cb 0.56 -0.18 -0.13 0.00 -0.31 0.00 0.00 39.34 39.29 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 -0.90 2.74 -0.13 7.72 4.77 -1.26 -4.75 117.00 125.18 3kip n LEU 119 Ca 0.14 0.05 -0.04 0.00 -0.03 0.00 0.00 56.01 56.13 3kip n LEU 119 Cb 0.30 -0.99 0.04 0.00 -2.33 0.00 0.00 43.42 40.43 3kip n LEU 119 CO 0.24 0.86 0.87 0.28 -1.33 0.00 0.00 177.39 178.31 3kip h SER 120 N -0.07 -0.12 0.42 -1.43 0.02 -1.94 0.97 113.55 111.40 3kip h SER 120 Ca -0.52 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 3kip h SER 120 Cb 1.91 0.15 0.00 0.00 0.14 0.00 0.00 62.40 64.61 3kip h SER 120 CO -0.04 -0.02 0.00 -2.24 -1.14 0.00 0.00 176.83 173.38 3kip h ASP 121 N 0.14 0.00 0.00 3.07 2.03 -1.85 -2.33 116.42 117.48 3kip h ASP 121 Ca 0.21 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.51 3kip h ASP 121 Cb 0.29 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.79 3kip h ASP 121 CO -0.33 0.00 -0.95 0.29 -1.03 0.00 0.00 179.24 177.23 3kip n LYS 122 N -2.33 2.08 -0.98 4.15 4.76 -0.72 -5.01 118.16 120.12 3kip n LYS 122 Ca 0.00 -0.04 -0.33 0.00 -2.87 0.00 0.00 58.31 55.07 3kip n LYS 122 Cb 0.15 -1.12 0.14 0.00 -1.84 0.00 0.00 35.03 32.36 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 -2.35 1.71 0.02 7.82 0.00 0.26 -4.82 121.76 124.40 3kip s ALA 123 Ca 0.01 0.76 -0.19 0.00 0.00 0.00 0.00 51.96 52.53 3kip s ALA 123 Cb 0.08 -3.48 -0.19 0.00 0.00 0.00 0.00 23.12 19.53 3kip s ALA 123 CO 0.45 -2.45 1.19 0.28 0.00 0.00 0.00 175.76 175.23 3kip h VAL 124 N -1.23 1.40 -3.85 0.00 2.07 -0.98 -3.47 116.25 110.19 3kip h VAL 124 Ca -0.45 -1.81 -0.10 0.00 0.82 0.00 0.00 66.70 65.15 3kip h VAL 124 Cb 1.29 2.31 -0.15 0.00 -1.52 0.00 0.00 31.29 33.21 3kip h VAL 124 CO 0.45 0.53 -0.46 0.00 0.02 0.00 0.00 177.57 178.10 3kip s ALA 125 N -3.60 -0.07 -0.12 1.67 0.00 -1.25 -5.07 121.76 113.32 3kip s ALA 125 Ca -0.13 -0.67 0.03 0.00 0.00 0.00 0.00 51.96 51.19 3kip s ALA 125 Cb 0.04 0.37 0.01 0.00 0.00 0.00 0.00 23.12 23.54 3kip s ALA 125 CO 0.80 -0.42 -0.20 0.08 0.00 0.00 0.00 175.76 176.02 3kip s VAL 126 N -3.42 1.84 -0.22 0.00 1.01 -1.26 -2.03 120.40 116.32 3kip s VAL 126 Ca 0.02 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.10 3kip s VAL 126 Cb 0.03 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 3kip s VAL 126 CO -0.08 0.51 -0.05 -0.63 0.00 0.00 0.00 175.10 174.85 3kip s ILE 127 N 0.74 3.32 -0.04 2.22 1.01 -0.17 -4.99 121.20 123.28 3kip s ILE 127 Ca -0.10 -0.52 -0.01 0.00 0.00 0.00 0.00 60.65 60.02 3kip s ILE 127 Cb -0.16 -2.51 0.03 0.00 0.01 0.00 0.00 42.46 39.83 3kip s ILE 127 CO 0.01 0.42 0.02 0.00 0.00 0.00 0.00 174.94 175.39 3kip n GLY 129 N 4.72 0.76 0.33 0.00 0.00 -0.04 -4.62 105.19 106.35 3kip n GLY 129 Ca -0.15 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.91 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 0.96 0.00 0.99 7.94 -1.25 -4.72 117.00 120.92 3kip n LEU 130 Ca 0.00 -0.47 0.00 0.00 -1.11 0.00 0.00 56.01 54.43 3kip n LEU 130 Cb 0.00 -0.11 0.00 0.00 0.53 0.00 0.00 43.42 43.84 3kip n LEU 130 CO 0.00 0.23 0.00 0.61 -1.11 0.00 0.00 177.39 177.12 3kip n GLY 131 N 0.83 0.20 0.20 -3.96 0.00 -0.88 -2.93 105.19 98.64 3kip n GLY 131 Ca 0.08 -0.90 0.05 0.00 0.00 0.00 0.00 46.02 45.25 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 1.02 -0.26 1.61 -1.51 -1.95 -2.13 116.25 113.02 3kip h VAL 132 Ca 0.00 -1.19 0.07 0.00 -1.23 0.00 0.00 66.70 64.35 3kip h VAL 132 Cb 0.00 1.68 -0.01 0.00 -2.13 0.00 0.00 31.29 30.83 3kip h VAL 132 CO 0.00 0.32 0.19 0.22 -1.23 0.00 0.00 177.57 177.07 3kip h TYR 133 N 0.00 0.00 -0.99 5.19 3.20 -1.97 0.42 116.97 122.81 3kip h TYR 133 Ca -0.00 0.00 0.23 0.00 3.14 0.00 0.00 58.73 62.10 3kip h TYR 133 Cb 0.66 0.00 -0.19 0.00 1.54 0.00 0.00 36.73 38.74 3kip h TYR 133 CO 0.00 0.00 -0.12 0.78 -1.64 0.00 0.00 178.16 177.18 3kip h GLY 134 N 0.00 0.97 0.99 1.82 0.00 -1.26 0.39 103.07 105.98 3kip h GLY 134 Ca 0.12 0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.70 3kip h GLY 134 CO -0.00 -0.44 0.31 -0.97 0.00 0.00 0.00 176.54 175.43 3kip h TYR 135 N 0.00 0.65 -0.35 5.60 0.05 -1.08 -2.76 116.97 119.07 3kip h TYR 135 Ca 0.54 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.31 3kip h TYR 135 Cb 0.97 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 38.48 3kip h TYR 135 CO -0.64 0.44 0.20 1.15 -1.05 0.00 0.00 178.16 178.26 3kip h THR 136 N 0.67 1.13 -0.86 -2.88 2.02 -0.34 -0.99 112.91 111.66 3kip h THR 136 Ca 0.18 -0.32 0.07 0.00 0.77 0.00 0.00 66.41 67.12 3kip h THR 136 Cb -0.03 0.70 -0.07 0.00 -1.74 0.00 0.00 68.15 67.02 3kip h THR 136 CO -0.04 0.13 0.53 0.00 0.37 0.00 0.00 175.52 176.51 3kip h ALA 137 N 1.07 1.20 -0.29 6.16 0.00 -0.99 0.11 119.26 126.52 3kip h ALA 137 Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 3kip h ALA 137 Cb 0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3kip h ALA 137 CO -0.02 0.23 -0.42 0.00 0.00 0.00 0.00 179.25 179.04 3kip h ALA 138 N 1.43 0.71 -0.17 0.00 0.00 -1.11 -1.37 119.26 118.74 3kip h ALA 138 Ca 0.39 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3kip h ALA 138 Cb 0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3kip h ALA 138 CO -0.20 0.67 -0.02 0.82 0.00 0.00 0.00 179.25 180.52 3kip h ILE 139 N 0.59 1.27 -0.80 0.00 2.04 -0.50 0.95 117.51 121.06 3kip h ILE 139 Ca 0.04 -0.94 0.19 0.00 1.00 0.00 0.00 64.86 65.15 3kip h ILE 139 Cb 0.97 1.55 -0.12 0.00 -0.74 0.00 0.00 36.82 38.47 3kip h ILE 139 CO 0.09 0.28 0.24 -0.33 0.00 0.00 0.00 178.15 178.43 3kip h GLU 140 N 0.04 0.29 0.05 2.37 4.39 -0.55 0.36 114.58 121.53 3kip h GLU 140 Ca 0.05 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 3kip h GLU 140 Cb 0.43 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 3kip h GLU 140 CO 0.01 0.19 -0.03 -0.92 -1.16 0.00 0.00 179.01 177.11 3kip h TYR 141 N 0.30 -0.07 -0.78 4.33 5.03 -1.06 -3.02 116.97 121.71 3kip h TYR 141 Ca 0.47 -0.00 0.10 0.00 2.58 0.00 0.00 58.73 61.88 3kip h TYR 141 Cb 0.85 0.02 -0.12 0.00 1.55 0.00 0.00 36.73 39.04 3kip h TYR 141 CO -0.23 0.25 -0.49 0.00 -1.32 0.00 0.00 178.16 176.37 3kip h ALA 142 N 0.53 -0.37 0.00 1.82 0.00 0.02 -0.73 119.26 120.53 3kip h ALA 142 Ca -0.01 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3kip h ALA 142 Cb 0.35 1.13 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3kip h ALA 142 CO 0.01 -0.87 0.00 1.28 0.00 0.00 0.00 179.25 179.68 3kip n LEU 143 N -5.36 0.00 0.00 0.00 4.77 0.04 -1.50 117.00 114.95 3kip n LEU 143 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 3kip n LEU 143 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 3kip n LEU 143 CO -0.08 0.00 0.32 0.59 -1.33 0.00 0.00 177.39 176.88 3kip n ASN 144 N -0.81 1.26 -4.81 -1.43 4.13 -0.30 -4.66 115.26 108.64 3kip n ASN 144 Ca 0.07 -1.29 -0.34 0.00 1.68 0.00 0.00 54.58 54.70 3kip n ASN 144 Cb 0.03 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.21 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 -0.29 3.30 -2.92 3.10 5.04 -0.56 -4.88 117.35 120.14 3kip s TYR 145 Ca 0.00 1.62 0.25 0.00 -2.44 0.00 0.00 57.07 56.50 3kip s TYR 145 Cb 0.00 -2.90 0.33 0.00 0.35 0.00 0.00 41.96 39.74 3kip s TYR 145 CO 0.00 -0.21 1.34 0.94 -1.34 0.00 0.00 175.55 176.28