#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kip n VAL 1 N 0.00 0.52 -0.09 1.47 0.31 -0.17 -4.93 118.33 115.44 3kip n VAL 1 Ca 0.00 -0.09 -0.15 0.00 -0.01 0.00 0.00 64.34 64.08 3kip n VAL 1 Cb 0.00 -2.05 -0.14 0.00 -0.91 0.00 0.00 33.84 30.74 3kip n VAL 1 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3kip n LYS 2 N 6.31 0.68 -4.29 5.55 4.76 -1.26 -4.68 118.16 125.22 3kip n LYS 2 Ca 0.20 0.13 -0.34 0.00 -2.87 0.00 0.00 58.31 55.43 3kip n LYS 2 Cb 0.35 -1.57 -0.14 0.00 -1.84 0.00 0.00 35.03 31.83 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 -2.52 3.45 -0.04 1.97 2.20 -1.26 -0.74 119.74 122.79 3kip s LYS 3 Ca -0.23 -0.62 0.03 0.00 -0.36 0.00 0.00 55.97 54.80 3kip s LYS 3 Cb 0.08 -2.87 0.00 0.00 -1.51 0.00 0.00 37.83 33.53 3kip s LYS 3 CO 0.71 0.03 -0.14 0.08 -0.36 0.00 0.00 175.35 175.68 3kip s VAL 4 N 0.86 1.21 -0.31 4.02 1.01 0.46 -1.33 120.40 126.33 3kip s VAL 4 Ca -0.02 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.30 3kip s VAL 4 Cb -0.15 -1.06 0.01 0.00 0.00 0.00 0.00 36.38 35.18 3kip s VAL 4 CO 0.01 0.36 0.11 -0.22 0.00 0.00 0.00 175.10 175.35 3kip s LEU 5 N 0.20 4.02 -0.23 3.92 2.96 -0.27 -0.60 118.68 128.68 3kip s LEU 5 Ca -0.06 -0.76 -0.20 0.00 -0.22 0.00 0.00 54.13 52.89 3kip s LEU 5 Cb -0.12 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.64 3kip s LEU 5 CO 0.02 -0.23 0.63 -0.22 -1.32 0.00 0.00 176.35 175.23 3kip s LEU 6 N 1.51 4.10 -0.07 -0.68 2.96 0.59 -1.35 118.68 125.73 3kip s LEU 6 Ca 0.02 0.76 0.02 0.00 -0.22 0.00 0.00 54.13 54.71 3kip s LEU 6 Cb -0.18 -2.86 -0.03 0.00 0.50 0.00 0.00 46.19 43.62 3kip s LEU 6 CO 0.03 -0.33 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.00 3kip s ILE 7 N 2.25 3.37 -0.03 6.68 1.01 -0.29 -0.81 121.20 133.39 3kip s ILE 7 Ca 0.27 -0.60 0.06 0.00 0.00 0.00 0.00 60.65 60.38 3kip s ILE 7 Cb -0.16 -2.36 -0.01 0.00 0.01 0.00 0.00 42.46 39.94 3kip s ILE 7 CO 0.09 0.59 -0.22 0.20 0.00 0.00 0.00 174.94 175.60 3kip s ASN 8 N -0.66 2.63 0.19 3.58 -0.87 -0.27 -1.77 114.94 117.77 3kip s ASN 8 Ca 0.10 -0.42 0.00 0.00 -1.57 0.00 0.00 52.86 50.97 3kip s ASN 8 Cb -0.11 -0.45 0.00 0.00 -0.02 0.00 0.00 41.25 40.66 3kip s ASN 8 CO 0.01 0.25 0.00 0.61 -2.57 0.00 0.00 177.10 175.40 3kip n GLY 9 N 2.72 0.43 3.64 0.66 0.00 0.16 -2.09 105.19 110.70 3kip n GLY 9 Ca -0.16 -1.84 -0.39 0.00 0.00 0.00 0.00 46.02 43.62 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 -0.36 1.21 0.00 1.61 -0.04 -0.94 -2.98 135.00 133.50 3kip n PRO 10 Ca 0.00 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 3kip n PRO 10 Cb 0.00 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 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 -0.42 0.00 0.29 3.54 3.02 -1.26 -4.63 115.26 115.80 3kip n ASN 11 Ca 0.12 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.81 3kip n ASN 11 Cb 0.44 -0.02 0.89 0.00 -0.61 0.00 0.00 39.78 40.49 3kip n ASN 11 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3kip h LEU 12 N 0.00 0.00 -1.96 3.41 3.38 -1.90 0.71 115.31 118.95 3kip h LEU 12 Ca 0.00 0.00 0.28 0.00 0.09 0.00 0.00 57.88 58.25 3kip h LEU 12 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3kip h LEU 12 CO 0.00 0.01 0.73 -0.55 0.09 0.00 0.00 178.44 178.72 3kip h ASN 13 N 0.00 0.00 0.42 -0.43 -1.07 -1.86 -0.98 115.58 111.66 3kip h ASN 13 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3kip h ASN 13 Cb 0.02 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.27 3kip h ASN 13 CO 0.00 0.00 0.00 0.18 0.07 0.00 0.00 177.43 177.68 3kip n LEU 14 N -4.11 0.00 -4.75 6.14 4.77 0.24 -4.67 117.00 114.63 3kip n LEU 14 Ca 0.20 0.24 -0.40 0.00 -0.03 0.00 0.00 56.01 56.02 3kip n LEU 14 Cb 1.07 -0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 41.87 3kip n LEU 14 CO 0.37 -0.03 0.75 -1.48 -1.33 0.00 0.00 177.39 175.68 3kip s LEU 15 N -2.48 4.56 -0.44 2.23 2.34 -0.37 -1.05 118.68 123.46 3kip s LEU 15 Ca 0.28 2.13 0.03 0.00 0.06 0.00 0.00 54.13 56.63 3kip s LEU 15 Cb 0.18 -3.62 0.12 0.00 -0.56 0.00 0.00 46.19 42.32 3kip s LEU 15 CO 0.39 -0.08 0.20 -0.83 -1.06 0.00 0.00 176.35 174.97 3kip s GLY 16 N -0.75 2.00 0.25 -3.48 0.00 -1.14 -3.34 107.32 100.86 3kip s GLY 16 Ca 0.45 -2.79 0.24 0.00 0.00 0.00 0.00 44.72 42.61 3kip s GLY 16 CO 0.37 1.21 1.39 -0.84 0.00 0.00 0.00 173.10 175.23 3kip h THR 17 N 5.72 0.00 0.00 0.90 2.02 -1.41 -3.43 112.91 116.71 3kip h THR 17 Ca -0.06 -0.79 -0.04 0.00 0.77 0.00 0.00 66.41 66.29 3kip h THR 17 Cb 0.94 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.87 3kip h THR 17 CO 0.58 0.00 -0.32 -0.09 0.37 0.00 0.00 175.52 176.06 3kip h ARG 18 N 0.00 0.00 -0.10 6.66 2.43 -1.97 -3.53 114.38 117.88 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 30.44 3kip h ARG 18 CO 0.00 0.51 0.00 0.98 -1.51 0.00 0.00 179.97 179.95 3kip n TYR 23 N -4.63 0.12 -3.71 2.20 9.36 -1.26 -5.13 117.16 114.10 3kip n TYR 23 Ca -0.10 -0.20 -0.24 0.00 3.32 0.00 0.00 57.90 60.68 3kip n TYR 23 Cb 0.33 -0.01 -0.01 0.00 -0.63 0.00 0.00 39.34 39.02 3kip n TYR 23 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 3kip s GLY 24 N -0.77 2.24 0.00 2.98 0.00 -1.26 -5.02 107.32 105.49 3kip s GLY 24 Ca 0.11 -1.56 0.00 0.00 0.00 0.00 0.00 44.72 43.28 3kip s GLY 24 CO 0.10 -1.85 0.77 -1.30 0.00 0.00 0.00 173.10 170.81 3kip n THR 25 N -1.75 0.54 -2.73 0.90 -2.24 -1.26 -4.35 114.28 103.39 3kip n THR 25 Ca 0.02 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.37 3kip n THR 25 Cb 0.63 -0.77 -0.03 0.00 -2.10 0.00 0.00 70.33 68.06 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 -0.44 4.56 0.44 4.28 2.01 -1.26 -4.77 115.64 120.46 3kip s THR 26 Ca 0.00 1.48 -0.00 0.00 0.31 0.00 0.00 61.69 63.47 3kip s THR 26 Cb 0.00 -4.36 -0.01 0.00 0.01 0.00 0.00 72.50 68.14 3kip s THR 26 CO 0.00 -0.48 0.67 -0.94 -0.69 0.00 0.00 174.62 173.18 3kip s SER 27 N 1.75 5.91 0.28 3.53 1.04 -1.26 -2.87 113.70 122.07 3kip s SER 27 Ca 0.41 0.36 -0.03 0.00 0.48 0.00 0.00 55.95 57.17 3kip s SER 27 Cb -0.12 -1.64 0.37 0.00 0.10 0.00 0.00 66.02 64.72 3kip s SER 27 CO 0.17 -0.66 1.93 0.25 0.98 0.00 0.00 173.24 175.91 3kip h LEU 28 N 0.41 1.01 -0.49 2.42 5.85 -1.79 -1.20 115.31 121.51 3kip h LEU 28 Ca -0.47 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.19 3kip h LEU 28 Cb 1.25 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 3kip h LEU 28 CO 0.58 0.76 0.23 -1.28 -0.34 0.00 0.00 178.44 178.39 3kip h SER 29 N 1.17 0.65 -1.01 1.25 0.87 -1.93 -0.58 113.55 113.97 3kip h SER 29 Ca 0.31 -0.14 0.18 0.00 -1.23 0.00 0.00 61.79 60.92 3kip h SER 29 Cb -0.08 -0.17 -0.11 0.00 -0.44 0.00 0.00 62.40 61.60 3kip h SER 29 CO -0.06 0.60 0.61 0.44 -0.53 0.00 0.00 176.83 177.90 3kip h ASP 30 N 0.65 0.80 -0.14 6.23 3.32 -1.60 -1.19 116.42 124.48 3kip h ASP 30 Ca 0.17 0.09 -0.16 0.00 0.02 0.00 0.00 57.03 57.15 3kip h ASP 30 Cb 0.13 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 39.64 3kip h ASP 30 CO -0.02 0.30 -0.56 0.40 -1.72 0.00 0.00 179.24 177.64 3kip h ILE 31 N 0.79 1.33 -0.76 0.35 2.04 -0.86 -2.51 117.51 117.89 3kip h ILE 31 Ca 0.57 -1.82 -0.04 0.00 1.00 0.00 0.00 64.86 64.57 3kip h ILE 31 Cb 0.87 2.06 -0.03 0.00 -0.74 0.00 0.00 36.82 38.97 3kip h ILE 31 CO -0.37 0.56 0.31 -0.33 0.00 0.00 0.00 178.15 178.32 3kip h GLU 32 N 0.28 1.12 -0.61 2.37 5.08 -0.70 -1.87 114.58 120.25 3kip h GLU 32 Ca -0.03 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.04 3kip h GLU 32 Cb 1.19 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 3kip h GLU 32 CO 0.12 0.91 -0.01 1.96 -1.00 0.00 0.00 179.01 180.99 3kip h GLN 33 N 1.10 1.08 -0.18 2.33 1.08 -1.12 -1.02 115.11 118.38 3kip h GLN 33 Ca 0.25 -0.34 -0.21 0.00 -1.45 0.00 0.00 58.65 56.90 3kip h GLN 33 Cb 0.20 -0.10 0.01 0.00 -0.05 0.00 0.00 27.48 27.54 3kip h GLN 33 CO -0.02 1.05 -0.72 0.00 -0.95 0.00 0.00 178.83 178.19 3kip h ALA 34 N 1.00 0.38 -0.16 3.87 0.00 -1.08 0.55 119.26 123.82 3kip h ALA 34 Ca 0.17 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 3kip h ALA 34 Cb 0.57 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3kip h ALA 34 CO 0.03 0.69 0.04 0.00 0.00 0.00 0.00 179.25 180.01 3kip h ALA 35 N 0.63 0.21 -0.22 0.00 0.00 -1.26 0.28 119.26 118.89 3kip h ALA 35 Ca -0.04 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.78 3kip h ALA 35 Cb 1.34 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 3kip h ALA 35 CO 0.15 -0.15 -0.15 0.82 0.00 0.00 0.00 179.25 179.92 3kip h ILE 36 N 0.06 0.57 -0.54 0.00 2.04 -0.57 -2.41 117.51 116.66 3kip h ILE 36 Ca 0.05 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.92 3kip h ILE 36 Cb 0.26 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 3kip h ILE 36 CO 0.00 0.00 0.36 -0.33 0.00 0.00 0.00 178.15 178.18 3kip h GLU 37 N -0.14 0.67 -0.57 2.37 4.39 -0.71 -2.04 114.58 118.54 3kip h GLU 37 Ca 0.13 -0.04 0.07 0.00 0.34 0.00 0.00 59.36 59.86 3kip h GLU 37 Cb 0.33 -0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 28.77 3kip h GLU 37 CO -0.31 0.45 0.24 0.37 -1.16 0.00 0.00 179.01 178.59 3kip h GLN 38 N 0.69 0.43 0.00 2.33 4.15 0.07 -1.76 115.11 121.03 3kip h GLN 38 Ca 0.20 -0.03 -0.14 0.00 0.77 0.00 0.00 58.65 59.46 3kip h GLN 38 Cb -0.02 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 3kip h GLN 38 CO -0.05 0.29 -1.00 0.00 -1.93 0.00 0.00 178.83 176.13 3kip h ALA 39 N 1.36 0.65 -0.44 3.38 0.00 -1.35 -3.14 119.26 119.72 3kip h ALA 39 Ca 0.27 -0.65 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 3kip h ALA 39 Cb 0.28 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3kip h ALA 39 CO -0.25 0.77 0.08 0.87 0.00 0.00 0.00 179.25 180.72 3kip h LYS 40 N 0.00 0.66 0.00 0.00 1.57 -1.10 -3.20 116.57 114.50 3kip h LYS 40 Ca -0.09 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.50 3kip h LYS 40 Cb 1.48 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.68 3kip h LYS 40 CO 0.05 0.62 -0.32 -0.07 -0.57 0.00 0.00 179.45 179.17 3kip h LEU 41 N 0.64 0.00 -2.34 2.94 3.38 -1.27 -2.52 115.31 116.15 3kip h LEU 41 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3kip h LEU 41 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3kip h LEU 41 CO 0.00 0.32 0.08 0.11 0.09 0.00 0.00 178.44 179.04 3kip h LYS 42 N 0.00 0.00 0.00 1.13 1.79 -1.62 -3.45 116.57 114.42 3kip h LYS 42 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3kip h LYS 42 Cb 0.92 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 3kip h LYS 42 CO 0.04 0.00 0.00 -1.71 -1.08 0.00 0.00 179.45 176.70 3kip n ASN 43 N -2.80 0.00 -1.06 0.86 5.15 -0.95 -4.73 115.26 111.72 3kip n ASN 43 Ca -0.02 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 54.06 3kip n ASN 43 Cb 0.14 -1.91 0.26 0.00 -0.53 0.00 0.00 39.78 37.74 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 3.10 0.00 1.20 0.23 -1.26 -4.91 115.26 113.62 3kip n ASN 44 Ca 0.00 -1.98 0.00 0.00 -0.53 0.00 0.00 54.58 52.07 3kip n ASN 44 Cb 0.00 -0.36 0.00 0.00 -2.08 0.00 0.00 39.78 37.34 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 1.20 -1.29 -4.75 0.53 8.00 -1.26 -5.08 116.55 113.90 3kip n ASP 45 Ca 0.19 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.39 3kip n ASP 45 Cb 0.50 -0.22 0.10 0.00 -0.02 0.00 0.00 41.12 41.49 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 -2.35 4.22 -0.10 -2.24 0.01 -1.26 -4.86 113.70 107.11 3kip s SER 46 Ca 0.00 1.82 -0.19 0.00 1.31 0.00 0.00 55.95 58.89 3kip s SER 46 Cb 0.00 -2.49 0.04 0.00 0.21 0.00 0.00 66.02 63.78 3kip s SER 46 CO 0.00 -2.22 0.47 -0.70 0.41 0.00 0.00 173.24 171.21 3kip s GLU 47 N -4.88 0.71 -0.29 12.44 2.12 0.08 -4.50 118.70 124.37 3kip s GLU 47 Ca 0.62 0.31 0.03 0.00 0.36 0.00 0.00 54.97 56.29 3kip s GLU 47 Cb -0.18 0.33 0.08 0.00 0.26 0.00 0.00 34.13 34.62 3kip s GLU 47 CO 0.56 -0.16 -0.04 0.08 -0.54 0.00 0.00 175.26 175.16 3kip s VAL 48 N -0.56 2.17 0.54 3.70 1.01 -1.26 -0.40 120.40 125.60 3kip s VAL 48 Ca -0.07 -1.91 -0.16 0.00 0.00 0.00 0.00 61.98 59.84 3kip s VAL 48 Cb -0.03 -2.42 -0.07 0.00 0.00 0.00 0.00 36.38 33.86 3kip s VAL 48 CO 0.04 -0.28 1.00 -0.76 0.00 0.00 0.00 175.10 175.10 3kip s LEU 49 N 1.04 3.57 0.01 3.92 1.43 0.23 -4.59 118.68 124.28 3kip s LEU 49 Ca -0.00 1.61 0.04 0.00 -1.03 0.00 0.00 54.13 54.74 3kip s LEU 49 Cb -0.19 -4.51 -0.01 0.00 0.03 0.00 0.00 46.19 41.50 3kip s LEU 49 CO -0.07 -0.73 -0.12 0.68 0.23 0.00 0.00 176.35 176.34 3kip s VAL 50 N -2.63 0.94 0.01 -1.59 -7.23 -1.26 -0.30 120.40 108.33 3kip s VAL 50 Ca 0.60 -0.67 -0.04 0.00 -1.81 0.00 0.00 61.98 60.05 3kip s VAL 50 Cb -0.11 -0.82 -0.01 0.00 0.56 0.00 0.00 36.38 36.00 3kip s VAL 50 CO 0.34 0.15 0.08 0.12 -0.31 0.00 0.00 175.10 175.47 3kip s PHE 51 N -0.49 0.12 -0.02 2.82 5.36 0.01 -4.95 117.98 120.83 3kip s PHE 51 Ca 0.03 -0.26 -0.03 0.00 -0.96 0.00 0.00 56.93 55.71 3kip s PHE 51 Cb -0.06 -0.10 0.00 0.00 -0.34 0.00 0.00 43.02 42.53 3kip s PHE 51 CO 0.00 -0.24 0.07 -1.14 -1.46 0.00 0.00 175.22 172.45 3kip s GLN 52 N -1.36 0.16 0.12 10.12 -0.44 -1.26 -1.12 119.66 125.89 3kip s GLN 52 Ca -0.15 -0.05 -0.19 0.00 -2.50 0.00 0.00 55.36 52.47 3kip s GLN 52 Cb -0.08 0.07 0.05 0.00 -1.64 0.00 0.00 33.01 31.40 3kip s GLN 52 CO 0.01 -0.03 0.47 0.45 0.50 0.00 0.00 175.29 176.69 3kip s SER 53 N -0.33 -0.35 0.02 6.67 0.15 -0.89 -4.98 113.70 113.99 3kip s SER 53 Ca -0.04 -0.15 0.22 0.00 0.70 0.00 0.00 55.95 56.68 3kip s SER 53 Cb -0.03 0.51 -0.04 0.00 -1.71 0.00 0.00 66.02 64.75 3kip s SER 53 CO 0.00 -0.86 0.95 0.59 1.20 0.00 0.00 173.24 175.13 3kip n ASN 54 N -0.15 0.63 -4.52 5.45 3.02 -1.26 -2.21 115.26 116.22 3kip n ASN 54 Ca -0.17 -0.40 -0.42 0.00 -0.03 0.00 0.00 54.58 53.57 3kip n ASN 54 Cb 0.63 0.96 -0.09 0.00 -0.61 0.00 0.00 39.78 40.67 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 -3.17 5.16 0.19 3.41 2.01 -1.26 -4.56 115.64 117.43 3kip s THR 55 Ca 0.04 -0.15 -0.19 0.00 0.31 0.00 0.00 61.69 61.71 3kip s THR 55 Cb 0.15 -3.88 0.16 0.00 0.01 0.00 0.00 72.50 68.93 3kip s THR 55 CO 0.83 -0.20 1.40 1.21 -0.69 0.00 0.00 174.62 177.17 3kip n GLU 56 N 5.40 -0.25 -0.29 4.92 2.13 -1.26 -1.45 120.64 129.84 3kip n GLU 56 Ca -0.09 1.39 0.08 0.00 0.66 0.00 0.00 57.16 59.19 3kip n GLU 56 Cb 0.49 -2.05 0.23 0.00 0.27 0.00 0.00 31.44 30.37 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 1.34 1.65 8.31 0.00 -1.99 -1.16 103.07 111.21 3kip h GLY 57 Ca 0.28 -0.21 -0.12 0.00 0.00 0.00 0.00 47.33 47.28 3kip h GLY 57 CO -0.89 -0.09 -0.42 0.74 0.00 0.00 0.00 176.54 175.88 3kip h PHE 58 N 0.53 0.46 -0.14 5.60 -1.00 -1.68 0.21 116.94 120.92 3kip h PHE 58 Ca 0.47 -0.13 -0.20 0.00 2.81 0.00 0.00 57.97 60.92 3kip h PHE 58 Cb 0.72 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 40.18 3kip h PHE 58 CO -0.12 0.74 -0.72 0.82 -1.61 0.00 0.00 178.31 177.43 3kip h ILE 59 N 0.32 1.32 -0.36 -0.55 2.04 -0.96 -0.81 117.51 118.51 3kip h ILE 59 Ca 0.03 -2.00 -0.01 0.00 1.00 0.00 0.00 64.86 63.88 3kip h ILE 59 Cb 0.87 1.98 -0.02 0.00 -0.74 0.00 0.00 36.82 38.92 3kip h ILE 59 CO 0.07 0.62 0.18 0.40 0.00 0.00 0.00 178.15 179.43 3kip h ILE 60 N 0.43 1.16 -0.45 -0.67 2.04 -0.92 0.87 117.51 119.96 3kip h ILE 60 Ca -0.03 -0.43 0.08 0.00 1.00 0.00 0.00 64.86 65.48 3kip h ILE 60 Cb 1.31 0.78 -0.07 0.00 -0.74 0.00 0.00 36.82 38.11 3kip h ILE 60 CO 0.14 0.16 0.05 0.44 0.00 0.00 0.00 178.15 178.94 3kip h ASP 61 N 0.45 -0.08 -0.28 1.72 3.32 -0.41 -1.02 116.42 120.12 3kip h ASP 61 Ca 0.12 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 3kip h ASP 61 Cb 0.10 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3kip h ASP 61 CO -0.02 -0.01 0.10 -0.09 -1.72 0.00 0.00 179.24 177.50 3kip h ARG 62 N 0.17 0.43 -0.75 3.56 9.65 -0.58 -1.17 114.38 125.68 3kip h ARG 62 Ca 0.22 -0.08 0.09 0.00 -1.10 0.00 0.00 59.98 59.11 3kip h ARG 62 Cb 0.31 -0.07 -0.07 0.00 -1.39 0.00 0.00 29.97 28.75 3kip h ARG 62 CO -0.33 0.47 0.40 0.82 2.80 0.00 0.00 179.97 184.13 3kip h ILE 63 N 0.30 0.88 -0.86 1.20 2.04 -0.45 -0.73 117.51 119.89 3kip h ILE 63 Ca 0.09 -0.23 0.05 0.00 1.00 0.00 0.00 64.86 65.77 3kip h ILE 63 Cb 0.21 0.14 -0.06 0.00 -0.74 0.00 0.00 36.82 36.37 3kip h ILE 63 CO -0.01 0.12 0.54 0.45 0.00 0.00 0.00 178.15 179.26 3kip h HIS 64 N 0.68 1.00 -0.33 1.37 3.86 -0.18 -2.86 115.15 118.69 3kip h HIS 64 Ca 0.36 0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.47 3kip h HIS 64 Cb 0.35 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 3kip h HIS 64 CO -0.09 0.52 -0.35 0.93 0.86 0.00 0.00 177.93 179.81 3kip h GLU 65 N 1.00 0.75 -0.85 2.45 5.08 -0.04 -2.71 114.58 120.25 3kip h GLU 65 Ca 0.37 -0.36 0.09 0.00 -1.00 0.00 0.00 59.36 58.46 3kip h GLU 65 Cb 0.13 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.32 3kip h GLU 65 CO -0.16 0.98 0.55 0.00 -1.00 0.00 0.00 179.01 179.38 3kip h ALA 66 N 0.98 1.69 -0.64 3.43 0.00 -1.00 0.39 119.26 124.11 3kip h ALA 66 Ca 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3kip h ALA 66 Cb 0.88 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 3kip h ALA 66 CO 0.08 0.15 0.34 -0.22 0.00 0.00 0.00 179.25 179.59 3kip h LYS 67 N 0.82 0.90 0.00 0.00 1.63 -1.28 -1.23 116.57 117.42 3kip h LYS 67 Ca 0.39 -0.12 -0.09 0.00 -0.85 0.00 0.00 60.65 59.99 3kip h LYS 67 Cb 0.41 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.86 3kip h LYS 67 CO -0.16 0.70 -0.41 -0.09 -3.45 0.00 0.00 179.45 176.04 3kip h ARG 68 N 0.88 0.00 -0.71 1.90 2.43 -0.18 -2.14 114.38 116.56 3kip h ARG 68 Ca 0.22 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.22 3kip h ARG 68 Cb 0.07 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 29.52 3kip h ARG 68 CO -0.03 0.41 0.21 0.00 -1.51 0.00 0.00 179.97 179.05 3kip n GLN 69 N -4.00 3.98 -1.70 0.20 10.64 -0.01 -4.95 117.38 121.54 3kip n GLN 69 Ca -0.02 -3.12 -0.12 0.00 -1.83 0.00 0.00 57.00 51.92 3kip n GLN 69 Cb 0.45 -2.23 -0.03 0.00 -0.86 0.00 0.00 30.24 27.56 3kip n GLN 69 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3kip n GLY 70 N -0.00 0.70 3.72 2.61 0.00 -0.80 -4.97 105.19 106.45 3kip n GLY 70 Ca 0.38 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 3kip n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kip s VAL 71 N -2.49 2.17 -0.12 1.61 1.01 -0.49 -4.69 120.40 117.40 3kip s VAL 71 Ca 0.00 0.13 0.20 0.00 0.00 0.00 0.00 61.98 62.30 3kip s VAL 71 Cb 0.00 -3.08 -0.25 0.00 0.00 0.00 0.00 36.38 33.05 3kip s VAL 71 CO 0.00 0.01 0.43 0.61 0.00 0.00 0.00 175.10 176.15 3kip n GLY 72 N 3.71 -1.06 3.03 4.51 0.00 -0.44 -4.73 105.19 110.20 3kip n GLY 72 Ca 0.14 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.04 0.12 -0.12 1.61 2.19 -1.19 -4.21 117.98 113.33 3kip s PHE 73 Ca -0.07 -0.26 0.03 0.00 0.33 0.00 0.00 56.93 56.95 3kip s PHE 73 Cb 0.10 -0.10 0.01 0.00 -1.31 0.00 0.00 43.02 41.72 3kip s PHE 73 CO 0.86 -0.21 -0.20 0.08 1.83 0.00 0.00 175.22 177.57 3kip s VAL 74 N -1.21 1.90 -0.22 3.12 1.01 -0.19 -1.11 120.40 123.70 3kip s VAL 74 Ca -0.13 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 60.87 3kip s VAL 74 Cb -0.08 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 3kip s VAL 74 CO 0.00 0.52 0.10 -0.69 0.00 0.00 0.00 175.10 175.03 3kip s VAL 75 N 0.78 4.87 -0.03 2.92 1.01 -0.46 -1.17 120.40 128.32 3kip s VAL 75 Ca -0.09 0.00 -0.00 0.00 0.00 0.00 0.00 61.98 61.89 3kip s VAL 75 Cb -0.16 -3.24 0.03 0.00 0.00 0.00 0.00 36.38 33.01 3kip s VAL 75 CO -0.00 0.39 0.02 -0.51 0.00 0.00 0.00 175.10 175.01 3kip s ILE 76 N 0.88 0.05 -0.38 2.22 2.07 0.14 -1.13 121.20 125.05 3kip s ILE 76 Ca 0.05 0.21 -0.05 0.00 -1.41 0.00 0.00 60.65 59.46 3kip s ILE 76 Cb -0.13 -0.20 0.08 0.00 0.13 0.00 0.00 42.46 42.33 3kip s ILE 76 CO 0.03 0.15 0.16 0.21 -1.91 0.00 0.00 174.94 173.57 3kip s ASN 77 N 1.39 5.28 0.00 4.50 3.84 -0.73 -0.44 114.94 128.78 3kip s ASN 77 Ca -0.05 -1.60 0.29 0.00 0.21 0.00 0.00 52.86 51.71 3kip s ASN 77 Cb -0.13 -1.85 1.16 0.00 -0.55 0.00 0.00 41.25 39.89 3kip s ASN 77 CO -0.03 -0.45 1.81 0.00 -2.79 0.00 0.00 177.10 175.64 3kip n ALA 78 N 4.71 2.60 -0.41 1.71 0.00 -1.26 0.39 120.51 128.25 3kip n ALA 78 Ca -0.08 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 52.95 3kip n ALA 78 Cb 0.43 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 1.15 2.02 0.32 0.00 0.00 -1.26 -1.55 105.19 105.88 3kip n GLY 79 Ca 0.20 -0.30 0.19 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 -0.41 1.59 -0.05 4.61 0.00 -1.96 -1.33 119.26 121.71 3kip h ALA 80 Ca 0.00 0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.16 3kip h ALA 80 Cb 0.00 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3kip h ALA 80 CO 0.00 -0.59 0.33 1.88 0.00 0.00 0.00 179.25 180.87 3kip h TYR 81 N 0.18 0.00 -0.20 0.00 0.05 -1.67 0.13 116.97 115.46 3kip h TYR 81 Ca 0.66 0.00 0.06 0.00 0.05 0.00 0.00 58.73 59.49 3kip h TYR 81 Cb 1.46 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.19 3kip h TYR 81 CO -0.19 0.00 0.17 1.15 -1.05 0.00 0.00 178.16 178.24 3kip h THR 82 N 0.00 0.70 -0.01 -2.88 2.02 -1.35 0.31 112.91 111.70 3kip h THR 82 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.20 3kip h THR 82 Cb 0.68 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 3kip h THR 82 CO -0.00 0.00 -0.52 1.41 0.37 0.00 0.00 175.52 176.78 3kip n HIS 83 N -4.18 0.00 0.00 3.16 8.25 0.03 0.61 115.22 123.10 3kip n HIS 83 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 3kip n HIS 83 Cb 0.30 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.41 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 -0.71 0.00 -3.20 1.59 -2.24 -0.92 -4.82 114.28 103.98 3kip n THR 84 Ca 0.05 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.38 3kip n THR 84 Cb 0.29 0.04 -0.05 0.00 -2.10 0.00 0.00 70.33 68.51 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 -1.51 6.22 0.36 3.42 0.15 0.05 -4.81 113.70 117.58 3kip s SER 85 Ca 0.00 -1.65 0.25 0.00 0.70 0.00 0.00 55.95 55.26 3kip s SER 85 Cb 0.00 -2.26 0.69 0.00 -1.71 0.00 0.00 66.02 62.74 3kip s SER 85 CO 0.00 -0.98 1.72 0.58 1.20 0.00 0.00 173.24 175.76 3kip h VAL 86 N 5.86 0.00 -0.29 4.45 2.07 -1.93 -3.27 116.25 123.14 3kip h VAL 86 Ca -0.27 -0.70 -0.18 0.00 0.82 0.00 0.00 66.70 66.37 3kip h VAL 86 Cb 1.09 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 3kip h VAL 86 CO 1.06 0.00 -0.52 1.23 0.02 0.00 0.00 177.57 179.37 3kip h GLY 87 N 3.76 0.95 1.09 2.17 0.00 -1.96 -0.90 103.07 108.18 3kip h GLY 87 Ca 0.00 -1.10 -0.08 0.00 0.00 0.00 0.00 47.33 46.16 3kip h GLY 87 CO 0.00 0.98 0.11 -2.22 0.00 0.00 0.00 176.54 175.41 3kip h ILE 88 N 0.65 1.26 0.01 2.60 2.04 -1.92 -1.50 117.51 120.65 3kip h ILE 88 Ca 0.02 -1.04 -0.00 0.00 1.00 0.00 0.00 64.86 64.84 3kip h ILE 88 Cb 1.12 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 3kip h ILE 88 CO 0.12 0.39 -0.00 -0.09 0.00 0.00 0.00 178.15 178.56 3kip h ARG 89 N 1.04 -0.01 0.00 2.37 2.43 -1.51 -0.95 114.38 117.74 3kip h ARG 89 Ca 0.20 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 3kip h ARG 89 Cb 0.44 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3kip h ARG 89 CO 0.01 0.01 -0.06 -0.44 -1.51 0.00 0.00 179.97 177.98 3kip h ASP 90 N -0.02 0.00 -0.04 -3.80 5.19 -1.10 0.05 116.42 116.70 3kip h ASP 90 Ca -0.00 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.30 3kip h ASP 90 Cb 0.02 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.54 3kip h ASP 90 CO 0.00 0.06 -0.41 0.00 -3.12 0.00 0.00 179.24 175.78 3kip h ALA 91 N 1.94 0.10 -0.37 3.45 0.00 -0.11 0.15 119.26 124.42 3kip h ALA 91 Ca -0.00 -0.49 -0.13 0.00 0.00 0.00 0.00 54.91 54.29 3kip h ALA 91 Cb 0.33 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3kip h ALA 91 CO 0.01 0.23 -0.28 -0.07 0.00 0.00 0.00 179.25 179.14 3kip h LEU 92 N -0.18 0.80 -0.71 0.00 3.38 -0.73 -0.61 115.31 117.25 3kip h LEU 92 Ca -0.04 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 3kip h LEU 92 Cb 1.10 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 3kip h LEU 92 CO 0.08 1.04 0.31 -0.07 0.09 0.00 0.00 178.44 179.89 3kip h LEU 93 N 0.66 0.96 -0.62 1.67 3.38 -1.11 -2.22 115.31 118.03 3kip h LEU 93 Ca 0.08 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 3kip h LEU 93 Cb 0.81 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3kip h LEU 93 CO 0.07 0.85 -0.47 1.23 0.09 0.00 0.00 178.44 180.20 3kip h GLY 94 N 1.00 0.00 -2.07 0.83 0.00 -0.27 -2.78 103.07 99.79 3kip h GLY 94 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 3kip h GLY 94 CO -0.03 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.21 3kip n THR 95 N -3.46 0.25 -4.00 4.70 -2.24 -0.30 -4.97 114.28 104.26 3kip n THR 95 Ca 0.00 -0.61 -0.31 0.00 -2.27 0.00 0.00 64.05 60.86 3kip n THR 95 Cb 0.61 1.21 0.01 0.00 -2.10 0.00 0.00 70.33 70.05 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 1.38 -1.41 -2.82 6.98 0.00 -0.88 -4.95 120.51 118.81 3kip n ALA 96 Ca 0.17 0.06 -0.37 0.00 0.00 0.00 0.00 53.44 53.30 3kip n ALA 96 Cb 0.60 -3.67 -0.11 0.00 0.00 0.00 0.00 19.45 16.26 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 -3.40 4.83 0.83 0.00 1.01 -0.92 -5.03 121.20 118.52 3kip s ILE 97 Ca 0.57 -0.00 -0.13 0.00 0.00 0.00 0.00 60.65 61.08 3kip s ILE 97 Cb -0.29 -3.25 0.06 0.00 0.01 0.00 0.00 42.46 38.99 3kip s ILE 97 CO 0.86 0.34 0.97 -2.65 0.00 0.00 0.00 174.94 174.46 3kip n PRO 98 N 4.61 0.06 -3.64 2.79 -0.02 -1.26 -4.74 135.00 132.81 3kip n PRO 98 Ca -0.15 0.09 -0.14 0.00 -2.02 0.00 0.00 63.50 61.28 3kip n PRO 98 Cb 0.52 -2.25 -0.06 0.00 -0.02 0.00 0.00 33.50 31.69 3kip n PRO 98 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3kip s PHE 99 N -2.18 -0.33 -0.09 6.00 -0.71 -1.26 -1.03 117.98 118.38 3kip s PHE 99 Ca 0.69 0.37 0.04 0.00 -1.04 0.00 0.00 56.93 56.99 3kip s PHE 99 Cb -0.28 0.25 -0.01 0.00 -1.21 0.00 0.00 43.02 41.77 3kip s PHE 99 CO 0.55 -0.58 -0.22 0.42 -1.34 0.00 0.00 175.22 174.06 3kip s ILE 100 N -2.25 2.32 -0.18 -4.49 1.01 -0.32 -0.34 121.20 116.95 3kip s ILE 100 Ca -0.07 -0.94 -0.23 0.00 0.00 0.00 0.00 60.65 59.41 3kip s ILE 100 Cb -0.01 -1.89 -0.02 0.00 0.01 0.00 0.00 42.46 40.54 3kip s ILE 100 CO -0.01 0.56 0.72 -0.70 0.00 0.00 0.00 174.94 175.51 3kip s GLU 101 N 0.11 4.25 -0.06 2.79 2.12 -0.43 -0.68 118.70 126.79 3kip s GLU 101 Ca -0.10 0.79 0.02 0.00 0.36 0.00 0.00 54.97 56.03 3kip s GLU 101 Cb -0.16 -3.57 -0.03 0.00 0.26 0.00 0.00 34.13 30.63 3kip s GLU 101 CO 0.06 -0.27 -0.09 0.08 -0.54 0.00 0.00 175.26 174.50 3kip s VAL 102 N 1.99 3.49 -0.10 3.70 1.01 0.42 -0.95 120.40 129.96 3kip s VAL 102 Ca 0.33 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.76 3kip s VAL 102 Cb -0.16 -2.41 0.02 0.00 0.00 0.00 0.00 36.38 33.83 3kip s VAL 102 CO 0.11 0.59 -0.12 -1.00 0.00 0.00 0.00 175.10 174.69 3kip s HIS 103 N -0.75 1.66 0.22 5.22 3.76 -0.50 -4.28 115.29 120.62 3kip s HIS 103 Ca 0.11 -0.75 -0.08 0.00 -0.15 0.00 0.00 55.06 54.19 3kip s HIS 103 Cb -0.11 -1.26 0.33 0.00 1.11 0.00 0.00 32.58 32.66 3kip s HIS 103 CO 0.01 -0.43 1.75 0.82 -0.85 0.00 0.00 174.74 176.04 3kip h ILE 104 N 6.03 0.76 -1.80 0.60 2.04 -1.89 -1.27 117.51 121.99 3kip h ILE 104 Ca -0.31 -0.16 -0.53 0.00 1.00 0.00 0.00 64.86 64.86 3kip h ILE 104 Cb 1.16 0.26 -0.06 0.00 -0.74 0.00 0.00 36.82 37.44 3kip h ILE 104 CO 0.46 0.08 -0.50 0.42 0.00 0.00 0.00 178.15 178.62 3kip s THR 105 N -6.07 2.99 -0.66 -0.27 -4.23 -1.26 -1.59 115.64 104.55 3kip s THR 105 Ca -0.13 -1.59 -0.25 0.00 -1.18 0.00 0.00 61.69 58.54 3kip s THR 105 Cb 0.18 -3.02 0.05 0.00 1.34 0.00 0.00 72.50 71.05 3kip s THR 105 CO 0.75 -0.14 1.08 0.21 -0.54 0.00 0.00 174.62 175.98 3kip s ASN 106 N -3.91 6.22 0.43 3.99 3.04 -1.26 -3.18 114.94 120.26 3kip s ASN 106 Ca 0.40 -0.63 0.15 0.00 0.04 0.00 0.00 52.86 52.82 3kip s ASN 106 Cb -0.02 -2.48 1.05 0.00 -1.54 0.00 0.00 41.25 38.26 3kip s ASN 106 CO 0.24 -1.54 1.94 0.58 -3.04 0.00 0.00 177.10 175.29 3kip h VAL 107 N 6.01 0.83 0.00 -5.21 2.07 -1.92 -0.79 116.25 117.24 3kip h VAL 107 Ca -0.28 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.10 3kip h VAL 107 Cb 1.06 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 3kip h VAL 107 CO 1.20 0.07 0.00 1.41 0.02 0.00 0.00 177.57 180.27 3kip n HIS 108 N -4.47 0.00 0.76 1.57 8.25 -1.26 -1.57 115.22 118.50 3kip n HIS 108 Ca 0.13 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.71 3kip n HIS 108 Cb 0.47 -0.41 0.34 0.00 1.12 0.00 0.00 29.99 31.51 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 -1.41 0.17 -0.20 -0.41 6.02 -0.30 -4.95 117.38 116.29 3kip n GLN 109 Ca 0.03 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 3kip n GLN 109 Cb 0.09 -1.64 0.00 0.00 1.02 0.00 0.00 30.24 29.71 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 -1.91 2.75 -1.61 -1.09 1.74 -0.61 -5.03 116.66 110.90 3kip n ARG 110 Ca 0.05 0.00 -0.50 0.00 -0.77 0.00 0.00 57.85 56.63 3kip n ARG 110 Cb 0.40 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.78 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 -0.16 1.44 0.30 5.56 4.71 -1.26 -4.84 120.64 126.39 3kip n GLU 111 Ca 0.00 0.52 0.18 0.00 -0.01 0.00 0.00 57.16 57.85 3kip n GLU 111 Cb 0.00 -2.19 0.93 0.00 -1.01 0.00 0.00 31.44 29.16 3kip n GLU 111 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 3kip h PRO 112 N 4.91 0.00 -0.00 3.49 0.13 -1.95 0.21 132.00 138.79 3kip h PRO 112 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3kip h PRO 112 Cb 1.31 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 3kip h PRO 112 CO 0.81 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.85 3kip h PHE 113 N 0.00 0.00 -0.00 1.56 -5.15 -1.97 -2.15 116.94 109.23 3kip h PHE 113 Ca 0.02 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.79 3kip h PHE 113 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.66 3kip h PHE 113 CO 0.00 0.00 -0.22 0.54 -2.00 0.00 0.00 178.31 176.63 3kip n ARG 114 N -3.45 0.43 -0.06 6.09 1.74 0.75 -3.23 116.66 118.94 3kip n ARG 114 Ca -0.03 -0.18 -0.04 0.00 -0.77 0.00 0.00 57.85 56.83 3kip n ARG 114 Cb 0.08 -1.50 0.17 0.00 -1.02 0.00 0.00 32.46 30.20 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 0.44 0.73 -3.47 -1.55 3.86 -1.49 -3.44 115.15 110.22 3kip h HIS 115 Ca 0.00 -0.13 -0.53 0.00 -1.16 0.00 0.00 60.37 58.55 3kip h HIS 115 Cb 0.44 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.69 3kip h HIS 115 CO 0.00 0.76 -0.00 -0.65 0.86 0.00 0.00 177.93 178.90 3kip s GLN 116 N -4.76 4.05 -0.06 2.45 -1.52 -1.20 -5.06 119.66 113.56 3kip s GLN 116 Ca -0.08 0.61 -0.05 0.00 -1.95 0.00 0.00 55.36 53.89 3kip s GLN 116 Cb 0.14 -2.81 0.02 0.00 -0.22 0.00 0.00 33.01 30.15 3kip s GLN 116 CO 0.80 0.38 0.16 0.45 -0.25 0.00 0.00 175.29 176.83 3kip s SER 117 N -1.86 -0.16 0.00 5.90 0.15 -1.26 -4.54 113.70 111.94 3kip s SER 117 Ca 0.43 0.32 0.16 0.00 0.70 0.00 0.00 55.95 57.55 3kip s SER 117 Cb -0.14 0.30 0.46 0.00 -1.71 0.00 0.00 66.02 64.92 3kip s SER 117 CO 0.20 -0.07 1.37 -1.22 1.20 0.00 0.00 173.24 174.72 3kip n TYR 118 N 3.23 0.55 -0.08 3.44 4.01 0.20 -4.12 117.16 124.40 3kip n TYR 118 Ca -0.15 -0.28 -0.10 0.00 -0.16 0.00 0.00 57.90 57.21 3kip n TYR 118 Cb 0.58 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.53 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 0.82 2.77 -0.32 7.72 4.77 -1.26 -4.70 117.00 126.80 3kip n LEU 119 Ca 0.16 -0.08 0.20 0.00 -0.03 0.00 0.00 56.01 56.26 3kip n LEU 119 Cb 0.39 -0.49 0.39 0.00 -2.33 0.00 0.00 43.42 41.39 3kip n LEU 119 CO 0.11 0.73 0.98 0.28 -1.33 0.00 0.00 177.39 178.16 3kip h SER 120 N 0.00 0.09 0.57 -1.43 0.02 -1.94 -0.57 113.55 110.30 3kip h SER 120 Ca -0.35 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 3kip h SER 120 Cb 1.56 0.28 0.00 0.00 0.14 0.00 0.00 62.40 64.38 3kip h SER 120 CO -0.05 -0.25 -0.02 -0.90 -1.14 0.00 0.00 176.83 174.47 3kip n ASP 121 N -5.24 0.06 0.00 3.07 5.75 -1.26 -2.23 116.55 116.69 3kip n ASP 121 Ca 0.28 -0.15 0.00 0.00 -0.01 0.00 0.00 54.79 54.90 3kip n ASP 121 Cb 0.89 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 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 -1.26 0.20 -2.47 0.11 4.76 -0.31 -5.06 118.16 114.13 3kip n LYS 122 Ca 0.14 -0.71 -0.30 0.00 -2.87 0.00 0.00 58.31 54.56 3kip n LYS 122 Cb 0.25 -0.93 -0.01 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 -0.26 3.26 0.16 7.82 0.00 -0.67 -4.80 121.76 127.26 3kip s ALA 123 Ca 0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 51.96 51.66 3kip s ALA 123 Cb 0.00 -2.83 -0.00 0.00 0.00 0.00 0.00 23.12 20.29 3kip s ALA 123 CO 0.00 -0.32 1.51 0.28 0.00 0.00 0.00 175.76 177.24 3kip h VAL 124 N 0.45 1.27 -3.44 0.00 2.07 -1.02 -3.47 116.25 112.12 3kip h VAL 124 Ca -0.46 -1.49 -0.09 0.00 0.82 0.00 0.00 66.70 65.48 3kip h VAL 124 Cb 1.19 1.28 -0.16 0.00 -1.52 0.00 0.00 31.29 32.09 3kip h VAL 124 CO 0.62 0.50 -0.27 0.00 0.02 0.00 0.00 177.57 178.44 3kip s ALA 125 N -4.50 -0.58 -0.17 1.67 0.00 -1.25 -5.07 121.76 111.86 3kip s ALA 125 Ca -0.11 -0.16 -0.00 0.00 0.00 0.00 0.00 51.96 51.69 3kip s ALA 125 Cb 0.12 0.39 0.04 0.00 0.00 0.00 0.00 23.12 23.67 3kip s ALA 125 CO 0.87 -0.45 -0.06 0.08 0.00 0.00 0.00 175.76 176.20 3kip s VAL 126 N -2.95 1.22 -0.13 0.00 1.01 -1.26 -1.31 120.40 116.98 3kip s VAL 126 Ca -0.02 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.22 3kip s VAL 126 Cb 0.01 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 3kip s VAL 126 CO -0.06 0.14 -0.03 -0.63 0.00 0.00 0.00 175.10 174.52 3kip s ILE 127 N 1.58 4.02 -0.30 2.22 1.01 -0.12 -4.99 121.20 124.62 3kip s ILE 127 Ca 0.00 -0.32 -0.11 0.00 0.00 0.00 0.00 60.65 60.22 3kip s ILE 127 Cb -0.15 -2.74 0.14 0.00 0.01 0.00 0.00 42.46 39.72 3kip s ILE 127 CO -0.08 0.53 0.73 0.00 0.00 0.00 0.00 174.94 176.12 3kip n GLY 129 N 5.34 0.79 0.50 0.00 0.00 -0.48 -4.67 105.19 106.68 3kip n GLY 129 Ca -0.11 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.95 3kip n GLY 129 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kip n LEU 130 N 0.00 1.43 0.00 0.99 7.94 -1.24 -4.67 117.00 121.45 3kip n LEU 130 Ca 0.00 -0.72 0.00 0.00 -1.11 0.00 0.00 56.01 54.18 3kip n LEU 130 Cb 0.00 -0.21 0.00 0.00 0.53 0.00 0.00 43.42 43.74 3kip n LEU 130 CO 0.00 0.33 0.00 0.61 -1.11 0.00 0.00 177.39 177.22 3kip n GLY 131 N 0.80 0.96 0.14 -3.96 0.00 -0.62 -3.17 105.19 99.34 3kip n GLY 131 Ca 0.08 -0.79 0.12 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 0.00 1.61 2.07 -1.94 -2.90 116.25 115.09 3kip h VAL 132 Ca 0.00 -0.72 -0.07 0.00 0.82 0.00 0.00 66.70 66.73 3kip h VAL 132 Cb 0.00 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 3kip h VAL 132 CO 0.00 0.00 -0.32 0.22 0.02 0.00 0.00 177.57 177.49 3kip h TYR 133 N 0.00 0.00 -0.83 1.57 3.20 -1.95 -1.58 116.97 117.38 3kip h TYR 133 Ca 0.00 0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.01 3kip h TYR 133 Cb 0.86 0.00 -0.14 0.00 1.54 0.00 0.00 36.73 38.99 3kip h TYR 133 CO 0.00 0.32 -0.28 0.41 -1.64 0.00 0.00 178.16 176.97 3kip n GLY 134 N -0.32 -1.58 0.21 1.82 0.00 -1.09 -0.06 105.19 104.16 3kip n GLY 134 Ca -0.01 0.91 -0.09 0.00 0.00 0.00 0.00 46.02 46.82 3kip n GLY 134 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3kip h TYR 135 N 0.00 0.69 -0.87 1.61 0.05 -1.49 -1.78 116.97 115.17 3kip h TYR 135 Ca 0.33 -0.08 0.01 0.00 0.05 0.00 0.00 58.73 59.05 3kip h TYR 135 Cb 0.54 -0.19 -0.04 0.00 1.01 0.00 0.00 36.73 38.04 3kip h TYR 135 CO -0.69 0.65 0.58 1.15 -1.05 0.00 0.00 178.16 178.79 3kip h THR 136 N 0.52 1.21 0.18 -2.88 2.02 -0.51 -1.95 112.91 111.50 3kip h THR 136 Ca 0.13 -0.40 -0.31 0.00 0.77 0.00 0.00 66.41 66.60 3kip h THR 136 Cb 0.31 -0.05 0.03 0.00 -1.74 0.00 0.00 68.15 66.69 3kip h THR 136 CO 0.00 0.21 -1.34 0.00 0.37 0.00 0.00 175.52 174.77 3kip h ALA 137 N 1.46 -0.04 -0.64 6.16 0.00 -0.87 -1.29 119.26 124.04 3kip h ALA 137 Ca 0.32 -0.83 0.12 0.00 0.00 0.00 0.00 54.91 54.52 3kip h ALA 137 Cb -0.11 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.70 3kip h ALA 137 CO -0.07 0.75 0.16 0.00 0.00 0.00 0.00 179.25 180.09 3kip h ALA 138 N 0.31 0.79 -0.12 0.00 0.00 -1.08 -0.95 119.26 118.22 3kip h ALA 138 Ca -0.20 0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 3kip h ALA 138 Cb 2.03 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.97 3kip h ALA 138 CO 0.25 -0.29 -0.43 0.82 0.00 0.00 0.00 179.25 179.60 3kip h ILE 139 N 0.29 1.32 -0.39 0.00 2.04 -1.21 -0.64 117.51 118.92 3kip h ILE 139 Ca 0.34 -1.57 -0.09 0.00 1.00 0.00 0.00 64.86 64.54 3kip h ILE 139 Cb 0.52 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 3kip h ILE 139 CO -0.41 0.47 -0.13 -0.33 0.00 0.00 0.00 178.15 177.75 3kip h GLU 140 N 0.22 0.70 -0.28 2.37 4.39 -0.62 -1.19 114.58 120.18 3kip h GLU 140 Ca 0.02 -0.23 -0.15 0.00 0.34 0.00 0.00 59.36 59.34 3kip h GLU 140 Cb 0.85 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.44 3kip h GLU 140 CO 0.07 0.81 -0.40 -0.92 -1.16 0.00 0.00 179.01 177.40 3kip h TYR 141 N 0.64 0.94 -0.38 4.33 5.03 -0.72 -3.09 116.97 123.71 3kip h TYR 141 Ca 0.11 -0.31 0.03 0.00 2.58 0.00 0.00 58.73 61.14 3kip h TYR 141 Cb 0.59 -0.18 -0.03 0.00 1.55 0.00 0.00 36.73 38.65 3kip h TYR 141 CO 0.03 1.10 0.19 0.00 -1.32 0.00 0.00 178.16 178.15 3kip h ALA 142 N 0.68 0.47 0.00 1.82 0.00 -0.97 -2.30 119.26 118.96 3kip h ALA 142 Ca 0.03 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kip h ALA 142 Cb 0.99 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3kip h ALA 142 CO 0.09 -0.18 0.00 1.28 0.00 0.00 0.00 179.25 180.44 3kip n LEU 143 N -4.93 0.00 -0.38 0.00 4.77 -0.47 -3.20 117.00 112.79 3kip n LEU 143 Ca 0.01 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.07 3kip n LEU 143 Cb 0.10 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.34 3kip n LEU 143 CO 0.30 0.00 0.44 0.59 -1.33 0.00 0.00 177.39 177.39 3kip n ASN 144 N -0.87 1.89 -4.26 -1.43 5.03 -0.86 -4.65 115.26 110.11 3kip n ASN 144 Ca 0.15 -3.32 -0.32 0.00 0.87 0.00 0.00 54.58 51.95 3kip n ASN 144 Cb 0.07 -0.45 -0.16 0.00 -1.02 0.00 0.00 39.78 38.21 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 -2.74 2.60 -0.73 3.10 5.04 -1.19 -4.93 117.35 118.49 3kip s TYR 145 Ca 0.33 -0.89 0.00 0.00 -2.44 0.00 0.00 57.07 54.07 3kip s TYR 145 Cb 0.31 -1.72 0.00 0.00 0.35 0.00 0.00 41.96 40.90 3kip s TYR 145 CO -0.02 -0.33 0.18 1.04 -1.34 0.00 0.00 175.55 175.08