#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 2.44 0.00 4.08 1.01 -0.37 -4.96 120.40 122.60 3kip s VAL 1 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.25 3kip s VAL 1 Cb 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.30 3kip s VAL 1 CO 0.00 -0.06 0.00 0.29 0.00 0.00 0.00 175.10 175.33 3kip n LYS 2 N -1.77 1.28 -3.70 2.72 4.76 -1.26 -4.74 118.16 115.45 3kip n LYS 2 Ca 0.14 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.20 3kip n LYS 2 Cb 0.49 -0.80 -0.11 0.00 -1.84 0.00 0.00 35.03 32.77 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 -1.61 2.45 -0.03 1.97 2.47 -1.26 -1.17 119.74 122.56 3kip s LYS 3 Ca 0.00 -1.48 -0.01 0.00 -1.56 0.00 0.00 55.97 52.92 3kip s LYS 3 Cb 0.00 -3.62 -0.04 0.00 -1.46 0.00 0.00 37.83 32.71 3kip s LYS 3 CO 0.00 -0.90 0.07 0.08 0.16 0.00 0.00 175.35 174.76 3kip s VAL 4 N 1.34 4.71 -0.16 4.02 1.01 -0.80 -1.36 120.40 129.15 3kip s VAL 4 Ca 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.67 3kip s VAL 4 Cb -0.22 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.05 3kip s VAL 4 CO 0.00 0.42 -0.16 -0.22 0.00 0.00 0.00 175.10 175.14 3kip s LEU 5 N -1.52 2.41 -0.22 3.92 2.96 -0.82 -0.76 118.68 124.66 3kip s LEU 5 Ca 0.20 -0.51 -0.18 0.00 -0.22 0.00 0.00 54.13 53.42 3kip s LEU 5 Cb -0.12 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 3kip s LEU 5 CO 0.11 0.06 0.51 -0.22 -1.32 0.00 0.00 176.35 175.49 3kip s LEU 6 N 0.96 4.12 -0.10 -0.68 2.96 0.15 -0.09 118.68 126.00 3kip s LEU 6 Ca -0.03 0.62 0.03 0.00 -0.22 0.00 0.00 54.13 54.53 3kip s LEU 6 Cb -0.15 -2.68 0.01 0.00 0.50 0.00 0.00 46.19 43.87 3kip s LEU 6 CO -0.03 -0.20 -0.19 -0.63 -1.32 0.00 0.00 176.35 173.98 3kip s ILE 7 N 1.81 1.71 -0.06 6.68 1.01 -0.14 -1.43 121.20 130.78 3kip s ILE 7 Ca 0.23 -0.80 0.05 0.00 0.00 0.00 0.00 60.65 60.13 3kip s ILE 7 Cb -0.15 -1.52 -0.02 0.00 0.01 0.00 0.00 42.46 40.78 3kip s ILE 7 CO 0.09 0.48 -0.20 0.20 0.00 0.00 0.00 174.94 175.51 3kip s ASN 8 N 0.64 3.48 0.05 3.58 -0.87 0.11 -0.74 114.94 121.18 3kip s ASN 8 Ca -0.13 -0.39 0.00 0.00 -1.57 0.00 0.00 52.86 50.77 3kip s ASN 8 Cb -0.16 -0.87 0.00 0.00 -0.02 0.00 0.00 41.25 40.20 3kip s ASN 8 CO 0.04 0.28 0.00 0.61 -2.57 0.00 0.00 177.10 175.45 3kip n GLY 9 N 2.76 0.14 3.73 0.66 0.00 0.10 -2.52 105.19 110.07 3kip n GLY 9 Ca -0.17 -1.78 -0.37 0.00 0.00 0.00 0.00 46.02 43.71 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 0.74 2.54 0.00 1.61 0.04 -0.97 -2.95 135.00 136.00 3kip s PRO 10 Ca 0.00 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.07 3kip s PRO 10 Cb 0.00 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.69 3kip s PRO 10 CO 0.00 -1.60 0.00 0.09 0.04 0.00 0.00 177.00 175.53 3kip n ASN 11 N -1.96 0.00 -0.09 6.66 3.02 -1.26 -4.55 115.26 117.08 3kip n ASN 11 Ca 0.16 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.72 3kip n ASN 11 Cb 0.48 -0.32 0.33 0.00 -0.61 0.00 0.00 39.78 39.66 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 0.64 -0.83 3.41 3.38 -1.90 0.38 115.31 120.40 3kip h LEU 12 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3kip h LEU 12 Cb 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3kip h LEU 12 CO 0.00 0.50 0.56 -0.55 0.09 0.00 0.00 178.44 179.04 3kip h ASN 13 N 0.74 0.00 -0.12 -0.43 -1.07 -1.86 -2.12 115.58 110.72 3kip h ASN 13 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.57 3kip h ASN 13 Cb -0.02 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.23 3kip h ASN 13 CO -0.04 0.00 0.00 0.18 0.07 0.00 0.00 177.43 177.64 3kip n LEU 14 N -2.34 2.09 -4.75 6.14 4.77 0.13 -4.63 117.00 118.42 3kip n LEU 14 Ca -0.01 -0.79 -0.40 0.00 -0.03 0.00 0.00 56.01 54.78 3kip n LEU 14 Cb 0.58 -0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 41.54 3kip n LEU 14 CO 0.06 0.40 0.62 -1.48 -1.33 0.00 0.00 177.39 175.65 3kip s LEU 15 N -1.78 4.60 -0.23 2.23 2.34 -0.80 -2.54 118.68 122.49 3kip s LEU 15 Ca 0.34 1.85 -0.00 0.00 0.06 0.00 0.00 54.13 56.38 3kip s LEU 15 Cb 0.20 -3.54 0.07 0.00 -0.56 0.00 0.00 46.19 42.35 3kip s LEU 15 CO 0.30 0.11 -0.01 -0.83 -1.06 0.00 0.00 176.35 174.87 3kip s GLY 16 N -0.87 1.12 -0.11 -3.48 0.00 -1.20 -2.82 107.32 99.96 3kip s GLY 16 Ca 0.41 -1.24 0.13 0.00 0.00 0.00 0.00 44.72 44.02 3kip s GLY 16 CO 0.30 1.14 0.10 2.41 0.00 0.00 0.00 173.10 177.06 3kip n THR 17 N 4.78 0.76 0.08 0.90 -1.04 -1.05 -4.68 114.28 114.02 3kip n THR 17 Ca -0.09 -0.53 -0.08 0.00 -2.04 0.00 0.00 64.05 61.30 3kip n THR 17 Cb 0.45 -0.48 -0.05 0.00 -1.82 0.00 0.00 70.33 68.42 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 -0.28 0.00 -2.82 2.43 -2.00 -3.53 114.38 108.18 3kip h ARG 18 Ca -0.30 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 58.84 3kip h ARG 18 Cb 1.62 0.06 -0.11 0.00 -0.42 0.00 0.00 29.97 31.12 3kip h ARG 18 CO 0.02 0.00 -0.55 0.98 -1.51 0.00 0.00 179.97 178.91 3kip n TYR 23 N -4.96 0.00 -4.12 2.20 9.36 -1.26 -5.14 117.16 113.24 3kip n TYR 23 Ca -0.06 -0.80 -0.23 0.00 3.32 0.00 0.00 57.90 60.13 3kip n TYR 23 Cb 0.21 -0.16 -0.06 0.00 -0.63 0.00 0.00 39.34 38.70 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 -2.34 1.87 0.00 2.98 0.00 -1.26 -5.00 107.32 103.57 3kip s GLY 24 Ca 0.28 -1.77 0.00 0.00 0.00 0.00 0.00 44.72 43.22 3kip s GLY 24 CO -0.06 -1.73 0.18 -1.30 0.00 0.00 0.00 173.10 170.19 3kip n THR 25 N -1.12 0.09 -2.82 0.90 -2.24 -1.26 -4.46 114.28 103.38 3kip n THR 25 Ca -0.04 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.32 3kip n THR 25 Cb 0.61 -0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.50 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 -0.42 4.82 0.35 4.28 2.01 -1.26 -4.70 115.64 120.71 3kip s THR 26 Ca 0.00 1.74 0.07 0.00 0.31 0.00 0.00 61.69 63.81 3kip s THR 26 Cb 0.00 -4.19 -0.01 0.00 0.01 0.00 0.00 72.50 68.32 3kip s THR 26 CO 0.00 -0.05 0.48 -0.94 -0.69 0.00 0.00 174.62 173.42 3kip s SER 27 N 1.21 5.92 0.19 3.53 1.04 -1.26 -3.25 113.70 121.07 3kip s SER 27 Ca 0.40 -0.23 -0.13 0.00 0.48 0.00 0.00 55.95 56.47 3kip s SER 27 Cb -0.16 -1.14 0.18 0.00 0.10 0.00 0.00 66.02 64.99 3kip s SER 27 CO 0.10 -0.48 1.75 0.25 0.98 0.00 0.00 173.24 175.84 3kip h LEU 28 N 0.86 0.18 -0.87 2.42 5.85 -1.77 -1.62 115.31 120.36 3kip h LEU 28 Ca -0.45 0.06 0.18 0.00 0.84 0.00 0.00 57.88 58.51 3kip h LEU 28 Cb 1.26 0.05 -0.11 0.00 0.37 0.00 0.00 40.66 42.23 3kip h LEU 28 CO 0.52 0.13 0.43 -1.28 -0.34 0.00 0.00 178.44 177.89 3kip h SER 29 N 0.35 0.46 -0.63 1.25 0.87 -1.92 -1.78 113.55 112.15 3kip h SER 29 Ca 0.24 0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.89 3kip h SER 29 Cb 0.26 0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 3kip h SER 29 CO -0.25 0.13 0.29 0.44 -0.53 0.00 0.00 176.83 176.91 3kip h ASP 30 N 0.54 0.84 -0.22 6.23 3.32 -1.67 0.87 116.42 126.33 3kip h ASP 30 Ca 0.51 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.39 3kip h ASP 30 Cb 0.84 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 3kip h ASP 30 CO -0.43 0.75 0.06 0.40 -1.72 0.00 0.00 179.24 178.30 3kip h ILE 31 N 0.87 1.20 -0.07 0.35 2.04 -1.32 0.31 117.51 120.89 3kip h ILE 31 Ca 0.21 -0.63 0.03 0.00 1.00 0.00 0.00 64.86 65.47 3kip h ILE 31 Cb 0.15 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 3kip h ILE 31 CO -0.02 0.20 -0.12 -0.33 0.00 0.00 0.00 178.15 177.87 3kip h GLU 32 N 0.18 -0.17 0.35 2.37 5.08 -0.85 -1.78 114.58 119.75 3kip h GLU 32 Ca 0.07 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3kip h GLU 32 Cb 0.25 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3kip h GLU 32 CO -0.00 -0.11 -0.34 1.96 -1.00 0.00 0.00 179.01 179.51 3kip h GLN 33 N -0.18 -0.66 -0.74 2.33 1.08 -0.64 -1.63 115.11 114.67 3kip h GLN 33 Ca 0.07 0.05 0.14 0.00 -1.45 0.00 0.00 58.65 57.45 3kip h GLN 33 Cb 0.27 0.15 -0.13 0.00 -0.05 0.00 0.00 27.48 27.72 3kip h GLN 33 CO -0.17 -0.44 -0.22 0.00 -0.95 0.00 0.00 178.83 177.05 3kip n ALA 34 N -2.63 0.09 0.42 3.87 0.00 0.08 -0.82 120.51 121.52 3kip n ALA 34 Ca -0.08 0.78 -0.18 0.00 0.00 0.00 0.00 53.44 53.96 3kip n ALA 34 Cb 0.31 -0.43 -0.09 0.00 0.00 0.00 0.00 19.45 19.24 3kip n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kip h ALA 35 N 1.32 -1.06 -0.85 0.00 0.00 -1.02 0.46 119.26 118.10 3kip h ALA 35 Ca 0.32 -0.24 0.22 0.00 0.00 0.00 0.00 54.91 55.21 3kip h ALA 35 Cb 0.50 0.41 -0.14 0.00 0.00 0.00 0.00 17.79 18.56 3kip h ALA 35 CO -0.75 -1.06 0.12 0.82 0.00 0.00 0.00 179.25 178.39 3kip h ILE 36 N -1.14 0.28 0.23 0.00 2.04 -0.73 -2.12 117.51 116.07 3kip h ILE 36 Ca -0.11 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 3kip h ILE 36 Cb 0.82 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 3kip h ILE 36 CO 0.18 0.03 -0.11 -0.08 0.00 0.00 0.00 178.15 178.16 3kip h GLU 37 N 0.14 -0.30 -0.96 2.37 4.57 -0.78 -2.49 114.58 117.13 3kip h GLU 37 Ca 0.51 0.02 0.21 0.00 -1.18 0.00 0.00 59.36 58.92 3kip h GLU 37 Cb 0.99 0.07 -0.18 0.00 -0.16 0.00 0.00 28.75 29.47 3kip h GLU 37 CO -0.70 0.07 -0.18 0.94 -1.18 0.00 0.00 179.01 177.96 3kip n GLN 38 N -5.01 -0.08 0.01 1.92 7.27 0.16 -1.21 117.38 120.44 3kip n GLN 38 Ca -0.08 1.49 -0.12 0.00 0.07 0.00 0.00 57.00 58.36 3kip n GLN 38 Cb 0.26 -2.25 -0.07 0.00 2.41 0.00 0.00 30.24 30.59 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 1.93 0.05 -0.22 1.69 0.00 -1.33 -3.23 119.26 118.15 3kip h ALA 39 Ca 0.49 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.36 3kip h ALA 39 Cb 0.82 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 3kip h ALA 39 CO -0.97 -0.38 -0.47 0.87 0.00 0.00 0.00 179.25 178.30 3kip h LYS 40 N -0.07 -0.41 -0.04 0.00 1.57 -0.78 -2.67 116.57 114.17 3kip h LYS 40 Ca 0.01 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3kip h LYS 40 Cb 0.13 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 3kip h LYS 40 CO -0.00 -0.28 0.62 -0.07 -0.57 0.00 0.00 179.45 179.16 3kip h LEU 41 N -0.43 0.00 -1.88 2.94 3.38 -1.17 0.19 115.31 118.34 3kip h LEU 41 Ca 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3kip h LEU 41 Cb 0.55 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 3kip h LEU 41 CO -0.43 0.00 -0.12 0.11 0.09 0.00 0.00 178.44 178.08 3kip h LYS 42 N 0.00 0.00 0.00 1.13 1.79 -1.51 -3.47 116.57 114.51 3kip h LYS 42 Ca 0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 3kip h LYS 42 Cb 1.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 3kip h LYS 42 CO -0.00 0.12 0.00 -1.71 -1.08 0.00 0.00 179.45 176.78 3kip n ASN 43 N -4.03 0.00 -2.10 0.86 2.85 0.67 -4.91 115.26 108.60 3kip n ASN 43 Ca -0.02 0.00 -0.25 0.00 -0.11 0.00 0.00 54.58 54.19 3kip n ASN 43 Cb 0.21 0.00 0.08 0.00 1.24 0.00 0.00 39.78 41.30 3kip n ASN 43 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 3kip n ASN 44 N 0.35 6.50 -3.95 1.20 0.23 -1.26 -4.87 115.26 113.46 3kip n ASN 44 Ca 0.00 -3.42 -0.26 0.00 -0.53 0.00 0.00 54.58 50.37 3kip n ASN 44 Cb 0.00 -0.97 -0.01 0.00 -2.08 0.00 0.00 39.78 36.72 3kip n ASN 44 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3kip n ASP 45 N -0.42 -0.86 -4.85 0.53 9.92 -1.26 -5.01 116.55 114.59 3kip n ASP 45 Ca 0.48 -0.98 -0.30 0.00 -0.53 0.00 0.00 54.79 53.46 3kip n ASP 45 Cb 0.77 -3.16 0.07 0.00 -0.64 0.00 0.00 41.12 38.16 3kip n ASP 45 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 3kip s SER 46 N -4.22 4.89 -0.28 -2.24 0.01 -1.26 -4.86 113.70 105.74 3kip s SER 46 Ca 0.10 1.14 -0.19 0.00 1.31 0.00 0.00 55.95 58.32 3kip s SER 46 Cb -0.05 -1.87 0.08 0.00 0.21 0.00 0.00 66.02 64.38 3kip s SER 46 CO 0.88 -1.70 0.70 -0.70 0.41 0.00 0.00 173.24 172.84 3kip s GLU 47 N -5.31 0.75 -0.22 12.44 2.12 -0.32 -4.39 118.70 123.77 3kip s GLU 47 Ca 0.60 1.15 -0.05 0.00 0.36 0.00 0.00 54.97 57.02 3kip s GLU 47 Cb -0.12 0.23 -0.02 0.00 0.26 0.00 0.00 34.13 34.47 3kip s GLU 47 CO 0.52 -0.13 0.01 0.08 -0.54 0.00 0.00 175.26 175.20 3kip s VAL 48 N 1.22 3.86 0.25 3.70 1.01 -1.26 -1.90 120.40 127.28 3kip s VAL 48 Ca -0.07 -0.33 -0.10 0.00 0.00 0.00 0.00 61.98 61.48 3kip s VAL 48 Cb -0.05 -2.77 -0.07 0.00 0.00 0.00 0.00 36.38 33.48 3kip s VAL 48 CO -0.13 0.40 0.59 -0.76 0.00 0.00 0.00 175.10 175.19 3kip s LEU 49 N 1.38 4.13 0.15 3.92 1.43 0.06 -4.55 118.68 125.20 3kip s LEU 49 Ca 0.05 0.97 0.10 0.00 -1.03 0.00 0.00 54.13 54.22 3kip s LEU 49 Cb -0.15 -3.75 -0.04 0.00 0.03 0.00 0.00 46.19 42.28 3kip s LEU 49 CO 0.01 -0.11 -0.23 0.68 0.23 0.00 0.00 176.35 176.92 3kip s VAL 50 N -1.88 2.09 -0.01 -1.59 -7.23 -1.26 0.32 120.40 110.84 3kip s VAL 50 Ca 0.48 -1.80 -0.24 0.00 -1.81 0.00 0.00 61.98 58.61 3kip s VAL 50 Cb -0.11 -1.90 0.05 0.00 0.56 0.00 0.00 36.38 34.98 3kip s VAL 50 CO 0.21 -0.06 0.52 0.12 -0.31 0.00 0.00 175.10 175.58 3kip s PHE 51 N -1.39 -0.45 -0.19 2.82 5.36 -0.51 -4.93 117.98 118.69 3kip s PHE 51 Ca 0.14 0.69 -0.10 0.00 -0.96 0.00 0.00 56.93 56.70 3kip s PHE 51 Cb -0.09 0.29 0.07 0.00 -0.34 0.00 0.00 43.02 42.95 3kip s PHE 51 CO 0.07 -0.55 0.45 -1.14 -1.46 0.00 0.00 175.22 172.59 3kip s GLN 52 N -1.55 0.44 0.05 10.12 -0.44 -1.26 -0.72 119.66 126.30 3kip s GLN 52 Ca -0.10 0.88 0.00 0.00 -2.50 0.00 0.00 55.36 53.64 3kip s GLN 52 Cb -0.02 0.04 -0.03 0.00 -1.64 0.00 0.00 33.01 31.36 3kip s GLN 52 CO 0.05 -0.17 -0.04 0.45 0.50 0.00 0.00 175.29 176.09 3kip s SER 53 N 1.55 0.57 0.13 6.67 0.15 -1.05 -4.98 113.70 116.74 3kip s SER 53 Ca -0.09 -0.83 0.22 0.00 0.70 0.00 0.00 55.95 55.96 3kip s SER 53 Cb -0.08 0.14 -0.11 0.00 -1.71 0.00 0.00 66.02 64.26 3kip s SER 53 CO -0.14 -0.46 0.86 0.59 1.20 0.00 0.00 173.24 175.29 3kip n ASN 54 N 0.61 0.58 -4.63 5.45 3.02 -1.26 -2.30 115.26 116.72 3kip n ASN 54 Ca -0.17 0.22 -0.40 0.00 -0.03 0.00 0.00 54.58 54.20 3kip n ASN 54 Cb 0.59 0.94 -0.07 0.00 -0.61 0.00 0.00 39.78 40.63 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 -3.41 5.06 0.16 3.41 2.01 -1.26 -4.60 115.64 117.00 3kip s THR 55 Ca -0.03 0.98 -0.17 0.00 0.31 0.00 0.00 61.69 62.79 3kip s THR 55 Cb 0.11 -3.86 0.04 0.00 0.01 0.00 0.00 72.50 68.79 3kip s THR 55 CO 0.83 0.10 1.72 -0.08 -0.69 0.00 0.00 174.62 176.49 3kip h GLU 56 N 7.80 0.14 -1.01 4.92 4.81 -2.01 -2.80 114.58 126.44 3kip h GLU 56 Ca -0.30 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.00 3kip h GLU 56 Cb 1.14 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.42 3kip h GLU 56 CO 0.74 0.09 0.65 0.78 -0.73 0.00 0.00 179.01 180.54 3kip h GLY 57 N 0.14 1.56 0.72 1.92 0.00 -1.99 -0.03 103.07 105.39 3kip h GLY 57 Ca 0.17 -0.46 0.05 0.00 0.00 0.00 0.00 47.33 47.09 3kip h GLY 57 CO -0.25 0.29 0.37 0.74 0.00 0.00 0.00 176.54 177.69 3kip h PHE 58 N 1.13 0.68 -0.54 5.60 0.04 -1.93 0.74 116.94 122.66 3kip h PHE 58 Ca 0.45 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 61.21 3kip h PHE 58 Cb 0.26 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 3kip h PHE 58 CO -0.00 0.34 0.20 0.82 -0.60 0.00 0.00 178.31 179.06 3kip h ILE 59 N 0.69 1.23 -0.22 -0.55 2.04 -0.80 0.10 117.51 119.99 3kip h ILE 59 Ca 0.29 -0.72 0.01 0.00 1.00 0.00 0.00 64.86 65.43 3kip h ILE 59 Cb 0.15 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 3kip h ILE 59 CO -0.17 0.27 0.12 0.40 0.00 0.00 0.00 178.15 178.78 3kip h ILE 60 N 0.74 1.02 -0.99 -0.67 2.04 -0.84 -0.90 117.51 117.91 3kip h ILE 60 Ca 0.18 -0.09 0.08 0.00 1.00 0.00 0.00 64.86 66.02 3kip h ILE 60 Cb 0.23 0.73 -0.07 0.00 -0.74 0.00 0.00 36.82 36.97 3kip h ILE 60 CO -0.01 0.05 0.63 0.44 0.00 0.00 0.00 178.15 179.26 3kip h ASP 61 N 0.26 1.00 -0.27 1.72 3.32 0.88 -2.28 116.42 121.05 3kip h ASP 61 Ca 0.09 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 3kip h ASP 61 Cb 0.00 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 3kip h ASP 61 CO -0.05 0.62 -0.11 -0.09 -1.72 0.00 0.00 179.24 177.90 3kip h ARG 62 N 1.13 0.55 -0.49 3.56 9.65 -0.23 -1.24 114.38 127.31 3kip h ARG 62 Ca 0.44 -0.23 0.05 0.00 -1.10 0.00 0.00 59.98 59.13 3kip h ARG 62 Cb 0.23 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.74 3kip h ARG 62 CO -0.19 0.79 0.24 0.82 2.80 0.00 0.00 179.97 184.43 3kip h ILE 63 N 0.30 0.94 -0.20 1.20 2.04 -0.86 0.24 117.51 121.18 3kip h ILE 63 Ca 0.06 -0.16 0.06 0.00 1.00 0.00 0.00 64.86 65.82 3kip h ILE 63 Cb 0.61 0.43 -0.07 0.00 -0.74 0.00 0.00 36.82 37.05 3kip h ILE 63 CO 0.04 0.09 -0.26 0.45 0.00 0.00 0.00 178.15 178.46 3kip h HIS 64 N 0.47 -0.69 -0.21 1.37 3.86 -1.30 -2.63 115.15 116.01 3kip h HIS 64 Ca 0.22 0.04 0.06 0.00 -1.16 0.00 0.00 60.37 59.52 3kip h HIS 64 Cb 0.14 0.34 -0.07 0.00 1.06 0.00 0.00 27.41 28.88 3kip h HIS 64 CO -0.11 -0.34 -0.26 1.49 0.86 0.00 0.00 177.93 179.57 3kip h GLU 65 N -0.29 -0.28 -0.89 2.45 4.57 -0.44 -1.87 114.58 117.82 3kip h GLU 65 Ca 0.12 0.02 0.15 0.00 -1.18 0.00 0.00 59.36 58.47 3kip h GLU 65 Cb 0.48 0.06 -0.15 0.00 -0.16 0.00 0.00 28.75 28.98 3kip h GLU 65 CO -0.36 -0.19 -0.32 0.00 -1.18 0.00 0.00 179.01 176.97 3kip n ALA 66 N -2.81 -0.02 -0.21 2.92 0.00 0.00 -0.47 120.51 119.91 3kip n ALA 66 Ca -0.02 0.91 -0.03 0.00 0.00 0.00 0.00 53.44 54.31 3kip n ALA 66 Cb 0.30 -0.45 0.16 0.00 0.00 0.00 0.00 19.45 19.46 3kip n ALA 66 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3kip h LYS 67 N 0.00 1.01 0.00 0.00 1.63 -0.97 -0.71 116.57 117.53 3kip h LYS 67 Ca 0.34 -0.16 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 3kip h LYS 67 Cb 0.57 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.02 3kip h LYS 67 CO -0.90 0.81 0.00 0.00 -3.45 0.00 0.00 179.45 175.91 3kip h ARG 68 N 0.99 0.00 -0.27 1.90 3.08 -0.46 0.15 114.38 119.77 3kip h ARG 68 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3kip h ARG 68 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3kip h ARG 68 CO -0.02 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 179.92 3kip n GLN 69 N -2.49 1.82 -3.71 0.04 6.02 -0.16 -4.95 117.38 113.96 3kip n GLN 69 Ca 0.02 -1.26 -0.28 0.00 -0.01 0.00 0.00 57.00 55.47 3kip n GLN 69 Cb 0.28 -1.35 0.02 0.00 1.02 0.00 0.00 30.24 30.21 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 1.13 -0.50 3.76 1.08 0.00 0.53 -4.96 105.19 106.24 3kip n GLY 70 Ca 0.15 0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.21 2.41 -0.26 1.61 1.01 -0.35 -4.78 120.40 116.83 3kip s VAL 71 Ca 0.58 0.38 0.11 0.00 0.00 0.00 0.00 61.98 63.05 3kip s VAL 71 Cb -0.29 -3.24 -0.15 0.00 0.00 0.00 0.00 36.38 32.70 3kip s VAL 71 CO 0.71 0.08 0.36 0.61 0.00 0.00 0.00 175.10 176.86 3kip n GLY 72 N 1.23 -0.30 3.40 4.51 0.00 -0.46 -4.70 105.19 108.87 3kip n GLY 72 Ca 0.03 -0.29 -0.16 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.44 -0.45 -0.05 1.61 2.19 -1.22 -4.30 117.98 113.32 3kip s PHE 73 Ca -0.00 0.76 0.05 0.00 0.33 0.00 0.00 56.93 58.06 3kip s PHE 73 Cb 0.08 0.28 -0.00 0.00 -1.31 0.00 0.00 43.02 42.06 3kip s PHE 73 CO 0.47 -0.52 -0.18 0.08 1.83 0.00 0.00 175.22 176.90 3kip s VAL 74 N -1.25 1.54 -0.20 3.12 1.01 -0.37 -1.94 120.40 122.32 3kip s VAL 74 Ca -0.12 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 3kip s VAL 74 Cb -0.02 -1.32 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 3kip s VAL 74 CO 0.08 0.44 -0.05 -0.69 0.00 0.00 0.00 175.10 174.87 3kip s VAL 75 N 0.02 3.42 -0.08 2.92 1.01 0.87 -1.76 120.40 126.80 3kip s VAL 75 Ca -0.04 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.46 3kip s VAL 75 Cb -0.12 -2.53 0.02 0.00 0.00 0.00 0.00 36.38 33.74 3kip s VAL 75 CO 0.03 0.44 -0.10 -0.51 0.00 0.00 0.00 175.10 174.96 3kip s ILE 76 N 1.17 1.07 -0.41 2.22 2.07 -0.37 -0.96 121.20 125.98 3kip s ILE 76 Ca 0.02 -0.39 -0.10 0.00 -1.41 0.00 0.00 60.65 58.76 3kip s ILE 76 Cb -0.14 -1.02 0.06 0.00 0.13 0.00 0.00 42.46 41.49 3kip s ILE 76 CO -0.01 0.35 0.26 0.21 -1.91 0.00 0.00 174.94 173.84 3kip s ASN 77 N 1.05 5.72 0.00 4.50 3.84 0.08 -0.20 114.94 129.92 3kip s ASN 77 Ca -0.07 -1.33 0.20 0.00 0.21 0.00 0.00 52.86 51.87 3kip s ASN 77 Cb -0.15 -2.02 0.60 0.00 -0.55 0.00 0.00 41.25 39.14 3kip s ASN 77 CO -0.01 -0.50 1.47 0.00 -2.79 0.00 0.00 177.10 175.27 3kip n ALA 78 N 4.97 2.48 -0.45 1.71 0.00 -1.26 0.01 120.51 127.97 3kip n ALA 78 Ca -0.11 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.66 3kip n ALA 78 Cb 0.44 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 1.22 2.20 0.33 0.00 0.00 -1.26 -0.33 105.19 107.35 3kip n GLY 79 Ca 0.16 -0.27 0.21 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.45 1.73 0.00 4.61 0.00 -1.95 -1.38 119.26 121.82 3kip h ALA 80 Ca 0.00 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3kip h ALA 80 Cb 0.00 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3kip h ALA 80 CO 0.00 -0.58 -0.03 1.88 0.00 0.00 0.00 179.25 180.52 3kip h TYR 81 N 0.24 0.00 -1.11 0.00 0.05 -1.06 0.32 116.97 115.40 3kip h TYR 81 Ca 0.68 0.00 0.31 0.00 0.05 0.00 0.00 58.73 59.77 3kip h TYR 81 Cb 1.54 0.00 -0.10 0.00 1.01 0.00 0.00 36.73 39.18 3kip h TYR 81 CO -0.11 0.03 0.72 1.15 -1.05 0.00 0.00 178.16 178.89 3kip h THR 82 N 0.00 0.42 -0.01 -2.88 2.02 -1.26 0.35 112.91 111.55 3kip h THR 82 Ca -0.00 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.08 3kip h THR 82 Cb 0.17 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 3kip h THR 82 CO 0.00 0.05 -0.48 1.41 0.37 0.00 0.00 175.52 176.88 3kip n HIS 83 N -4.62 0.00 0.00 3.16 8.25 0.11 -1.31 115.22 120.80 3kip n HIS 83 Ca 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 3kip n HIS 83 Cb 1.02 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 32.13 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 -0.07 0.00 -3.23 1.59 -2.24 -0.79 -4.79 114.28 104.74 3kip n THR 84 Ca 0.09 -0.00 -0.46 0.00 -2.27 0.00 0.00 64.05 61.42 3kip n THR 84 Cb 0.46 0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.76 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 -0.41 6.41 0.48 3.42 0.15 0.12 -4.77 113.70 119.09 3kip s SER 85 Ca 0.00 -2.01 0.28 0.00 0.70 0.00 0.00 55.95 54.91 3kip s SER 85 Cb 0.00 -2.25 0.94 0.00 -1.71 0.00 0.00 66.02 62.99 3kip s SER 85 CO 0.00 -0.85 1.82 0.58 1.20 0.00 0.00 173.24 175.99 3kip h VAL 86 N 5.54 0.20 0.08 4.45 2.07 -1.94 -3.15 116.25 123.49 3kip h VAL 86 Ca -0.13 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.50 3kip h VAL 86 Cb 1.07 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 3kip h VAL 86 CO 0.97 0.09 -0.04 1.23 0.02 0.00 0.00 177.57 179.84 3kip h GLY 87 N 2.58 -0.11 0.99 2.17 0.00 -1.97 -1.84 103.07 104.90 3kip h GLY 87 Ca -0.00 0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.33 3kip h GLY 87 CO 0.01 -0.04 0.20 -2.22 0.00 0.00 0.00 176.54 174.50 3kip h ILE 88 N -0.14 1.23 -0.51 2.60 2.04 -1.91 -1.16 117.51 119.66 3kip h ILE 88 Ca -0.01 -0.76 0.10 0.00 1.00 0.00 0.00 64.86 65.18 3kip h ILE 88 Cb 0.11 0.65 -0.10 0.00 -0.74 0.00 0.00 36.82 36.73 3kip h ILE 88 CO 0.02 0.29 -0.30 -0.09 0.00 0.00 0.00 178.15 178.07 3kip h ARG 89 N 0.80 -0.17 0.00 2.37 2.43 -1.51 -1.33 114.38 116.97 3kip h ARG 89 Ca 0.19 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.32 3kip h ARG 89 Cb 0.25 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3kip h ARG 89 CO -0.01 -0.11 -0.25 -0.44 -1.51 0.00 0.00 179.97 177.65 3kip h ASP 90 N -0.18 0.00 -0.18 -3.80 5.19 -0.93 -0.23 116.42 116.29 3kip h ASP 90 Ca 0.22 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.54 3kip h ASP 90 Cb 0.53 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.04 3kip h ASP 90 CO -0.61 0.25 -0.21 0.00 -3.12 0.00 0.00 179.24 175.55 3kip h ALA 91 N 1.75 0.27 -0.34 3.45 0.00 -0.29 -0.76 119.26 123.34 3kip h ALA 91 Ca -0.00 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.41 3kip h ALA 91 Cb 0.82 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3kip h ALA 91 CO 0.03 0.22 -0.34 -0.07 0.00 0.00 0.00 179.25 179.09 3kip h LEU 92 N 0.12 0.81 -1.31 0.00 3.38 -0.67 -1.27 115.31 116.37 3kip h LEU 92 Ca 0.03 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 3kip h LEU 92 Cb 0.77 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3kip h LEU 92 CO 0.05 1.07 -0.19 -0.07 0.09 0.00 0.00 178.44 179.40 3kip h LEU 93 N 0.65 0.22 0.11 1.67 3.38 -1.11 -0.11 115.31 120.11 3kip h LEU 93 Ca 0.07 -0.05 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 3kip h LEU 93 Cb 0.88 -0.06 0.02 0.00 0.09 0.00 0.00 40.66 41.59 3kip h LEU 93 CO 0.08 0.43 -0.76 1.23 0.09 0.00 0.00 178.44 179.51 3kip h GLY 94 N 0.84 0.37 1.84 0.83 0.00 -0.78 -3.25 103.07 102.94 3kip h GLY 94 Ca 0.04 -0.86 -0.05 0.00 0.00 0.00 0.00 47.33 46.46 3kip h GLY 94 CO 0.03 0.75 -0.39 -0.91 0.00 0.00 0.00 176.54 176.02 3kip h THR 95 N -0.31 0.39 -0.32 4.70 1.35 -1.30 -3.48 112.91 113.95 3kip h THR 95 Ca -0.12 -1.57 -0.05 0.00 -0.55 0.00 0.00 66.41 64.11 3kip h THR 95 Cb 1.56 2.13 -0.01 0.00 -1.73 0.00 0.00 68.15 70.10 3kip h THR 95 CO 0.14 0.22 -0.06 0.00 -0.25 0.00 0.00 175.52 175.57 3kip n ALA 96 N -2.18 -0.07 -2.70 6.62 0.00 -0.06 -5.00 120.51 117.11 3kip n ALA 96 Ca 0.02 0.03 -0.41 0.00 0.00 0.00 0.00 53.44 53.08 3kip n ALA 96 Cb 0.64 -0.71 -0.04 0.00 0.00 0.00 0.00 19.45 19.33 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 -2.13 4.97 0.52 0.00 1.01 -1.17 -5.04 121.20 119.37 3kip s ILE 97 Ca 0.00 1.62 -0.22 0.00 0.00 0.00 0.00 60.65 62.05 3kip s ILE 97 Cb 0.00 -4.12 -0.06 0.00 0.01 0.00 0.00 42.46 38.29 3kip s ILE 97 CO 0.00 0.18 1.31 -2.84 0.00 0.00 0.00 174.94 173.60 3kip s PRO 98 N 1.13 3.32 0.16 2.79 0.02 -1.26 -4.80 135.00 136.36 3kip s PRO 98 Ca 0.41 2.12 -0.06 0.00 0.02 0.00 0.00 61.00 63.49 3kip s PRO 98 Cb -0.18 -2.31 -0.02 0.00 0.02 0.00 0.00 34.50 32.00 3kip s PRO 98 CO 0.19 -1.01 0.20 -0.59 -0.33 0.00 0.00 177.00 175.46 3kip s PHE 99 N -1.36 0.59 -0.05 6.54 -0.71 -1.26 -1.24 117.98 120.49 3kip s PHE 99 Ca 0.69 -0.95 0.05 0.00 -1.04 0.00 0.00 56.93 55.68 3kip s PHE 99 Cb -0.38 -0.22 -0.01 0.00 -1.21 0.00 0.00 43.02 41.21 3kip s PHE 99 CO 0.45 -0.65 -0.21 0.42 -1.34 0.00 0.00 175.22 173.88 3kip s ILE 100 N -4.00 1.75 -0.16 -4.49 1.01 -0.72 -1.07 121.20 113.51 3kip s ILE 100 Ca 0.20 -0.90 -0.17 0.00 0.00 0.00 0.00 60.65 59.79 3kip s ILE 100 Cb 0.05 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 3kip s ILE 100 CO 0.01 0.49 0.42 -0.70 0.00 0.00 0.00 174.94 175.17 3kip s GLU 101 N -0.10 4.25 -0.10 2.79 2.12 -0.89 -1.24 118.70 125.53 3kip s GLU 101 Ca -0.03 0.30 0.01 0.00 0.36 0.00 0.00 54.97 55.61 3kip s GLU 101 Cb -0.12 -3.49 -0.02 0.00 0.26 0.00 0.00 34.13 30.76 3kip s GLU 101 CO 0.03 0.06 -0.12 0.08 -0.54 0.00 0.00 175.26 174.77 3kip s VAL 102 N 0.97 3.24 -0.10 3.70 1.01 0.72 -1.31 120.40 128.63 3kip s VAL 102 Ca 0.22 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.62 3kip s VAL 102 Cb -0.15 -2.33 -0.00 0.00 0.00 0.00 0.00 36.38 33.90 3kip s VAL 102 CO 0.08 0.55 -0.24 -1.00 0.00 0.00 0.00 175.10 174.50 3kip s HIS 103 N -0.18 2.53 0.22 5.22 3.76 -0.30 -4.23 115.29 122.31 3kip s HIS 103 Ca 0.01 -1.01 -0.07 0.00 -0.15 0.00 0.00 55.06 53.84 3kip s HIS 103 Cb -0.13 -1.69 0.19 0.00 1.11 0.00 0.00 32.58 32.06 3kip s HIS 103 CO 0.03 -0.40 1.78 0.82 -0.85 0.00 0.00 174.74 176.12 3kip h ILE 104 N 5.66 1.26 -2.03 0.60 2.04 -1.87 -0.51 117.51 122.66 3kip h ILE 104 Ca -0.20 -0.85 -0.55 0.00 1.00 0.00 0.00 64.86 64.26 3kip h ILE 104 Cb 1.23 0.39 -0.09 0.00 -0.74 0.00 0.00 36.82 37.61 3kip h ILE 104 CO 0.47 0.34 -0.59 0.42 0.00 0.00 0.00 178.15 178.79 3kip s THR 105 N -5.47 3.19 -0.60 -0.27 -4.23 -1.26 -1.08 115.64 105.93 3kip s THR 105 Ca -0.12 -1.81 -0.28 0.00 -1.18 0.00 0.00 61.69 58.31 3kip s THR 105 Cb 0.16 -2.92 0.02 0.00 1.34 0.00 0.00 72.50 71.10 3kip s THR 105 CO 0.84 -0.27 1.38 0.21 -0.54 0.00 0.00 174.62 176.24 3kip s ASN 106 N -3.76 6.13 0.54 3.99 3.04 -1.26 -3.37 114.94 120.25 3kip s ASN 106 Ca 0.35 0.14 0.24 0.00 0.04 0.00 0.00 52.86 53.62 3kip s ASN 106 Cb -0.04 -2.55 1.52 0.00 -1.54 0.00 0.00 41.25 38.64 3kip s ASN 106 CO 0.21 -1.74 2.17 -0.37 -3.04 0.00 0.00 177.10 174.33 3kip h VAL 107 N 6.31 0.73 0.00 -5.21 -1.51 -1.93 -0.65 116.25 113.99 3kip h VAL 107 Ca -0.27 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 3kip h VAL 107 Cb 1.08 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 31.34 3kip h VAL 107 CO 1.20 0.04 0.00 0.45 -1.23 0.00 0.00 177.57 178.03 3kip h HIS 108 N 0.00 0.00 -0.00 5.19 3.86 -1.88 0.20 115.15 122.52 3kip h HIS 108 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3kip h HIS 108 Cb 0.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.56 3kip h HIS 108 CO 0.00 0.00 -0.01 1.04 0.86 0.00 0.00 177.93 179.82 3kip n GLN 109 N -2.37 0.48 0.00 2.45 6.02 -0.25 -4.92 117.38 118.79 3kip n GLN 109 Ca 0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3kip n GLN 109 Cb 0.18 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.94 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 -1.25 3.67 -1.70 -1.09 1.74 0.69 -5.06 116.66 113.67 3kip n ARG 110 Ca 0.15 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.82 3kip n ARG 110 Cb 0.23 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.68 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 1.97 -0.10 5.56 4.71 -1.26 -4.83 120.64 126.68 3kip n GLU 111 Ca 0.00 0.70 0.16 0.00 -0.01 0.00 0.00 57.16 58.01 3kip n GLU 111 Cb 0.00 -2.38 0.56 0.00 -1.01 0.00 0.00 31.44 28.61 3kip n GLU 111 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 3kip h PRO 112 N 2.17 0.29 -0.25 3.49 0.11 -1.95 -0.85 132.00 135.02 3kip h PRO 112 Ca -0.48 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.69 3kip h PRO 112 Cb 1.29 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 3kip h PRO 112 CO 0.60 0.19 0.24 0.27 -0.21 0.00 0.00 178.00 179.10 3kip h PHE 113 N 0.30 0.00 -0.00 0.65 -5.15 -1.97 -0.75 116.94 110.01 3kip h PHE 113 Ca 0.32 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.09 3kip h PHE 113 Cb 0.84 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.01 3kip h PHE 113 CO -0.00 0.00 -0.05 0.54 -2.00 0.00 0.00 178.31 176.80 3kip n ARG 114 N -3.95 0.70 0.09 6.09 1.74 -0.32 -3.05 116.66 117.95 3kip n ARG 114 Ca 0.03 -0.15 0.12 0.00 -0.77 0.00 0.00 57.85 57.09 3kip n ARG 114 Cb 0.38 -1.50 0.45 0.00 -1.02 0.00 0.00 32.46 30.78 3kip n ARG 114 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3kip n HIS 115 N -1.02 0.71 -3.72 -1.55 8.25 -0.29 -4.71 115.22 112.88 3kip n HIS 115 Ca 0.16 0.23 -0.33 0.00 -0.26 0.00 0.00 57.72 57.52 3kip n HIS 115 Cb 0.24 -0.87 -0.05 0.00 1.12 0.00 0.00 29.99 30.43 3kip n HIS 115 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3kip s GLN 116 N -3.14 3.61 -0.01 -0.41 -1.52 -1.17 -5.09 119.66 111.93 3kip s GLN 116 Ca 0.09 -0.07 0.00 0.00 -1.95 0.00 0.00 55.36 53.44 3kip s GLN 116 Cb 0.12 -3.00 0.01 0.00 -0.22 0.00 0.00 33.01 29.92 3kip s GLN 116 CO 0.51 0.58 0.00 0.45 -0.25 0.00 0.00 175.29 176.59 3kip s SER 117 N -1.97 0.09 0.00 5.90 0.15 -1.26 -4.45 113.70 112.16 3kip s SER 117 Ca 0.33 -0.00 0.22 0.00 0.70 0.00 0.00 55.95 57.20 3kip s SER 117 Cb -0.13 -0.03 0.96 0.00 -1.71 0.00 0.00 66.02 65.11 3kip s SER 117 CO 0.20 -0.02 1.67 -1.22 1.20 0.00 0.00 173.24 175.06 3kip n TYR 118 N 3.34 0.11 -0.13 3.44 4.01 -0.43 -4.23 117.16 123.27 3kip n TYR 118 Ca -0.16 -0.06 -0.26 0.00 -0.16 0.00 0.00 57.90 57.27 3kip n TYR 118 Cb 0.57 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.50 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 -0.05 2.18 -0.34 7.72 4.77 -1.26 -4.70 117.00 125.31 3kip n LEU 119 Ca 0.17 0.20 0.05 0.00 -0.03 0.00 0.00 56.01 56.40 3kip n LEU 119 Cb 0.26 -0.81 0.12 0.00 -2.33 0.00 0.00 43.42 40.66 3kip n LEU 119 CO 0.13 0.66 0.62 -1.20 -1.33 0.00 0.00 177.39 176.26 3kip n SER 120 N -3.93 -0.37 0.00 -1.43 7.64 -1.26 -1.17 113.62 113.10 3kip n SER 120 Ca -0.50 1.63 0.11 0.00 1.01 0.00 0.00 58.87 61.11 3kip n SER 120 Cb 0.90 -0.48 0.50 0.00 -1.01 0.00 0.00 64.21 64.12 3kip n SER 120 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3kip n ASP 121 N -5.52 0.00 -0.21 6.43 5.75 -1.26 -2.44 116.55 119.29 3kip n ASP 121 Ca 0.15 0.26 0.03 0.00 -0.01 0.00 0.00 54.79 55.21 3kip n ASP 121 Cb 0.46 -0.40 0.02 0.00 -1.03 0.00 0.00 41.12 40.17 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 -1.40 -0.22 -1.92 0.11 4.76 -0.31 -5.02 118.16 114.16 3kip n LYS 122 Ca 0.08 -0.80 -0.32 0.00 -2.87 0.00 0.00 58.31 54.39 3kip n LYS 122 Cb 0.22 -1.10 0.02 0.00 -1.84 0.00 0.00 35.03 32.33 3kip n LYS 122 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kip s ALA 123 N -0.45 2.76 -0.03 7.82 0.00 -0.65 -4.79 121.76 126.43 3kip s ALA 123 Ca 0.06 0.26 -0.24 0.00 0.00 0.00 0.00 51.96 52.04 3kip s ALA 123 Cb 0.04 -3.20 -0.18 0.00 0.00 0.00 0.00 23.12 19.79 3kip s ALA 123 CO 0.07 -0.89 1.11 0.28 0.00 0.00 0.00 175.76 176.33 3kip h VAL 124 N 0.09 1.00 -4.50 0.00 2.07 -1.43 -3.47 116.25 110.01 3kip h VAL 124 Ca -0.46 -1.00 -0.23 0.00 0.82 0.00 0.00 66.70 65.83 3kip h VAL 124 Cb 1.21 1.59 -0.15 0.00 -1.52 0.00 0.00 31.29 32.42 3kip h VAL 124 CO 0.58 0.22 -0.63 0.00 0.02 0.00 0.00 177.57 177.76 3kip s ALA 125 N -4.18 1.11 -0.13 1.67 0.00 -1.26 -5.06 121.76 113.92 3kip s ALA 125 Ca -0.14 -1.64 -0.01 0.00 0.00 0.00 0.00 51.96 50.17 3kip s ALA 125 Cb 0.01 1.22 0.03 0.00 0.00 0.00 0.00 23.12 24.39 3kip s ALA 125 CO 0.57 -0.55 -0.05 0.08 0.00 0.00 0.00 175.76 175.80 3kip s VAL 126 N -4.11 0.95 -0.25 0.00 1.01 -1.26 -2.11 120.40 114.64 3kip s VAL 126 Ca 0.35 -0.37 -0.08 0.00 0.00 0.00 0.00 61.98 61.88 3kip s VAL 126 Cb 0.07 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 3kip s VAL 126 CO 0.09 0.25 0.10 -0.63 0.00 0.00 0.00 175.10 174.91 3kip s ILE 127 N 1.72 4.60 -0.04 2.22 1.01 -0.43 -4.98 121.20 125.31 3kip s ILE 127 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.61 3kip s ILE 127 Cb -0.14 -3.15 0.03 0.00 0.01 0.00 0.00 42.46 39.21 3kip s ILE 127 CO -0.08 0.33 -0.00 0.00 0.00 0.00 0.00 174.94 175.20 3kip n GLY 129 N 4.28 0.88 0.68 0.00 0.00 -0.20 -4.67 105.19 106.15 3kip n GLY 129 Ca -0.23 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 45.80 3kip n GLY 129 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kip n LEU 130 N 0.00 2.02 0.00 0.99 7.94 -1.24 -4.66 117.00 122.06 3kip n LEU 130 Ca 0.00 -0.86 0.00 0.00 -1.11 0.00 0.00 56.01 54.04 3kip n LEU 130 Cb 0.00 -0.14 0.00 0.00 0.53 0.00 0.00 43.42 43.81 3kip n LEU 130 CO 0.00 0.43 0.00 0.61 -1.11 0.00 0.00 177.39 177.32 3kip n GLY 131 N 1.20 -1.32 0.39 -3.96 0.00 -0.24 -3.25 105.19 98.01 3kip n GLY 131 Ca 0.16 -1.15 0.19 0.00 0.00 0.00 0.00 46.02 45.22 3kip n GLY 131 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3kip h VAL 132 N 0.00 0.23 0.00 1.61 -1.51 -1.95 -0.19 116.25 114.44 3kip h VAL 132 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3kip h VAL 132 Cb 0.00 0.55 -0.00 0.00 -2.13 0.00 0.00 31.29 29.71 3kip h VAL 132 CO 0.00 0.00 -0.02 0.22 -1.23 0.00 0.00 177.57 176.54 3kip h TYR 133 N 0.00 0.00 -0.72 5.19 3.20 -1.95 -2.06 116.97 120.63 3kip h TYR 133 Ca 0.18 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.07 3kip h TYR 133 Cb 1.24 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.47 3kip h TYR 133 CO 0.00 0.02 0.48 0.78 -1.64 0.00 0.00 178.16 177.80 3kip h GLY 134 N 0.11 1.01 0.21 1.82 0.00 -1.13 0.93 103.07 106.02 3kip h GLY 134 Ca -0.00 -0.36 0.03 0.00 0.00 0.00 0.00 47.33 47.00 3kip h GLY 134 CO 0.00 0.34 -0.38 -0.97 0.00 0.00 0.00 176.54 175.52 3kip h TYR 135 N 0.93 -1.08 -0.61 5.60 0.05 -1.56 -1.68 116.97 118.62 3kip h TYR 135 Ca 0.28 0.03 0.10 0.00 0.05 0.00 0.00 58.73 59.19 3kip h TYR 135 Cb -0.03 0.47 -0.07 0.00 1.01 0.00 0.00 36.73 38.11 3kip h TYR 135 CO -0.00 -0.47 0.22 1.15 -1.05 0.00 0.00 178.16 178.01 3kip h THR 136 N -0.54 0.76 -0.42 -2.88 2.02 -0.96 -0.52 112.91 110.37 3kip h THR 136 Ca 0.05 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 3kip h THR 136 Cb 0.62 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 3kip h THR 136 CO -0.30 0.07 0.13 0.00 0.37 0.00 0.00 175.52 175.80 3kip h ALA 137 N 1.42 0.55 -0.13 6.16 0.00 -0.85 0.52 119.26 126.93 3kip h ALA 137 Ca 0.31 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kip h ALA 137 Cb 0.39 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3kip h ALA 137 CO -0.32 0.19 0.07 0.00 0.00 0.00 0.00 179.25 179.20 3kip h ALA 138 N 0.98 0.16 -0.96 0.00 0.00 -0.67 -1.68 119.26 117.10 3kip h ALA 138 Ca 0.13 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.11 3kip h ALA 138 Cb 0.26 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.92 3kip h ALA 138 CO -0.00 -0.31 0.59 0.82 0.00 0.00 0.00 179.25 180.35 3kip h ILE 139 N 0.12 0.93 -0.61 0.00 2.04 -0.92 0.92 117.51 119.99 3kip h ILE 139 Ca 0.04 -0.33 -0.08 0.00 1.00 0.00 0.00 64.86 65.49 3kip h ILE 139 Cb 0.06 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.01 3kip h ILE 139 CO -0.01 0.17 0.05 -0.33 0.00 0.00 0.00 178.15 178.04 3kip h GLU 140 N 0.96 1.04 -0.63 2.37 4.39 -0.42 -2.47 114.58 119.82 3kip h GLU 140 Ca 0.46 -0.31 -0.09 0.00 0.34 0.00 0.00 59.36 59.77 3kip h GLU 140 Cb 0.42 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 3kip h GLU 140 CO -0.25 1.00 0.04 -0.92 -1.16 0.00 0.00 179.01 177.71 3kip h TYR 141 N 0.94 1.17 0.32 4.33 5.03 -0.65 -3.21 116.97 124.91 3kip h TYR 141 Ca 0.18 -0.19 -0.01 0.00 2.58 0.00 0.00 58.73 61.29 3kip h TYR 141 Cb 0.49 -0.31 0.00 0.00 1.55 0.00 0.00 36.73 38.46 3kip h TYR 141 CO 0.04 1.01 -0.18 0.00 -1.32 0.00 0.00 178.16 177.71 3kip h ALA 142 N 1.03 -1.07 0.00 1.82 0.00 -0.50 -1.74 119.26 118.80 3kip h ALA 142 Ca 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3kip h ALA 142 Cb 0.52 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3kip h ALA 142 CO 0.03 -1.05 0.00 1.28 0.00 0.00 0.00 179.25 179.51 3kip n LEU 143 N -3.36 0.00 0.00 0.00 4.77 -0.96 -2.04 117.00 115.40 3kip n LEU 143 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 3kip n LEU 143 Cb 0.19 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3kip n LEU 143 CO 0.13 0.00 0.35 0.59 -1.33 0.00 0.00 177.39 177.13 3kip n ASN 144 N -0.22 0.89 -4.64 -1.43 4.13 -0.66 -4.67 115.26 108.66 3kip n ASN 144 Ca 0.00 -1.43 -0.35 0.00 1.68 0.00 0.00 54.58 54.49 3kip n ASN 144 Cb 0.00 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.14 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 -0.43 3.22 0.00 3.10 5.04 -0.87 -4.89 117.35 122.52 3kip s TYR 145 Ca 0.00 0.07 0.00 0.00 -2.44 0.00 0.00 57.07 54.70 3kip s TYR 145 Cb 0.00 -1.99 0.00 0.00 0.35 0.00 0.00 41.96 40.32 3kip s TYR 145 CO 0.00 0.23 0.00 0.94 -1.34 0.00 0.00 175.55 175.38