#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 3.71 -0.02 4.08 1.01 0.16 -4.65 120.40 124.69 3kip s VAL 1 Ca 0.00 1.50 0.04 0.00 0.00 0.00 0.00 61.98 63.52 3kip s VAL 1 Cb 0.00 -3.87 -0.07 0.00 0.00 0.00 0.00 36.38 32.45 3kip s VAL 1 CO 0.00 0.19 0.06 0.29 0.00 0.00 0.00 175.10 175.64 3kip n LYS 2 N 0.58 1.61 -3.90 2.72 4.76 -1.26 -4.73 118.16 117.94 3kip n LYS 2 Ca 0.02 -0.02 -0.30 0.00 -2.87 0.00 0.00 58.31 55.13 3kip n LYS 2 Cb 0.48 -1.12 -0.15 0.00 -1.84 0.00 0.00 35.03 32.40 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 -2.23 1.30 -0.02 1.97 2.20 -1.26 -0.69 119.74 121.01 3kip s LYS 3 Ca -0.02 -1.75 -0.09 0.00 -0.36 0.00 0.00 55.97 53.75 3kip s LYS 3 Cb 0.02 -2.80 -0.05 0.00 -1.51 0.00 0.00 37.83 33.50 3kip s LYS 3 CO 0.19 -0.99 0.28 0.08 -0.36 0.00 0.00 175.35 174.55 3kip s VAL 4 N 0.92 5.27 -0.16 4.02 1.01 -0.57 -0.61 120.40 130.28 3kip s VAL 4 Ca 0.12 0.36 0.02 0.00 0.00 0.00 0.00 61.98 62.48 3kip s VAL 4 Cb -0.20 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.63 3kip s VAL 4 CO -0.11 0.47 -0.20 -0.22 0.00 0.00 0.00 175.10 175.04 3kip s LEU 5 N -1.42 2.20 -0.27 3.92 2.96 -0.20 -1.13 118.68 124.74 3kip s LEU 5 Ca 0.24 -0.59 -0.19 0.00 -0.22 0.00 0.00 54.13 53.37 3kip s LEU 5 Cb -0.14 -1.48 -0.02 0.00 0.50 0.00 0.00 46.19 45.05 3kip s LEU 5 CO 0.13 0.05 0.56 -0.22 -1.32 0.00 0.00 176.35 175.55 3kip s LEU 6 N 0.97 4.08 -0.16 -0.68 2.96 0.25 -1.09 118.68 125.02 3kip s LEU 6 Ca -0.03 0.54 -0.00 0.00 -0.22 0.00 0.00 54.13 54.42 3kip s LEU 6 Cb -0.15 -2.73 -0.00 0.00 0.50 0.00 0.00 46.19 43.81 3kip s LEU 6 CO -0.05 -0.34 -0.14 -0.63 -1.32 0.00 0.00 176.35 173.86 3kip s ILE 7 N 2.41 2.73 -0.11 6.68 1.01 0.00 -0.49 121.20 133.43 3kip s ILE 7 Ca 0.23 -0.75 -0.01 0.00 0.00 0.00 0.00 60.65 60.12 3kip s ILE 7 Cb -0.15 -2.16 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 3kip s ILE 7 CO 0.09 0.51 -0.04 0.20 0.00 0.00 0.00 174.94 175.70 3kip s ASN 8 N 0.83 4.82 0.00 3.58 -0.87 -0.46 -0.84 114.94 122.01 3kip s ASN 8 Ca -0.05 -0.03 0.00 0.00 -1.57 0.00 0.00 52.86 51.21 3kip s ASN 8 Cb -0.15 -1.47 0.00 0.00 -0.02 0.00 0.00 41.25 39.61 3kip s ASN 8 CO -0.00 0.29 0.00 0.61 -2.57 0.00 0.00 177.10 175.43 3kip n GLY 9 N 2.71 0.19 3.64 0.66 0.00 0.21 -2.67 105.19 109.92 3kip n GLY 9 Ca -0.18 -1.75 -0.38 0.00 0.00 0.00 0.00 46.02 43.71 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 0.00 1.09 0.00 1.61 -0.04 -0.94 -3.18 135.00 133.54 3kip n PRO 10 Ca 0.00 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 3kip n PRO 10 Cb 0.00 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.23 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 -0.69 0.00 0.23 3.54 3.02 -1.26 -4.53 115.26 115.57 3kip n ASN 11 Ca 0.13 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.83 3kip n ASN 11 Cb 0.46 0.00 0.65 0.00 -0.61 0.00 0.00 39.78 40.28 3kip n ASN 11 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3kip h LEU 12 N 0.00 0.00 -2.40 3.41 3.38 -1.92 0.51 115.31 118.30 3kip h LEU 12 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kip h LEU 12 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kip h LEU 12 CO 0.00 0.00 -0.01 -0.55 0.09 0.00 0.00 178.44 177.97 3kip h ASN 13 N 0.00 0.00 0.67 -0.43 7.08 -1.86 -3.07 115.58 117.97 3kip h ASN 13 Ca 0.09 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.31 3kip h ASN 13 Cb 1.13 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.37 3kip h ASN 13 CO -0.00 0.01 -0.08 0.18 -2.08 0.00 0.00 177.43 175.45 3kip n LEU 14 N -3.12 0.17 -4.81 6.14 4.32 0.18 -4.66 117.00 115.22 3kip n LEU 14 Ca -0.02 0.26 -0.35 0.00 -0.02 0.00 0.00 56.01 55.89 3kip n LEU 14 Cb 0.16 -0.33 -0.07 0.00 -1.62 0.00 0.00 43.42 41.56 3kip n LEU 14 CO 0.23 0.03 0.58 -1.48 -1.22 0.00 0.00 177.39 175.53 3kip s LEU 15 N -2.75 4.18 -0.59 2.23 2.34 -1.16 -0.61 118.68 122.32 3kip s LEU 15 Ca 0.21 1.64 -0.10 0.00 0.06 0.00 0.00 54.13 55.95 3kip s LEU 15 Cb 0.19 -4.12 0.15 0.00 -0.56 0.00 0.00 46.19 41.86 3kip s LEU 15 CO 0.52 -0.16 0.47 -0.83 -1.06 0.00 0.00 176.35 175.29 3kip s GLY 16 N -1.89 2.27 0.12 -3.48 0.00 -0.93 -3.19 107.32 100.23 3kip s GLY 16 Ca 0.53 -2.85 0.24 0.00 0.00 0.00 0.00 44.72 42.64 3kip s GLY 16 CO 0.19 1.15 1.22 -0.84 0.00 0.00 0.00 173.10 174.82 3kip h THR 17 N 5.65 0.00 0.00 0.90 2.02 -1.21 -3.42 112.91 116.84 3kip h THR 17 Ca -0.11 -0.58 -0.07 0.00 0.77 0.00 0.00 66.41 66.41 3kip h THR 17 Cb 1.04 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 3kip h THR 17 CO 0.83 0.00 -0.89 -1.14 0.37 0.00 0.00 175.52 174.69 3kip n ARG 18 N -2.19 0.50 0.00 6.66 0.63 -1.26 -5.18 116.66 115.82 3kip n ARG 18 Ca 0.02 0.45 0.00 0.00 -0.92 0.00 0.00 57.85 57.41 3kip n ARG 18 Cb 0.46 -1.64 0.00 0.00 0.45 0.00 0.00 32.46 31.73 3kip n ARG 18 CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10 3kip n TYR 23 N -4.53 0.00 -3.53 -0.14 9.36 -1.26 -5.08 117.16 111.98 3kip n TYR 23 Ca -0.16 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.68 3kip n TYR 23 Cb 0.43 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 39.08 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 -0.04 2.42 0.00 2.98 0.00 -1.26 -4.95 107.32 106.47 3kip s GLY 24 Ca 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 44.72 44.45 3kip s GLY 24 CO 0.00 0.16 0.28 -1.30 0.00 0.00 0.00 173.10 172.24 3kip n THR 25 N 2.10 0.27 -3.25 0.90 -2.24 -1.26 -4.31 114.28 106.48 3kip n THR 25 Ca -0.14 -0.07 -0.40 0.00 -2.27 0.00 0.00 64.05 61.17 3kip n THR 25 Cb 0.52 -1.07 -0.08 0.00 -2.10 0.00 0.00 70.33 67.60 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 1.74 5.07 0.55 4.28 2.01 -1.26 -4.69 115.64 123.35 3kip s THR 26 Ca 0.00 0.78 -0.00 0.00 0.31 0.00 0.00 61.69 62.78 3kip s THR 26 Cb 0.00 -3.83 0.03 0.00 0.01 0.00 0.00 72.50 68.71 3kip s THR 26 CO 0.00 0.06 0.79 -0.94 -0.69 0.00 0.00 174.62 173.84 3kip s SER 27 N 1.59 5.33 0.20 3.53 1.04 -1.26 -2.19 113.70 121.93 3kip s SER 27 Ca 0.20 0.12 -0.11 0.00 0.48 0.00 0.00 55.95 56.63 3kip s SER 27 Cb -0.16 -1.04 0.14 0.00 0.10 0.00 0.00 66.02 65.06 3kip s SER 27 CO 0.10 -1.12 1.86 0.25 0.98 0.00 0.00 173.24 175.31 3kip h LEU 28 N 0.04 0.75 -0.93 2.42 5.85 -1.76 -2.11 115.31 119.56 3kip h LEU 28 Ca -0.43 -0.01 0.15 0.00 0.84 0.00 0.00 57.88 58.43 3kip h LEU 28 Cb 1.29 -0.18 -0.10 0.00 0.37 0.00 0.00 40.66 42.04 3kip h LEU 28 CO 0.54 0.54 0.53 -1.28 -0.34 0.00 0.00 178.44 178.43 3kip h SER 29 N 0.89 0.70 -0.05 1.25 0.87 -1.93 -1.86 113.55 113.42 3kip h SER 29 Ca 0.25 0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.89 3kip h SER 29 Cb -0.07 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 61.84 3kip h SER 29 CO -0.07 0.30 0.01 0.44 -0.53 0.00 0.00 176.83 176.99 3kip h ASP 30 N 0.75 0.08 -0.28 6.23 3.32 -1.76 -1.90 116.42 122.86 3kip h ASP 30 Ca 0.50 -0.22 0.04 0.00 0.02 0.00 0.00 57.03 57.37 3kip h ASP 30 Cb 0.68 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.18 3kip h ASP 30 CO -0.34 0.28 0.06 0.40 -1.72 0.00 0.00 179.24 177.92 3kip h ILE 31 N -0.13 0.88 -0.28 0.35 2.04 -1.07 -0.11 117.51 119.19 3kip h ILE 31 Ca 0.02 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 3kip h ILE 31 Cb 0.23 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3kip h ILE 31 CO -0.00 0.03 0.16 -0.33 0.00 0.00 0.00 178.15 178.01 3kip h GLU 32 N 0.17 0.39 -0.03 2.37 5.08 -1.28 -2.47 114.58 118.81 3kip h GLU 32 Ca 0.13 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.47 3kip h GLU 32 Cb 0.13 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3kip h GLU 32 CO -0.16 0.33 -0.09 1.96 -1.00 0.00 0.00 179.01 180.04 3kip h GLN 33 N 0.35 -0.14 -0.58 2.33 1.08 -0.85 -0.68 115.11 116.62 3kip h GLN 33 Ca 0.10 0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.39 3kip h GLN 33 Cb 0.05 0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 27.45 3kip h GLN 33 CO -0.02 -0.09 0.24 0.00 -0.95 0.00 0.00 178.83 178.01 3kip h ALA 34 N 0.86 0.75 -0.01 3.87 0.00 -0.82 -0.45 119.26 123.46 3kip h ALA 34 Ca 0.05 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3kip h ALA 34 Cb 0.21 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3kip h ALA 34 CO -0.12 -0.16 -0.04 0.00 0.00 0.00 0.00 179.25 178.94 3kip h ALA 35 N 1.38 -0.03 -0.68 0.00 0.00 -1.38 0.97 119.26 119.52 3kip h ALA 35 Ca 0.28 0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.33 3kip h ALA 35 Cb 0.30 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.07 3kip h ALA 35 CO -0.26 -0.53 0.18 0.82 0.00 0.00 0.00 179.25 179.46 3kip h ILE 36 N -0.07 0.61 -0.42 0.00 2.04 0.13 -2.12 117.51 117.68 3kip h ILE 36 Ca 0.02 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 3kip h ILE 36 Cb 0.10 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 3kip h ILE 36 CO -0.05 0.06 0.19 -0.33 0.00 0.00 0.00 178.15 178.02 3kip h GLU 37 N 0.31 0.62 -0.79 2.37 4.39 -1.01 -2.69 114.58 117.77 3kip h GLU 37 Ca 0.37 -0.10 0.18 0.00 0.34 0.00 0.00 59.36 60.15 3kip h GLU 37 Cb 0.57 -0.11 -0.12 0.00 -0.10 0.00 0.00 28.75 28.99 3kip h GLU 37 CO -0.43 0.55 0.21 0.37 -1.16 0.00 0.00 179.01 178.55 3kip h GLN 38 N 0.54 0.26 0.01 2.33 4.15 -0.12 0.12 115.11 122.40 3kip h GLN 38 Ca 0.14 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.50 3kip h GLN 38 Cb 0.14 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.78 3kip h GLN 38 CO -0.02 0.18 -0.19 0.00 -1.93 0.00 0.00 178.83 176.87 3kip h ALA 39 N 1.66 0.01 -0.37 3.38 0.00 -1.43 -3.20 119.26 119.31 3kip h ALA 39 Ca 0.46 -0.47 0.07 0.00 0.00 0.00 0.00 54.91 54.98 3kip h ALA 39 Cb 0.83 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.54 3kip h ALA 39 CO -0.55 0.04 -0.35 0.87 0.00 0.00 0.00 179.25 179.27 3kip h LYS 40 N -0.63 -0.27 0.00 0.00 1.57 -1.12 -0.23 116.57 115.88 3kip h LYS 40 Ca -0.03 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3kip h LYS 40 Cb 0.99 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.36 3kip h LYS 40 CO 0.04 -0.18 0.09 1.25 -0.57 0.00 0.00 179.45 180.07 3kip h LEU 41 N -0.28 0.00 0.00 2.94 5.85 -0.86 0.12 115.31 123.08 3kip h LEU 41 Ca 0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3kip h LEU 41 Cb 0.55 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.58 3kip h LEU 41 CO -0.53 0.00 0.00 0.29 -0.34 0.00 0.00 178.44 177.86 3kip n LYS 42 N -2.55 0.54 0.00 1.25 4.76 -0.10 -4.87 118.16 117.19 3kip n LYS 42 Ca -0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 3kip n LYS 42 Cb 0.13 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 3kip n LYS 42 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3kip n ASN 43 N -0.98 0.00 -2.12 4.39 5.15 0.41 -4.84 115.26 117.27 3kip n ASN 43 Ca 0.12 0.00 -0.28 0.00 -0.60 0.00 0.00 54.58 53.82 3kip n ASN 43 Cb 0.06 0.00 0.07 0.00 -0.53 0.00 0.00 39.78 39.38 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 0.69 6.11 -0.05 1.20 6.94 -1.26 -4.87 115.26 124.02 3kip n ASN 44 Ca 0.00 -3.77 -0.01 0.00 -0.02 0.00 0.00 54.58 50.78 3kip n ASN 44 Cb 0.00 -0.71 -0.00 0.00 -2.36 0.00 0.00 39.78 36.71 3kip n ASN 44 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3kip n ASP 45 N -0.87 -3.56 -4.80 0.53 9.92 -1.26 -5.02 116.55 111.49 3kip n ASP 45 Ca 0.53 0.02 -0.34 0.00 -0.53 0.00 0.00 54.79 54.47 3kip n ASP 45 Cb 0.85 -1.11 -0.02 0.00 -0.64 0.00 0.00 41.12 40.19 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 -2.15 6.17 -0.14 -2.24 0.01 -1.26 -4.80 113.70 109.29 3kip s SER 46 Ca 0.00 1.91 -0.17 0.00 1.31 0.00 0.00 55.95 59.00 3kip s SER 46 Cb 0.00 -2.55 0.04 0.00 0.21 0.00 0.00 66.02 63.72 3kip s SER 46 CO 0.00 -0.90 0.47 -0.70 0.41 0.00 0.00 173.24 172.52 3kip s GLU 47 N -3.46 0.61 -0.24 12.44 2.12 0.13 -4.37 118.70 125.95 3kip s GLU 47 Ca 0.67 0.50 0.02 0.00 0.36 0.00 0.00 54.97 56.52 3kip s GLU 47 Cb -0.17 0.29 0.05 0.00 0.26 0.00 0.00 34.13 34.56 3kip s GLU 47 CO 0.25 -0.10 -0.13 0.08 -0.54 0.00 0.00 175.26 174.81 3kip s VAL 48 N -0.10 2.19 0.37 3.70 1.01 -1.26 -1.52 120.40 124.79 3kip s VAL 48 Ca -0.03 -1.39 -0.12 0.00 0.00 0.00 0.00 61.98 60.45 3kip s VAL 48 Cb -0.03 -2.17 -0.07 0.00 0.00 0.00 0.00 36.38 34.11 3kip s VAL 48 CO 0.02 0.16 0.74 -0.76 0.00 0.00 0.00 175.10 175.26 3kip s LEU 49 N 1.17 3.92 0.02 3.92 1.43 -0.28 -4.64 118.68 124.22 3kip s LEU 49 Ca -0.04 1.15 0.06 0.00 -1.03 0.00 0.00 54.13 54.27 3kip s LEU 49 Cb -0.18 -4.00 -0.02 0.00 0.03 0.00 0.00 46.19 42.02 3kip s LEU 49 CO -0.07 -0.32 -0.18 0.68 0.23 0.00 0.00 176.35 176.69 3kip s VAL 50 N -2.22 1.46 -0.01 -1.59 -7.23 -1.26 -0.58 120.40 108.97 3kip s VAL 50 Ca 0.52 -0.97 -0.06 0.00 -1.81 0.00 0.00 61.98 59.65 3kip s VAL 50 Cb -0.10 -1.25 0.00 0.00 0.56 0.00 0.00 36.38 35.59 3kip s VAL 50 CO 0.27 0.26 0.13 0.12 -0.31 0.00 0.00 175.10 175.57 3kip s PHE 51 N -0.63 0.01 -0.07 2.82 5.36 0.35 -4.95 117.98 120.87 3kip s PHE 51 Ca 0.06 -0.04 -0.03 0.00 -0.96 0.00 0.00 56.93 55.96 3kip s PHE 51 Cb -0.08 -0.03 0.04 0.00 -0.34 0.00 0.00 43.02 42.61 3kip s PHE 51 CO 0.01 -0.24 0.15 -1.14 -1.46 0.00 0.00 175.22 172.54 3kip s GLN 52 N -1.09 0.09 0.08 10.12 -0.44 -1.26 -1.35 119.66 125.81 3kip s GLN 52 Ca -0.12 0.40 0.04 0.00 -2.50 0.00 0.00 55.36 53.19 3kip s GLN 52 Cb -0.06 -0.19 -0.03 0.00 -1.64 0.00 0.00 33.01 31.08 3kip s GLN 52 CO 0.01 -0.19 -0.11 0.45 0.50 0.00 0.00 175.29 175.95 3kip s SER 53 N 1.34 1.47 0.36 6.67 0.15 -1.09 -4.99 113.70 117.61 3kip s SER 53 Ca -0.07 -0.70 0.19 0.00 0.70 0.00 0.00 55.95 56.07 3kip s SER 53 Cb -0.12 -0.01 0.30 0.00 -1.71 0.00 0.00 66.02 64.48 3kip s SER 53 CO -0.06 -0.18 1.56 0.78 1.20 0.00 0.00 173.24 176.54 3kip h ASN 54 N 3.97 0.00 -3.55 5.45 2.35 -1.89 -2.50 115.58 119.40 3kip h ASN 54 Ca -0.38 0.00 -0.62 0.00 -0.55 0.00 0.00 56.30 54.75 3kip h ASN 54 Cb 1.19 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 39.44 3kip h ASN 54 CO 0.46 0.29 0.06 -0.89 -1.65 0.00 0.00 177.43 175.70 3kip s THR 55 N -3.15 5.02 0.17 2.81 2.01 -1.26 -4.45 115.64 116.79 3kip s THR 55 Ca 0.04 0.88 -0.30 0.00 0.31 0.00 0.00 61.69 62.63 3kip s THR 55 Cb 0.07 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 3kip s THR 55 CO 0.70 -0.00 1.54 -0.08 -0.69 0.00 0.00 174.62 176.09 3kip h GLU 56 N 8.07 -0.01 -0.66 4.92 4.81 -2.00 -1.24 114.58 128.46 3kip h GLU 56 Ca -0.28 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.08 3kip h GLU 56 Cb 1.13 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.42 3kip h GLU 56 CO 0.75 -0.01 0.18 0.78 -0.73 0.00 0.00 179.01 179.99 3kip h GLY 57 N -0.01 0.90 2.00 1.92 0.00 -1.99 0.07 103.07 105.95 3kip h GLY 57 Ca 0.18 -0.06 -0.06 0.00 0.00 0.00 0.00 47.33 47.38 3kip h GLY 57 CO -0.93 -0.11 -0.29 0.74 0.00 0.00 0.00 176.54 175.94 3kip h PHE 58 N 0.32 0.00 -0.01 5.60 0.04 -1.67 0.42 116.94 121.63 3kip h PHE 58 Ca 0.35 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.96 3kip h PHE 58 Cb 0.53 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.69 3kip h PHE 58 CO -0.22 0.29 -0.62 0.82 -0.60 0.00 0.00 178.31 177.98 3kip h ILE 59 N 0.00 1.41 -0.46 -0.55 2.04 -0.46 -0.64 117.51 118.84 3kip h ILE 59 Ca -0.00 -2.06 0.09 0.00 1.00 0.00 0.00 64.86 63.89 3kip h ILE 59 Cb 0.53 2.53 -0.09 0.00 -0.74 0.00 0.00 36.82 39.05 3kip h ILE 59 CO 0.04 0.60 -0.11 0.40 0.00 0.00 0.00 178.15 179.08 3kip h ILE 60 N -0.04 0.54 -0.88 -0.67 2.04 -0.81 -1.42 117.51 116.27 3kip h ILE 60 Ca -0.07 -0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.90 3kip h ILE 60 Cb 1.32 0.54 -0.08 0.00 -0.74 0.00 0.00 36.82 37.86 3kip h ILE 60 CO 0.12 0.00 0.51 0.44 0.00 0.00 0.00 178.15 179.22 3kip h ASP 61 N 0.00 0.71 0.17 1.72 3.32 0.18 -0.63 116.42 121.89 3kip h ASP 61 Ca 0.22 0.06 -0.11 0.00 0.02 0.00 0.00 57.03 57.22 3kip h ASP 61 Cb 0.34 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3kip h ASP 61 CO -0.48 0.37 -0.41 -0.09 -1.72 0.00 0.00 179.24 176.92 3kip h ARG 62 N 0.80 0.31 -0.09 3.56 9.65 -0.40 -1.24 114.38 126.97 3kip h ARG 62 Ca 0.44 -0.15 -0.14 0.00 -1.10 0.00 0.00 59.98 59.04 3kip h ARG 62 Cb 0.48 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.04 3kip h ARG 62 CO -0.28 0.67 -0.54 0.82 2.80 0.00 0.00 179.97 183.43 3kip h ILE 63 N 0.26 1.36 -0.29 1.20 2.04 -0.13 0.76 117.51 122.70 3kip h ILE 63 Ca 0.02 -1.84 -0.13 0.00 1.00 0.00 0.00 64.86 63.92 3kip h ILE 63 Cb 0.83 1.89 -0.00 0.00 -0.74 0.00 0.00 36.82 38.80 3kip h ILE 63 CO 0.07 0.55 -0.32 0.45 0.00 0.00 0.00 178.15 178.90 3kip h HIS 64 N 0.21 0.88 -0.73 1.37 3.86 -0.41 -2.89 115.15 117.45 3kip h HIS 64 Ca 0.00 -0.27 0.12 0.00 -1.16 0.00 0.00 60.37 59.06 3kip h HIS 64 Cb 1.03 -0.18 -0.08 0.00 1.06 0.00 0.00 27.41 29.23 3kip h HIS 64 CO 0.02 1.03 0.33 1.49 0.86 0.00 0.00 177.93 181.66 3kip h GLU 65 N 0.48 0.50 -0.77 2.45 4.57 -1.00 -2.28 114.58 118.53 3kip h GLU 65 Ca 0.04 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 3kip h GLU 65 Cb 0.89 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 29.33 3kip h GLU 65 CO 0.08 0.33 0.44 0.00 -1.18 0.00 0.00 179.01 178.68 3kip h ALA 66 N 1.49 1.32 -0.39 2.92 0.00 -0.63 -1.38 119.26 122.60 3kip h ALA 66 Ca 0.38 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 3kip h ALA 66 Cb 0.50 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3kip h ALA 66 CO -0.34 0.56 -0.08 -0.22 0.00 0.00 0.00 179.25 179.18 3kip h LYS 67 N 1.07 0.74 0.00 0.00 3.64 -1.37 0.25 116.57 120.89 3kip h LYS 67 Ca 0.27 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3kip h LYS 67 Cb -0.00 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3kip h LYS 67 CO -0.05 0.87 0.00 -0.09 -2.27 0.00 0.00 179.45 177.91 3kip h ARG 68 N 0.55 0.00 -0.10 1.90 2.43 -0.83 -0.89 114.38 117.44 3kip h ARG 68 Ca 0.10 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 3kip h ARG 68 Cb 0.59 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 3kip h ARG 68 CO 0.04 0.00 -0.23 0.00 -1.51 0.00 0.00 179.97 178.27 3kip n GLN 69 N -3.04 1.69 -2.15 0.20 10.64 -0.93 -5.00 117.38 118.78 3kip n GLN 69 Ca -0.03 -3.04 -0.16 0.00 -1.83 0.00 0.00 57.00 51.94 3kip n GLN 69 Cb 0.09 -1.65 -0.02 0.00 -0.86 0.00 0.00 30.24 27.80 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 -1.15 0.05 3.72 2.61 0.00 -0.34 -4.96 105.19 105.12 3kip n GLY 70 Ca 0.22 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.76 3.17 -1.12 1.61 1.01 0.85 -4.77 120.40 118.40 3kip s VAL 71 Ca 0.00 0.87 0.14 0.00 0.00 0.00 0.00 61.98 62.99 3kip s VAL 71 Cb 0.00 -3.55 0.42 0.00 0.00 0.00 0.00 36.38 33.24 3kip s VAL 71 CO 0.00 0.08 1.35 0.61 0.00 0.00 0.00 175.10 177.14 3kip n GLY 72 N 3.30 2.79 3.65 4.51 0.00 0.22 -4.69 105.19 114.97 3kip n GLY 72 Ca 0.11 -0.53 -0.02 0.00 0.00 0.00 0.00 46.02 45.57 3kip n GLY 72 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kip s PHE 73 N -1.16 -0.03 -0.05 1.61 2.19 -1.21 -4.56 117.98 114.77 3kip s PHE 73 Ca 0.31 0.07 0.06 0.00 0.33 0.00 0.00 56.93 57.70 3kip s PHE 73 Cb 0.17 0.49 -0.01 0.00 -1.31 0.00 0.00 43.02 42.37 3kip s PHE 73 CO 0.20 -0.02 -0.23 0.08 1.83 0.00 0.00 175.22 177.08 3kip s VAL 74 N -0.32 1.91 -0.18 3.12 1.01 -0.29 -1.03 120.40 124.64 3kip s VAL 74 Ca 0.08 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 3kip s VAL 74 Cb -0.04 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 3kip s VAL 74 CO -0.14 0.54 -0.09 -0.69 0.00 0.00 0.00 175.10 174.72 3kip s VAL 75 N -0.12 3.17 -0.05 2.92 1.01 -0.25 -1.49 120.40 125.60 3kip s VAL 75 Ca -0.04 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 3kip s VAL 75 Cb -0.13 -2.39 0.03 0.00 0.00 0.00 0.00 36.38 33.89 3kip s VAL 75 CO 0.03 0.48 0.02 -0.51 0.00 0.00 0.00 175.10 175.13 3kip s ILE 76 N 0.93 0.12 -0.45 2.22 2.07 -0.38 -0.82 121.20 124.89 3kip s ILE 76 Ca -0.02 0.23 -0.09 0.00 -1.41 0.00 0.00 60.65 59.36 3kip s ILE 76 Cb -0.15 -0.30 0.10 0.00 0.13 0.00 0.00 42.46 42.25 3kip s ILE 76 CO -0.00 0.19 0.31 0.21 -1.91 0.00 0.00 174.94 173.74 3kip s ASN 77 N 1.73 5.66 0.00 4.50 3.84 -0.02 0.17 114.94 130.83 3kip s ASN 77 Ca 0.00 -1.75 0.31 0.00 0.21 0.00 0.00 52.86 51.63 3kip s ASN 77 Cb -0.13 -2.00 1.64 0.00 -0.55 0.00 0.00 41.25 40.22 3kip s ASN 77 CO -0.03 -0.63 2.09 0.00 -2.79 0.00 0.00 177.10 175.74 3kip n ALA 78 N 4.90 2.64 -0.52 1.71 0.00 -1.26 0.67 120.51 128.65 3kip n ALA 78 Ca -0.09 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.13 3kip n ALA 78 Cb 0.42 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.41 3kip n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kip n GLY 79 N 1.12 2.89 0.37 0.00 0.00 -1.26 -0.98 105.19 107.33 3kip n GLY 79 Ca 0.20 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.52 1.86 -0.10 4.61 0.00 -1.95 -2.18 119.26 120.99 3kip h ALA 80 Ca 0.00 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3kip h ALA 80 Cb 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3kip h ALA 80 CO 0.00 -0.08 0.11 1.88 0.00 0.00 0.00 179.25 181.17 3kip h TYR 81 N 0.65 0.00 -1.04 0.00 0.05 -1.44 0.26 116.97 115.46 3kip h TYR 81 Ca 0.41 0.00 0.28 0.00 0.05 0.00 0.00 58.73 59.47 3kip h TYR 81 Cb 0.67 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.35 3kip h TYR 81 CO -0.00 0.00 0.71 1.15 -1.05 0.00 0.00 178.16 178.97 3kip h THR 82 N 0.00 0.51 -0.00 -2.88 2.02 -1.46 0.32 112.91 111.41 3kip h THR 82 Ca 0.05 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.17 3kip h THR 82 Cb 0.27 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 3kip h THR 82 CO -0.00 0.03 -0.54 1.41 0.37 0.00 0.00 175.52 176.79 3kip n HIS 83 N -4.39 0.00 0.00 3.16 8.25 0.92 -0.35 115.22 122.82 3kip n HIS 83 Ca 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 3kip n HIS 83 Cb 0.99 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.98 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 -1.07 0.00 -3.00 1.59 -2.24 -0.40 -4.76 114.28 104.40 3kip n THR 84 Ca 0.08 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.42 3kip n THR 84 Cb 0.36 0.01 -0.04 0.00 -2.10 0.00 0.00 70.33 68.55 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 -0.92 6.18 0.12 3.42 0.15 0.98 -4.81 113.70 118.82 3kip s SER 85 Ca 0.00 -1.22 0.01 0.00 0.70 0.00 0.00 55.95 55.44 3kip s SER 85 Cb 0.00 -2.35 -0.16 0.00 -1.71 0.00 0.00 66.02 61.80 3kip s SER 85 CO 0.00 -1.25 1.27 0.58 1.20 0.00 0.00 173.24 175.04 3kip h VAL 86 N 5.95 1.55 -0.93 4.45 2.07 -1.95 -3.23 116.25 124.15 3kip h VAL 86 Ca -0.29 -2.97 0.10 0.00 0.82 0.00 0.00 66.70 64.36 3kip h VAL 86 Cb 1.08 2.73 -0.07 0.00 -1.52 0.00 0.00 31.29 33.51 3kip h VAL 86 CO 1.13 0.86 0.60 1.23 0.02 0.00 0.00 177.57 181.41 3kip h GLY 87 N 2.01 1.38 1.08 2.17 0.00 -1.98 -1.27 103.07 106.46 3kip h GLY 87 Ca -0.07 -0.39 -0.12 0.00 0.00 0.00 0.00 47.33 46.75 3kip h GLY 87 CO 0.16 0.20 -0.16 -2.22 0.00 0.00 0.00 176.54 174.52 3kip h ILE 88 N 0.93 1.27 -0.26 2.60 2.04 -1.92 -0.84 117.51 121.32 3kip h ILE 88 Ca 0.43 -1.31 0.03 0.00 1.00 0.00 0.00 64.86 65.01 3kip h ILE 88 Cb 0.42 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 3kip h ILE 88 CO -0.20 0.45 0.07 -0.09 0.00 0.00 0.00 178.15 178.39 3kip h ARG 89 N 0.83 0.17 0.00 2.37 2.43 -1.31 -0.97 114.38 117.90 3kip h ARG 89 Ca 0.12 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 3kip h ARG 89 Cb 0.73 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 3kip h ARG 89 CO 0.06 0.11 -0.30 -0.44 -1.51 0.00 0.00 179.97 177.89 3kip h ASP 90 N 0.17 0.00 -0.12 -3.80 3.32 -1.16 0.10 116.42 114.93 3kip h ASP 90 Ca 0.12 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 3kip h ASP 90 Cb 0.11 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 3kip h ASP 90 CO -0.15 0.30 -0.02 0.00 -1.72 0.00 0.00 179.24 177.65 3kip h ALA 91 N 1.70 0.17 -0.44 3.45 0.00 0.12 0.49 119.26 124.75 3kip h ALA 91 Ca -0.00 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.71 3kip h ALA 91 Cb 0.70 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3kip h ALA 91 CO 0.04 -0.10 0.26 -0.07 0.00 0.00 0.00 179.25 179.38 3kip h LEU 92 N -0.07 0.41 -0.13 0.00 3.38 -1.01 0.81 115.31 118.70 3kip h LEU 92 Ca 0.03 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3kip h LEU 92 Cb 0.43 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 3kip h LEU 92 CO 0.01 0.29 -0.05 -0.07 0.09 0.00 0.00 178.44 178.72 3kip h LEU 93 N 0.52 0.26 -1.52 1.67 3.38 -0.67 -0.98 115.31 117.96 3kip h LEU 93 Ca 0.18 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 3kip h LEU 93 Cb 0.02 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3kip h LEU 93 CO -0.08 0.59 -0.24 1.23 0.09 0.00 0.00 178.44 180.02 3kip h GLY 94 N -0.08 0.00 1.35 0.83 0.00 0.04 -1.79 103.07 103.42 3kip h GLY 94 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3kip h GLY 94 CO 0.02 0.00 -0.46 -1.30 0.00 0.00 0.00 176.54 174.80 3kip n THR 95 N -4.23 0.34 -3.30 4.70 -2.24 0.27 -4.97 114.28 104.84 3kip n THR 95 Ca -0.02 -0.23 -0.17 0.00 -2.27 0.00 0.00 64.05 61.36 3kip n THR 95 Cb 0.30 -0.19 0.07 0.00 -2.10 0.00 0.00 70.33 68.41 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 -1.76 -1.42 -2.97 6.98 0.00 -0.39 -4.99 120.51 115.96 3kip n ALA 96 Ca 0.04 0.13 -0.36 0.00 0.00 0.00 0.00 53.44 53.25 3kip n ALA 96 Cb 0.42 -3.33 -0.12 0.00 0.00 0.00 0.00 19.45 16.42 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 -3.29 4.47 0.69 0.00 1.01 -1.13 -5.06 121.20 117.89 3kip s ILE 97 Ca 0.23 -0.12 -0.17 0.00 0.00 0.00 0.00 60.65 60.59 3kip s ILE 97 Cb -0.10 -3.08 0.01 0.00 0.01 0.00 0.00 42.46 39.29 3kip s ILE 97 CO 0.61 0.35 1.21 -0.81 0.00 0.00 0.00 174.94 176.30 3kip n PRO 98 N 4.69 0.84 -3.80 2.79 -0.04 -1.26 -4.78 135.00 133.43 3kip n PRO 98 Ca -0.16 0.35 -0.10 0.00 -0.04 0.00 0.00 63.50 63.54 3kip n PRO 98 Cb 0.52 -2.45 -0.07 0.00 -0.04 0.00 0.00 33.50 31.46 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 -1.59 0.01 -0.11 0.54 -0.71 -1.26 -1.14 117.98 113.73 3kip s PHE 99 Ca 0.79 -0.27 0.03 0.00 -1.04 0.00 0.00 56.93 56.44 3kip s PHE 99 Cb -0.36 0.02 -0.01 0.00 -1.21 0.00 0.00 43.02 41.46 3kip s PHE 99 CO 0.44 -0.50 -0.20 0.42 -1.34 0.00 0.00 175.22 174.04 3kip s ILE 100 N -2.99 2.43 -0.21 -4.49 1.01 -0.55 -0.89 121.20 115.51 3kip s ILE 100 Ca -0.02 -0.89 -0.25 0.00 0.00 0.00 0.00 60.65 59.49 3kip s ILE 100 Cb 0.01 -1.96 -0.01 0.00 0.01 0.00 0.00 42.46 40.50 3kip s ILE 100 CO -0.06 0.55 0.83 -0.70 0.00 0.00 0.00 174.94 175.56 3kip s GLU 101 N 0.32 4.24 -0.07 2.79 2.12 -0.59 -1.25 118.70 126.26 3kip s GLU 101 Ca -0.15 0.98 -0.05 0.00 0.36 0.00 0.00 54.97 56.11 3kip s GLU 101 Cb -0.17 -3.61 -0.04 0.00 0.26 0.00 0.00 34.13 30.57 3kip s GLU 101 CO 0.08 -0.43 0.15 0.08 -0.54 0.00 0.00 175.26 174.59 3kip s VAL 102 N 2.53 5.41 -0.18 3.70 1.01 0.13 -2.07 120.40 130.93 3kip s VAL 102 Ca 0.37 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.36 3kip s VAL 102 Cb -0.16 -3.43 0.05 0.00 0.00 0.00 0.00 36.38 32.84 3kip s VAL 102 CO 0.09 0.49 -0.01 -1.00 0.00 0.00 0.00 175.10 174.67 3kip s HIS 103 N -1.15 1.42 0.26 5.22 3.76 -0.84 -4.21 115.29 119.75 3kip s HIS 103 Ca 0.20 -0.99 -0.10 0.00 -0.15 0.00 0.00 55.06 54.03 3kip s HIS 103 Cb -0.12 -1.18 0.38 0.00 1.11 0.00 0.00 32.58 32.77 3kip s HIS 103 CO 0.10 -0.60 1.58 0.82 -0.85 0.00 0.00 174.74 175.79 3kip h ILE 104 N 6.47 0.11 -1.53 0.60 2.04 -1.88 -2.38 117.51 120.94 3kip h ILE 104 Ca -0.20 0.00 -0.45 0.00 1.00 0.00 0.00 64.86 65.22 3kip h ILE 104 Cb 1.11 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 3kip h ILE 104 CO 0.36 0.00 -0.31 0.42 0.00 0.00 0.00 178.15 178.62 3kip s THR 105 N -6.24 3.06 -0.67 -0.27 -4.23 -1.26 -1.90 115.64 104.13 3kip s THR 105 Ca -0.15 -1.12 -0.23 0.00 -1.18 0.00 0.00 61.69 59.01 3kip s THR 105 Cb 0.24 -3.06 0.07 0.00 1.34 0.00 0.00 72.50 71.09 3kip s THR 105 CO 0.76 -0.03 0.99 0.21 -0.54 0.00 0.00 174.62 176.02 3kip s ASN 106 N -4.25 6.18 0.48 3.99 3.04 -1.26 -3.01 114.94 120.11 3kip s ASN 106 Ca 0.51 -0.97 0.19 0.00 0.04 0.00 0.00 52.86 52.62 3kip s ASN 106 Cb -0.08 -2.43 1.19 0.00 -1.54 0.00 0.00 41.25 38.40 3kip s ASN 106 CO 0.31 -1.47 2.00 -0.37 -3.04 0.00 0.00 177.10 174.53 3kip h VAL 107 N 5.98 0.83 0.00 -5.21 -1.51 -1.91 0.50 116.25 114.93 3kip h VAL 107 Ca -0.28 -0.07 -0.00 0.00 -1.23 0.00 0.00 66.70 65.12 3kip h VAL 107 Cb 1.07 0.60 -0.00 0.00 -2.13 0.00 0.00 31.29 30.83 3kip h VAL 107 CO 1.19 0.04 -0.01 0.45 -1.23 0.00 0.00 177.57 178.01 3kip h HIS 108 N 0.21 0.00 0.00 5.19 3.86 -1.89 0.34 115.15 122.86 3kip h HIS 108 Ca 0.25 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.43 3kip h HIS 108 Cb 0.70 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.16 3kip h HIS 108 CO -0.00 0.01 -0.13 1.96 0.86 0.00 0.00 177.93 180.63 3kip h GLN 109 N 0.00 0.00 0.00 2.45 4.20 -1.29 -3.47 115.11 116.99 3kip h GLN 109 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3kip h GLN 109 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 3kip h GLN 109 CO 0.00 0.13 0.00 0.54 -0.67 0.00 0.00 178.83 178.84 3kip n ARG 110 N -3.24 1.01 -1.65 1.46 1.74 0.12 -5.05 116.66 111.05 3kip n ARG 110 Ca 0.01 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.69 3kip n ARG 110 Cb 0.42 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.88 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 -0.76 1.42 -0.21 5.56 4.71 -1.26 -4.89 120.64 125.20 3kip n GLU 111 Ca 0.00 0.52 0.04 0.00 -0.01 0.00 0.00 57.16 57.70 3kip n GLU 111 Cb 0.00 -2.22 0.29 0.00 -1.01 0.00 0.00 31.44 28.50 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 1.39 0.87 -0.75 3.49 0.11 -1.96 0.11 132.00 135.27 3kip h PRO 112 Ca -0.47 -0.05 0.22 0.00 0.11 0.00 0.00 66.00 65.80 3kip h PRO 112 Cb 1.33 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 3kip h PRO 112 CO 0.56 0.58 0.68 0.27 -0.21 0.00 0.00 178.00 179.88 3kip h PHE 113 N 0.90 0.00 -0.00 0.65 -5.15 -1.97 0.28 116.94 111.64 3kip h PHE 113 Ca 0.31 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.08 3kip h PHE 113 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.27 3kip h PHE 113 CO -0.00 0.00 -0.15 0.54 -2.00 0.00 0.00 178.31 176.70 3kip n ARG 114 N -3.84 0.39 0.20 6.09 1.74 0.39 -3.14 116.66 118.49 3kip n ARG 114 Ca 0.15 -0.12 0.03 0.00 -0.77 0.00 0.00 57.85 57.14 3kip n ARG 114 Cb 0.94 -1.50 0.41 0.00 -1.02 0.00 0.00 32.46 31.29 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 0.30 0.01 -3.35 -1.55 3.86 -0.52 -3.44 115.15 110.46 3kip h HIS 115 Ca 0.00 -0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.65 3kip h HIS 115 Cb 0.41 -0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.83 3kip h HIS 115 CO 0.00 0.31 0.05 -0.65 0.86 0.00 0.00 177.93 178.50 3kip s GLN 116 N -4.37 4.37 -0.02 2.45 -1.52 -1.19 -5.05 119.66 114.33 3kip s GLN 116 Ca -0.03 0.88 0.04 0.00 -1.95 0.00 0.00 55.36 54.30 3kip s GLN 116 Cb 0.15 -3.30 -0.01 0.00 -0.22 0.00 0.00 33.01 29.63 3kip s GLN 116 CO 0.72 0.46 -0.14 0.45 -0.25 0.00 0.00 175.29 176.52 3kip s SER 117 N -0.58 1.72 0.00 5.90 0.15 -1.26 -4.41 113.70 115.22 3kip s SER 117 Ca 0.33 -0.27 0.20 0.00 0.70 0.00 0.00 55.95 56.91 3kip s SER 117 Cb -0.20 -0.26 0.82 0.00 -1.71 0.00 0.00 66.02 64.68 3kip s SER 117 CO 0.21 0.16 1.57 -1.22 1.20 0.00 0.00 173.24 175.17 3kip n TYR 118 N 2.83 0.16 -0.11 3.44 4.01 0.53 -4.11 117.16 123.91 3kip n TYR 118 Ca -0.15 -0.08 -0.15 0.00 -0.16 0.00 0.00 57.90 57.36 3kip n TYR 118 Cb 0.55 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.46 3kip n TYR 118 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3kip n LEU 119 N 0.01 2.31 -0.34 7.72 4.77 -1.26 -4.75 117.00 125.46 3kip n LEU 119 Ca 0.15 -0.10 0.06 0.00 -0.03 0.00 0.00 56.01 56.09 3kip n LEU 119 Cb 0.25 -0.55 0.14 0.00 -2.33 0.00 0.00 43.42 40.93 3kip n LEU 119 CO 0.12 0.81 0.68 0.28 -1.33 0.00 0.00 177.39 177.95 3kip h SER 120 N 0.00 -0.84 0.78 -1.43 0.02 -1.94 -0.49 113.55 109.65 3kip h SER 120 Ca -0.53 0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 3kip h SER 120 Cb 1.91 0.57 0.00 0.00 0.14 0.00 0.00 62.40 65.02 3kip h SER 120 CO -0.06 -0.31 0.00 -0.90 -1.14 0.00 0.00 176.83 174.42 3kip n ASP 121 N -5.59 0.00 -0.57 3.07 5.75 -1.26 -3.02 116.55 114.93 3kip n ASP 121 Ca 0.15 0.22 0.06 0.00 -0.01 0.00 0.00 54.79 55.21 3kip n ASP 121 Cb 0.49 -0.40 0.09 0.00 -1.03 0.00 0.00 41.12 40.27 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 1.51 -2.36 0.11 4.76 -0.27 -5.02 118.16 115.48 3kip n LYS 122 Ca 0.10 -1.56 -0.28 0.00 -2.87 0.00 0.00 58.31 53.70 3kip n LYS 122 Cb 0.29 -1.26 0.01 0.00 -1.84 0.00 0.00 35.03 32.22 3kip n LYS 122 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kip s ALA 123 N -1.01 3.29 0.07 7.82 0.00 -0.76 -4.82 121.76 126.35 3kip s ALA 123 Ca 0.19 -0.39 -0.20 0.00 0.00 0.00 0.00 51.96 51.55 3kip s ALA 123 Cb 0.11 -2.75 -0.11 0.00 0.00 0.00 0.00 23.12 20.38 3kip s ALA 123 CO 0.16 -0.51 1.52 0.28 0.00 0.00 0.00 175.76 177.21 3kip h VAL 124 N 0.00 1.24 -3.58 0.00 2.07 -1.36 -3.47 116.25 111.15 3kip h VAL 124 Ca -0.46 -0.79 -0.06 0.00 0.82 0.00 0.00 66.70 66.21 3kip h VAL 124 Cb 1.21 1.40 -0.12 0.00 -1.52 0.00 0.00 31.29 32.26 3kip h VAL 124 CO 0.62 0.24 -0.15 0.00 0.02 0.00 0.00 177.57 178.30 3kip s ALA 125 N -5.09 -0.51 -0.04 1.67 0.00 -1.25 -5.08 121.76 111.46 3kip s ALA 125 Ca -0.14 -0.50 -0.01 0.00 0.00 0.00 0.00 51.96 51.31 3kip s ALA 125 Cb 0.06 0.82 0.03 0.00 0.00 0.00 0.00 23.12 24.03 3kip s ALA 125 CO 0.72 -0.71 0.04 0.54 0.00 0.00 0.00 175.76 176.36 3kip s VAL 126 N -3.90 -0.00 -0.11 0.00 0.11 -1.26 -1.54 120.40 113.70 3kip s VAL 126 Ca 0.12 0.32 0.02 0.00 -2.93 0.00 0.00 61.98 59.50 3kip s VAL 126 Cb 0.01 -0.21 -0.01 0.00 -1.53 0.00 0.00 36.38 34.65 3kip s VAL 126 CO -0.03 0.17 -0.18 -0.63 -3.33 0.00 0.00 175.10 171.10 3kip s ILE 127 N 1.85 2.58 -0.22 7.04 1.01 -0.88 -5.02 121.20 127.57 3kip s ILE 127 Ca 0.01 -0.84 -0.08 0.00 0.00 0.00 0.00 60.65 59.75 3kip s ILE 127 Cb -0.12 -2.04 0.09 0.00 0.01 0.00 0.00 42.46 40.40 3kip s ILE 127 CO -0.03 0.54 0.48 0.00 0.00 0.00 0.00 174.94 175.93 3kip n GLY 129 N 5.23 1.11 1.77 0.00 0.00 -0.90 -4.67 105.19 107.72 3kip n GLY 129 Ca -0.11 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.98 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 5.31 0.00 0.99 7.94 -1.22 -4.75 117.00 125.27 3kip n LEU 130 Ca 0.00 -2.69 0.00 0.00 -1.11 0.00 0.00 56.01 52.21 3kip n LEU 130 Cb 0.00 -0.65 0.00 0.00 0.53 0.00 0.00 43.42 43.30 3kip n LEU 130 CO 0.00 0.66 0.00 0.61 -1.11 0.00 0.00 177.39 177.55 3kip n GLY 131 N 0.74 1.72 0.21 -3.96 0.00 -0.80 -3.15 105.19 99.95 3kip n GLY 131 Ca 0.26 -0.50 -0.04 0.00 0.00 0.00 0.00 46.02 45.74 3kip n GLY 131 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kip h VAL 132 N 0.00 1.30 -1.30 1.61 2.07 -1.96 -2.81 116.25 115.16 3kip h VAL 132 Ca 0.00 -1.53 0.39 0.00 0.82 0.00 0.00 66.70 66.38 3kip h VAL 132 Cb 0.00 1.60 -0.09 0.00 -1.52 0.00 0.00 31.29 31.28 3kip h VAL 132 CO 0.00 0.47 0.88 0.22 0.02 0.00 0.00 177.57 179.16 3kip h TYR 133 N 0.34 0.37 -0.69 1.57 3.20 -1.96 -0.90 116.97 118.90 3kip h TYR 133 Ca 0.03 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.02 3kip h TYR 133 Cb 0.85 -0.10 -0.08 0.00 1.54 0.00 0.00 36.73 38.94 3kip h TYR 133 CO 0.02 -0.06 0.30 0.78 -1.64 0.00 0.00 178.16 177.57 3kip h GLY 134 N 0.14 1.02 0.22 1.82 0.00 -1.44 0.45 103.07 105.27 3kip h GLY 134 Ca 0.72 -0.17 0.09 0.00 0.00 0.00 0.00 47.33 47.96 3kip h GLY 134 CO -0.24 -0.00 -0.04 -0.97 0.00 0.00 0.00 176.54 175.29 3kip h TYR 135 N 0.51 -0.10 -0.58 5.60 0.05 -1.36 -1.77 116.97 119.32 3kip h TYR 135 Ca 0.35 0.04 0.08 0.00 0.05 0.00 0.00 58.73 59.25 3kip h TYR 135 Cb 0.43 0.11 -0.06 0.00 1.01 0.00 0.00 36.73 38.22 3kip h TYR 135 CO -0.14 -0.13 0.23 1.15 -1.05 0.00 0.00 178.16 178.23 3kip h THR 136 N 0.07 0.82 -0.19 -2.88 2.02 -1.04 -0.93 112.91 110.79 3kip h THR 136 Ca 0.22 -0.15 -0.18 0.00 0.77 0.00 0.00 66.41 67.07 3kip h THR 136 Cb 0.33 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.09 3kip h THR 136 CO -0.40 0.08 -0.60 0.00 0.37 0.00 0.00 175.52 174.97 3kip h ALA 137 N 1.37 0.59 -0.79 6.16 0.00 -0.96 -0.75 119.26 124.88 3kip h ALA 137 Ca 0.28 -0.54 0.15 0.00 0.00 0.00 0.00 54.91 54.80 3kip h ALA 137 Cb 0.30 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 17.93 3kip h ALA 137 CO -0.26 0.70 0.35 0.00 0.00 0.00 0.00 179.25 180.03 3kip h ALA 138 N 0.86 1.15 -0.28 0.00 0.00 -0.83 -2.27 119.26 117.89 3kip h ALA 138 Ca -0.00 0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 3kip h ALA 138 Cb 1.18 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3kip h ALA 138 CO 0.12 -0.18 -0.47 0.82 0.00 0.00 0.00 179.25 179.53 3kip h ILE 139 N 0.49 1.29 -0.98 0.00 2.04 -0.63 -0.88 117.51 118.85 3kip h ILE 139 Ca 0.44 -1.66 0.13 0.00 1.00 0.00 0.00 64.86 64.76 3kip h ILE 139 Cb 0.66 1.65 -0.08 0.00 -0.74 0.00 0.00 36.82 38.31 3kip h ILE 139 CO -0.40 0.54 0.62 -0.33 0.00 0.00 0.00 178.15 178.58 3kip h GLU 140 N 0.58 0.89 -0.20 2.37 4.39 -0.84 -1.22 114.58 120.55 3kip h GLU 140 Ca 0.02 -0.05 -0.14 0.00 0.34 0.00 0.00 59.36 59.52 3kip h GLU 140 Cb 1.08 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 3kip h GLU 140 CO 0.11 0.59 -0.44 -0.92 -1.16 0.00 0.00 179.01 177.18 3kip h TYR 141 N 0.92 0.82 0.20 4.33 5.03 -0.82 -2.73 116.97 124.72 3kip h TYR 141 Ca 0.49 -0.31 -0.01 0.00 2.58 0.00 0.00 58.73 61.48 3kip h TYR 141 Cb 0.56 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.69 3kip h TYR 141 CO -0.00 1.08 -0.09 0.00 -1.32 0.00 0.00 178.16 177.82 3kip h ALA 142 N 0.59 -0.26 0.00 1.82 0.00 -0.66 -1.87 119.26 118.87 3kip h ALA 142 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kip h ALA 142 Cb 1.05 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3kip h ALA 142 CO 0.10 -0.64 0.00 -0.07 0.00 0.00 0.00 179.25 178.64 3kip h LEU 143 N -0.28 0.00 -2.84 0.00 3.38 -1.23 -1.98 115.31 112.36 3kip h LEU 143 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3kip h LEU 143 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3kip h LEU 143 CO 0.04 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.16 3kip n ASN 144 N -2.62 3.66 -4.75 -0.43 4.13 -0.77 -4.22 115.26 110.25 3kip n ASN 144 Ca -0.01 -2.06 -0.40 0.00 1.68 0.00 0.00 54.58 53.79 3kip n ASN 144 Cb 0.12 -0.41 -0.05 0.00 -1.54 0.00 0.00 39.78 37.90 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 -1.11 3.75 0.32 3.10 5.04 -0.74 -4.85 117.35 122.86 3kip s TYR 145 Ca 0.40 1.48 -0.23 0.00 -2.44 0.00 0.00 57.07 56.28 3kip s TYR 145 Cb 0.21 -2.81 -0.10 0.00 0.35 0.00 0.00 41.96 39.62 3kip s TYR 145 CO 0.26 0.30 0.89 -0.65 -1.34 0.00 0.00 175.55 175.01 3kip s GLN 146 N -0.18 4.42 0.00 4.97 -0.21 -1.26 -0.67 119.66 126.74 3kip s GLN 146 Ca 0.38 1.16 0.08 0.00 0.02 0.00 0.00 55.36 57.00 3kip s GLN 146 Cb -0.21 -2.69 0.49 0.00 1.00 0.00 0.00 33.01 31.60 3kip s GLN 146 CO 0.23 0.24 0.94 1.28 -2.12 0.00 0.00 175.29 175.86