#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 2.64 0.00 4.08 1.01 -1.06 -4.98 120.40 122.09 3kip s VAL 1 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.52 3kip s VAL 1 Cb 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 33.07 3kip s VAL 1 CO 0.00 0.05 0.00 0.29 0.00 0.00 0.00 175.10 175.44 3kip n LYS 2 N -0.15 2.64 -4.04 2.72 4.76 -1.26 -4.78 118.16 118.05 3kip n LYS 2 Ca 0.05 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.18 3kip n LYS 2 Cb 0.45 -0.74 -0.15 0.00 -1.84 0.00 0.00 35.03 32.75 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 -1.17 1.87 -0.00 1.97 2.47 -1.26 0.07 119.74 123.69 3kip s LYS 3 Ca 0.00 -1.61 0.02 0.00 -1.56 0.00 0.00 55.97 52.82 3kip s LYS 3 Cb 0.00 -3.06 -0.03 0.00 -1.46 0.00 0.00 37.83 33.28 3kip s LYS 3 CO 0.00 -0.76 -0.03 0.08 0.16 0.00 0.00 175.35 174.81 3kip s VAL 4 N 1.01 3.96 -0.16 4.02 1.01 -0.19 -1.39 120.40 128.65 3kip s VAL 4 Ca 0.01 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.33 3kip s VAL 4 Cb -0.20 -2.75 -0.00 0.00 0.00 0.00 0.00 36.38 33.43 3kip s VAL 4 CO -0.06 0.39 -0.13 -0.22 0.00 0.00 0.00 175.10 175.07 3kip s LEU 5 N -1.48 2.56 -0.22 3.92 2.96 -0.54 -0.13 118.68 125.76 3kip s LEU 5 Ca 0.18 -0.45 -0.20 0.00 -0.22 0.00 0.00 54.13 53.44 3kip s LEU 5 Cb -0.11 -1.59 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 3kip s LEU 5 CO 0.09 0.07 0.62 -0.22 -1.32 0.00 0.00 176.35 175.59 3kip s LEU 6 N 0.89 4.11 -0.14 -0.68 2.96 0.11 -1.21 118.68 124.72 3kip s LEU 6 Ca -0.03 0.77 0.00 0.00 -0.22 0.00 0.00 54.13 54.65 3kip s LEU 6 Cb -0.15 -2.86 -0.01 0.00 0.50 0.00 0.00 46.19 43.67 3kip s LEU 6 CO -0.01 -0.30 -0.15 -0.63 -1.32 0.00 0.00 176.35 173.95 3kip s ILE 7 N 2.10 2.81 -0.07 6.68 1.01 -0.09 -1.11 121.20 132.53 3kip s ILE 7 Ca 0.27 -0.74 0.03 0.00 0.00 0.00 0.00 60.65 60.22 3kip s ILE 7 Cb -0.16 -2.18 -0.02 0.00 0.01 0.00 0.00 42.46 40.12 3kip s ILE 7 CO 0.10 0.52 -0.15 0.20 0.00 0.00 0.00 174.94 175.60 3kip s ASN 8 N 0.57 3.93 0.00 3.58 -0.87 0.15 -0.58 114.94 121.72 3kip s ASN 8 Ca -0.09 -0.25 0.00 0.00 -1.57 0.00 0.00 52.86 50.95 3kip s ASN 8 Cb -0.16 -0.99 0.00 0.00 -0.02 0.00 0.00 41.25 40.08 3kip s ASN 8 CO 0.03 0.30 0.00 0.61 -2.57 0.00 0.00 177.10 175.47 3kip n GLY 9 N 2.62 0.88 3.73 0.66 0.00 0.86 -2.46 105.19 111.48 3kip n GLY 9 Ca -0.17 -1.82 -0.34 0.00 0.00 0.00 0.00 46.02 43.69 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 1.77 2.27 0.00 1.61 0.04 -1.11 -2.60 135.00 136.98 3kip s PRO 10 Ca 0.00 1.65 0.00 0.00 0.04 0.00 0.00 61.00 62.69 3kip s PRO 10 Cb 0.00 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.68 3kip s PRO 10 CO 0.00 -1.71 0.00 0.09 0.04 0.00 0.00 177.00 175.42 3kip n ASN 11 N -2.71 0.00 -0.25 6.66 3.02 -1.26 -4.58 115.26 116.14 3kip n ASN 11 Ca 0.12 0.00 0.28 0.00 -0.03 0.00 0.00 54.58 54.95 3kip n ASN 11 Cb 0.51 -0.06 0.66 0.00 -0.61 0.00 0.00 39.78 40.27 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 0.14 -1.74 3.41 3.38 -1.87 0.40 115.31 119.04 3kip h LEU 12 Ca 0.00 0.02 0.26 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 0.04 0.82 -0.55 0.09 0.00 0.00 178.44 178.84 3kip h ASN 13 N 0.13 0.00 -0.35 -0.43 7.08 -1.86 -2.24 115.58 117.91 3kip h ASN 13 Ca 0.50 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.72 3kip h ASN 13 Cb 1.74 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.98 3kip h ASN 13 CO -0.09 0.00 0.00 0.18 -2.08 0.00 0.00 177.43 175.44 3kip n LEU 14 N -3.73 2.75 -4.76 6.14 4.77 0.14 -4.56 117.00 117.75 3kip n LEU 14 Ca 0.19 -1.22 -0.40 0.00 -0.03 0.00 0.00 56.01 54.54 3kip n LEU 14 Cb 1.12 -0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 41.94 3kip n LEU 14 CO 0.31 0.61 0.83 -1.48 -1.33 0.00 0.00 177.39 176.33 3kip s LEU 15 N -1.40 4.46 -0.49 2.23 2.34 -0.84 -0.53 118.68 124.45 3kip s LEU 15 Ca 0.36 2.35 0.03 0.00 0.06 0.00 0.00 54.13 56.93 3kip s LEU 15 Cb 0.20 -3.71 0.13 0.00 -0.56 0.00 0.00 46.19 42.25 3kip s LEU 15 CO 0.28 -0.30 0.24 -0.83 -1.06 0.00 0.00 176.35 174.68 3kip s GLY 16 N -0.87 2.23 0.01 -3.48 0.00 -1.15 -3.01 107.32 101.04 3kip s GLY 16 Ca 0.48 -3.06 0.24 0.00 0.00 0.00 0.00 44.72 42.37 3kip s GLY 16 CO 0.42 1.14 1.26 2.41 0.00 0.00 0.00 173.10 178.32 3kip n THR 17 N 3.29 0.02 -0.11 0.90 -1.04 0.31 -4.69 114.28 112.96 3kip n THR 17 Ca 0.06 -0.03 -0.22 0.00 -2.04 0.00 0.00 64.05 61.82 3kip n THR 17 Cb 0.33 0.42 -0.09 0.00 -1.82 0.00 0.00 70.33 69.17 3kip n THR 17 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 3kip n ARG 18 N -1.55 0.56 0.00 -2.82 0.63 -1.26 -5.19 116.66 107.03 3kip n ARG 18 Ca 0.05 0.42 0.08 0.00 -0.92 0.00 0.00 57.85 57.48 3kip n ARG 18 Cb 0.34 -1.62 -0.08 0.00 0.45 0.00 0.00 32.46 31.56 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 -4.38 0.00 -4.49 -0.14 9.36 -1.26 -5.13 117.16 111.12 3kip n TYR 23 Ca -0.37 0.00 -0.30 0.00 3.32 0.00 0.00 57.90 60.55 3kip n TYR 23 Cb 0.71 0.00 -0.12 0.00 -0.63 0.00 0.00 39.34 39.30 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 -2.41 1.62 0.00 2.98 0.00 -1.26 -4.97 107.32 103.28 3kip s GLY 24 Ca 0.07 -1.28 0.00 0.00 0.00 0.00 0.00 44.72 43.51 3kip s GLY 24 CO 0.61 -1.22 0.00 -1.30 0.00 0.00 0.00 173.10 171.20 3kip n THR 25 N 1.18 0.00 -2.76 0.90 -2.24 -1.26 -4.61 114.28 105.49 3kip n THR 25 Ca -0.16 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.19 3kip n THR 25 Cb 0.52 -0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 68.70 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 -0.09 4.42 0.67 4.28 2.01 -1.26 -4.68 115.64 120.99 3kip s THR 26 Ca 0.00 0.91 -0.05 0.00 0.31 0.00 0.00 61.69 62.86 3kip s THR 26 Cb 0.00 -4.47 0.05 0.00 0.01 0.00 0.00 72.50 68.10 3kip s THR 26 CO 0.00 -0.85 0.96 -0.94 -0.69 0.00 0.00 174.62 173.10 3kip s SER 27 N 2.28 4.93 0.31 3.53 1.04 -1.26 -2.95 113.70 121.57 3kip s SER 27 Ca 0.40 0.34 0.04 0.00 0.48 0.00 0.00 55.95 57.22 3kip s SER 27 Cb -0.10 -1.05 0.50 0.00 0.10 0.00 0.00 66.02 65.47 3kip s SER 27 CO 0.27 -1.49 1.77 0.25 0.98 0.00 0.00 173.24 175.02 3kip h LEU 28 N -0.44 0.42 -1.08 2.42 5.85 -1.77 -2.51 115.31 118.20 3kip h LEU 28 Ca -0.44 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.12 3kip h LEU 28 Cb 1.31 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 3kip h LEU 28 CO 0.58 0.64 0.25 -1.28 -0.34 0.00 0.00 178.44 178.30 3kip h SER 29 N 0.38 0.83 0.77 1.25 0.87 -1.92 -1.90 113.55 113.84 3kip h SER 29 Ca 0.06 -0.11 -0.04 0.00 -1.23 0.00 0.00 61.79 60.48 3kip h SER 29 Cb 0.59 -0.21 0.01 0.00 -0.44 0.00 0.00 62.40 62.34 3kip h SER 29 CO 0.04 0.74 -0.37 0.44 -0.53 0.00 0.00 176.83 177.15 3kip h ASP 30 N 0.89 -0.88 -1.07 6.23 3.32 -1.82 -1.86 116.42 121.24 3kip h ASP 30 Ca 0.21 0.03 0.40 0.00 0.02 0.00 0.00 57.03 57.70 3kip h ASP 30 Cb 0.17 0.23 -0.16 0.00 0.22 0.00 0.00 39.33 39.78 3kip h ASP 30 CO -0.02 -0.60 0.61 0.40 -1.72 0.00 0.00 179.24 177.91 3kip h ILE 31 N -1.10 0.08 0.00 0.35 2.04 -1.39 0.97 117.51 118.47 3kip h ILE 31 Ca -0.11 -0.03 -0.05 0.00 1.00 0.00 0.00 64.86 65.67 3kip h ILE 31 Cb 0.80 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3kip h ILE 31 CO 0.17 0.02 -0.20 -0.33 0.00 0.00 0.00 178.15 177.81 3kip h GLU 32 N 0.08 0.13 -0.39 2.37 5.08 -1.18 -2.09 114.58 118.58 3kip h GLU 32 Ca 0.82 -0.14 0.05 0.00 -1.00 0.00 0.00 59.36 59.09 3kip h GLU 32 Cb 2.21 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 31.45 3kip h GLU 32 CO -0.67 0.91 0.12 1.96 -1.00 0.00 0.00 179.01 180.33 3kip h GLN 33 N -0.60 0.26 -0.94 2.33 1.08 -0.67 0.26 115.11 116.84 3kip h GLN 33 Ca -0.03 -0.02 0.05 0.00 -1.45 0.00 0.00 58.65 57.21 3kip h GLN 33 Cb 0.99 -0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 28.30 3kip h GLN 33 CO 0.04 0.17 0.60 0.00 -0.95 0.00 0.00 178.83 178.70 3kip h ALA 34 N 1.27 1.27 -0.16 3.87 0.00 -0.84 -1.41 119.26 123.25 3kip h ALA 34 Ca 0.18 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 3kip h ALA 34 Cb 0.18 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3kip h ALA 34 CO -0.20 0.42 -0.61 0.00 0.00 0.00 0.00 179.25 178.87 3kip h ALA 35 N 1.41 0.65 -0.41 0.00 0.00 -0.77 -0.89 119.26 119.25 3kip h ALA 35 Ca 0.39 -0.54 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 3kip h ALA 35 Cb 0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3kip h ALA 35 CO -0.15 0.71 -0.14 0.82 0.00 0.00 0.00 179.25 180.48 3kip h ILE 36 N 0.40 1.26 0.00 0.00 2.04 0.12 -3.07 117.51 118.26 3kip h ILE 36 Ca -0.00 -1.21 -0.12 0.00 1.00 0.00 0.00 64.86 64.52 3kip h ILE 36 Cb 1.16 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 3kip h ILE 36 CO 0.11 0.41 -0.56 -0.33 0.00 0.00 0.00 178.15 177.78 3kip h GLU 37 N 0.68 0.00 -0.46 2.37 4.39 -1.20 -2.84 114.58 117.52 3kip h GLU 37 Ca 0.11 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.79 3kip h GLU 37 Cb 0.63 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 3kip h GLU 37 CO 0.04 0.56 0.22 0.37 -1.16 0.00 0.00 179.01 179.04 3kip h GLN 38 N 0.00 0.66 -0.10 2.33 4.15 -1.05 -1.40 115.11 119.70 3kip h GLN 38 Ca -0.01 -0.10 -0.03 0.00 0.77 0.00 0.00 58.65 59.29 3kip h GLN 38 Cb 1.26 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.83 3kip h GLN 38 CO 0.07 0.57 -0.04 0.00 -1.93 0.00 0.00 178.83 177.50 3kip h ALA 39 N 1.06 0.14 -0.98 3.38 0.00 -1.61 -3.00 119.26 118.24 3kip h ALA 39 Ca 0.16 -0.24 0.17 0.00 0.00 0.00 0.00 54.91 55.00 3kip h ALA 39 Cb 0.13 -0.03 -0.17 0.00 0.00 0.00 0.00 17.79 17.71 3kip h ALA 39 CO -0.02 -0.11 -0.32 0.87 0.00 0.00 0.00 179.25 179.67 3kip h LYS 40 N -0.15 -0.00 -0.24 0.00 1.79 -1.33 -1.08 116.57 115.56 3kip h LYS 40 Ca 0.02 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.43 3kip h LYS 40 Cb 0.47 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.11 3kip h LYS 40 CO 0.01 -0.00 -0.14 1.25 -1.08 0.00 0.00 179.45 179.49 3kip h LEU 41 N -0.00 0.38 -2.22 2.94 6.46 -1.23 -2.00 115.31 119.64 3kip h LEU 41 Ca 0.41 -0.09 0.01 0.00 -0.12 0.00 0.00 57.88 58.08 3kip h LEU 41 Cb 0.66 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.48 3kip h LEU 41 CO -1.00 0.55 0.26 0.11 -0.62 0.00 0.00 178.44 177.75 3kip h LYS 42 N 0.37 0.00 0.00 1.25 1.79 -1.05 -3.44 116.57 115.48 3kip h LYS 42 Ca 0.07 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 3kip h LYS 42 Cb 0.46 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 3kip h LYS 42 CO 0.03 0.00 0.00 -1.71 -1.08 0.00 0.00 179.45 176.69 3kip n ASN 43 N -3.01 0.00 -2.14 0.86 5.15 -0.75 -4.87 115.26 110.50 3kip n ASN 43 Ca -0.02 0.00 -0.18 0.00 -0.60 0.00 0.00 54.58 53.78 3kip n ASN 43 Cb 0.32 -0.09 0.03 0.00 -0.53 0.00 0.00 39.78 39.51 3kip n ASN 43 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 3kip n ASN 44 N 0.00 4.11 -2.13 1.20 0.23 -1.26 -4.96 115.26 112.45 3kip n ASN 44 Ca 0.00 -3.39 -0.15 0.00 -0.53 0.00 0.00 54.58 50.51 3kip n ASN 44 Cb 0.00 -0.37 0.03 0.00 -2.08 0.00 0.00 39.78 37.35 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 -0.69 -4.65 -4.94 0.53 8.00 -1.26 -5.01 116.55 108.53 3kip n ASP 45 Ca 0.35 -0.21 -0.25 0.00 0.71 0.00 0.00 54.79 55.40 3kip n ASP 45 Cb 0.93 -3.50 0.05 0.00 -0.02 0.00 0.00 41.12 38.58 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 -2.84 5.14 -0.26 -2.24 0.01 -1.26 -4.85 113.70 107.41 3kip s SER 46 Ca 0.22 0.41 -0.25 0.00 1.31 0.00 0.00 55.95 57.63 3kip s SER 46 Cb -0.10 -1.22 0.07 0.00 0.21 0.00 0.00 66.02 64.99 3kip s SER 46 CO 0.27 -1.33 0.71 -0.70 0.41 0.00 0.00 173.24 172.60 3kip s GLU 47 N -5.05 0.85 -0.22 12.44 2.12 0.11 -4.63 118.70 124.32 3kip s GLU 47 Ca 0.57 0.95 -0.01 0.00 0.36 0.00 0.00 54.97 56.84 3kip s GLU 47 Cb -0.11 0.41 0.01 0.00 0.26 0.00 0.00 34.13 34.71 3kip s GLU 47 CO 0.43 -0.11 -0.10 0.08 -0.54 0.00 0.00 175.26 175.02 3kip s VAL 48 N 0.29 2.77 0.27 3.70 1.01 -1.26 -1.03 120.40 126.15 3kip s VAL 48 Ca -0.01 -0.83 -0.11 0.00 0.00 0.00 0.00 61.98 61.03 3kip s VAL 48 Cb -0.05 -2.30 -0.08 0.00 0.00 0.00 0.00 36.38 33.96 3kip s VAL 48 CO 0.02 0.37 0.61 -0.76 0.00 0.00 0.00 175.10 175.34 3kip s LEU 49 N 1.36 4.12 0.08 3.92 1.43 0.82 -4.68 118.68 125.73 3kip s LEU 49 Ca 0.03 1.01 0.06 0.00 -1.03 0.00 0.00 54.13 54.21 3kip s LEU 49 Cb -0.15 -3.80 -0.03 0.00 0.03 0.00 0.00 46.19 42.24 3kip s LEU 49 CO -0.07 -0.13 -0.17 0.68 0.23 0.00 0.00 176.35 176.89 3kip s VAL 50 N -1.91 1.35 -0.04 -1.59 -7.23 -1.26 0.07 120.40 109.80 3kip s VAL 50 Ca 0.49 -1.40 -0.21 0.00 -1.81 0.00 0.00 61.98 59.05 3kip s VAL 50 Cb -0.11 -1.27 0.04 0.00 0.56 0.00 0.00 36.38 35.61 3kip s VAL 50 CO 0.21 -0.16 0.46 0.12 -0.31 0.00 0.00 175.10 175.43 3kip s PHE 51 N -1.22 -0.39 -0.18 2.82 5.36 -0.27 -4.93 117.98 119.18 3kip s PHE 51 Ca 0.01 0.66 -0.15 0.00 -0.96 0.00 0.00 56.93 56.50 3kip s PHE 51 Cb -0.10 0.22 0.05 0.00 -0.34 0.00 0.00 43.02 42.85 3kip s PHE 51 CO 0.03 -0.47 0.46 -1.14 -1.46 0.00 0.00 175.22 172.65 3kip s GLN 52 N -1.17 0.52 0.11 10.12 -0.44 -1.26 -0.67 119.66 126.87 3kip s GLN 52 Ca -0.12 0.68 -0.16 0.00 -2.50 0.00 0.00 55.36 53.27 3kip s GLN 52 Cb -0.03 0.22 0.03 0.00 -1.64 0.00 0.00 33.01 31.59 3kip s GLN 52 CO 0.06 -0.08 0.38 0.45 0.50 0.00 0.00 175.29 176.60 3kip s SER 53 N 0.46 -0.21 0.00 6.67 0.15 -1.03 -5.00 113.70 114.74 3kip s SER 53 Ca -0.02 -0.29 0.20 0.00 0.70 0.00 0.00 55.95 56.54 3kip s SER 53 Cb -0.04 0.45 -0.21 0.00 -1.71 0.00 0.00 66.02 64.51 3kip s SER 53 CO -0.02 -0.80 0.85 0.59 1.20 0.00 0.00 173.24 175.06 3kip n ASN 54 N -0.07 0.98 -4.63 5.45 3.02 -1.26 -2.74 115.26 116.01 3kip n ASN 54 Ca -0.16 -0.99 -0.39 0.00 -0.03 0.00 0.00 54.58 53.00 3kip n ASN 54 Cb 0.63 0.98 -0.08 0.00 -0.61 0.00 0.00 39.78 40.70 3kip n ASN 54 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3kip s THR 55 N -2.85 5.13 0.13 3.41 2.01 -1.26 -4.67 115.64 117.54 3kip s THR 55 Ca 0.08 0.77 -0.27 0.00 0.31 0.00 0.00 61.69 62.58 3kip s THR 55 Cb 0.15 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 3kip s THR 55 CO 0.80 0.16 1.60 -0.08 -0.69 0.00 0.00 174.62 176.41 3kip h GLU 56 N 7.82 -0.43 -0.43 4.92 4.81 -2.00 -2.13 114.58 127.14 3kip h GLU 56 Ca -0.32 0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.02 3kip h GLU 56 Cb 1.15 0.10 -0.08 0.00 0.63 0.00 0.00 28.75 30.56 3kip h GLU 56 CO 0.70 -0.29 -0.05 0.78 -0.73 0.00 0.00 179.01 179.43 3kip h GLY 57 N -0.45 0.38 -0.21 1.92 0.00 -1.99 0.12 103.07 102.84 3kip h GLY 57 Ca 0.08 0.09 0.26 0.00 0.00 0.00 0.00 47.33 47.76 3kip h GLY 57 CO -0.36 -0.14 0.58 0.74 0.00 0.00 0.00 176.54 177.37 3kip h PHE 58 N 0.06 0.99 -0.23 5.60 0.04 -1.95 0.69 116.94 122.15 3kip h PHE 58 Ca 0.21 0.04 -0.14 0.00 2.80 0.00 0.00 57.97 60.88 3kip h PHE 58 Cb 0.32 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.19 3kip h PHE 58 CO -0.32 0.02 -0.41 0.82 -0.60 0.00 0.00 178.31 177.82 3kip h ILE 59 N 0.54 1.31 -0.66 -0.55 2.04 -0.10 -1.61 117.51 118.48 3kip h ILE 59 Ca 0.66 -1.63 0.09 0.00 1.00 0.00 0.00 64.86 64.99 3kip h ILE 59 Cb 1.29 1.79 -0.07 0.00 -0.74 0.00 0.00 36.82 39.09 3kip h ILE 59 CO -0.50 0.51 0.30 0.40 0.00 0.00 0.00 178.15 178.86 3kip h ILE 60 N 0.39 0.82 -0.68 -0.67 2.04 -0.78 -1.33 117.51 117.29 3kip h ILE 60 Ca 0.01 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.71 3kip h ILE 60 Cb 1.01 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 3kip h ILE 60 CO 0.09 0.09 0.45 0.44 0.00 0.00 0.00 178.15 179.23 3kip h ASP 61 N 0.52 0.75 -0.08 1.72 3.32 0.57 -0.43 116.42 122.79 3kip h ASP 61 Ca 0.33 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.28 3kip h ASP 61 Cb 0.37 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3kip h ASP 61 CO -0.28 0.53 -0.29 -0.09 -1.72 0.00 0.00 179.24 177.39 3kip h ARG 62 N 0.88 0.33 -0.85 3.56 1.12 -0.39 -1.57 114.38 117.46 3kip h ARG 62 Ca 0.26 -0.25 0.01 0.00 -1.11 0.00 0.00 59.98 58.89 3kip h ARG 62 Cb -0.04 0.05 -0.04 0.00 -0.01 0.00 0.00 29.97 29.92 3kip h ARG 62 CO -0.06 0.88 0.56 0.82 -3.11 0.00 0.00 179.97 179.06 3kip h ILE 63 N -0.15 1.20 -0.22 1.20 2.04 -1.04 0.24 117.51 120.78 3kip h ILE 63 Ca -0.01 -0.39 0.05 0.00 1.00 0.00 0.00 64.86 65.51 3kip h ILE 63 Cb 0.92 -0.03 -0.05 0.00 -0.74 0.00 0.00 36.82 36.93 3kip h ILE 63 CO 0.06 0.21 -0.08 0.45 0.00 0.00 0.00 178.15 178.79 3kip h HIS 64 N 1.13 -0.17 -0.02 1.37 3.86 -0.74 -2.78 115.15 117.80 3kip h HIS 64 Ca 0.32 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.45 3kip h HIS 64 Cb -0.10 0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 3kip h HIS 64 CO -0.01 -0.12 -0.46 1.05 0.86 0.00 0.00 177.93 179.24 3kip h GLU 65 N -0.03 0.05 -0.98 2.45 4.11 -0.28 -2.46 114.58 117.43 3kip h GLU 65 Ca 0.11 -0.03 0.29 0.00 0.07 0.00 0.00 59.36 59.81 3kip h GLU 65 Cb 0.20 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.31 3kip h GLU 65 CO -0.25 0.51 0.51 0.00 0.07 0.00 0.00 179.01 179.85 3kip h ALA 66 N 1.49 1.81 0.13 1.06 0.00 -0.29 0.16 119.26 123.62 3kip h ALA 66 Ca -0.00 0.19 -0.30 0.00 0.00 0.00 0.00 54.91 54.80 3kip h ALA 66 Cb 0.84 0.16 0.03 0.00 0.00 0.00 0.00 17.79 18.82 3kip h ALA 66 CO 0.06 -0.51 -1.24 -0.22 0.00 0.00 0.00 179.25 177.35 3kip h LYS 67 N 0.34 0.61 -0.40 0.00 3.64 -1.34 0.12 116.57 119.54 3kip h LYS 67 Ca 0.69 -0.83 0.03 0.00 -1.27 0.00 0.00 60.65 59.27 3kip h LYS 67 Cb 1.51 0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 33.58 3kip h LYS 67 CO -0.60 1.38 0.27 0.00 -2.27 0.00 0.00 179.45 178.23 3kip h ARG 68 N 0.24 0.41 0.00 1.90 3.08 -1.15 -2.02 114.38 116.84 3kip h ARG 68 Ca -0.19 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.83 3kip h ARG 68 Cb 1.92 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.87 3kip h ARG 68 CO 0.24 0.27 -0.06 1.04 -1.07 0.00 0.00 179.97 180.39 3kip n GLN 69 N -4.48 0.01 -1.76 0.04 6.02 0.45 -4.95 117.38 112.72 3kip n GLN 69 Ca 0.04 0.01 -0.03 0.00 -0.01 0.00 0.00 57.00 57.01 3kip n GLN 69 Cb 0.16 -1.51 -0.01 0.00 1.02 0.00 0.00 30.24 29.90 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 1.49 0.36 3.72 1.08 0.00 -0.56 -5.00 105.19 106.28 3kip n GLY 70 Ca 0.07 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.16 2.08 -0.11 1.61 1.01 0.31 -4.74 120.40 118.41 3kip s VAL 71 Ca 0.00 0.06 0.22 0.00 0.00 0.00 0.00 61.98 62.26 3kip s VAL 71 Cb 0.00 -3.04 -0.22 0.00 0.00 0.00 0.00 36.38 33.12 3kip s VAL 71 CO 0.00 0.01 0.64 0.61 0.00 0.00 0.00 175.10 176.35 3kip n GLY 72 N 3.68 -1.15 3.26 4.51 0.00 -0.49 -4.75 105.19 110.26 3kip n GLY 72 Ca 0.15 -0.40 -0.14 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.37 -0.26 -0.04 1.61 2.19 -1.19 -4.27 117.98 112.65 3kip s PHE 73 Ca -0.06 0.49 0.07 0.00 0.33 0.00 0.00 56.93 57.76 3kip s PHE 73 Cb 0.12 0.13 -0.01 0.00 -1.31 0.00 0.00 43.02 41.94 3kip s PHE 73 CO 0.86 -0.36 -0.24 0.08 1.83 0.00 0.00 175.22 177.39 3kip s VAL 74 N -0.98 1.96 -0.26 3.12 1.01 -0.45 -1.47 120.40 123.33 3kip s VAL 74 Ca -0.10 -1.03 -0.02 0.00 0.00 0.00 0.00 61.98 60.82 3kip s VAL 74 Cb -0.04 -1.64 0.03 0.00 0.00 0.00 0.00 36.38 34.72 3kip s VAL 74 CO 0.04 0.55 -0.04 -0.69 0.00 0.00 0.00 175.10 174.96 3kip s VAL 75 N -0.33 2.98 -0.06 2.92 1.01 -0.35 -1.36 120.40 125.21 3kip s VAL 75 Ca 0.02 -1.08 0.06 0.00 0.00 0.00 0.00 61.98 60.98 3kip s VAL 75 Cb -0.12 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.70 3kip s VAL 75 CO 0.02 0.12 -0.24 -0.51 0.00 0.00 0.00 175.10 174.49 3kip s ILE 76 N 1.32 1.96 -0.38 2.22 2.07 -0.26 -0.91 121.20 127.23 3kip s ILE 76 Ca -0.01 -1.01 0.02 0.00 -1.41 0.00 0.00 60.65 58.23 3kip s ILE 76 Cb -0.17 -1.67 0.11 0.00 0.13 0.00 0.00 42.46 40.85 3kip s ILE 76 CO -0.03 0.55 0.12 0.21 -1.91 0.00 0.00 174.94 173.87 3kip s ASN 77 N -0.09 4.92 0.00 4.50 3.84 0.25 -0.40 114.94 127.95 3kip s ASN 77 Ca -0.05 -2.17 0.30 0.00 0.21 0.00 0.00 52.86 51.16 3kip s ASN 77 Cb -0.14 -1.70 1.71 0.00 -0.55 0.00 0.00 41.25 40.57 3kip s ASN 77 CO 0.04 -0.43 2.11 0.00 -2.79 0.00 0.00 177.10 176.03 3kip n ALA 78 N 4.30 2.66 -0.69 1.71 0.00 -1.26 -0.10 120.51 127.13 3kip n ALA 78 Ca 0.02 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3kip n ALA 78 Cb 0.41 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.42 3kip n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kip n GLY 79 N 1.01 1.68 0.36 0.00 0.00 -1.26 -1.50 105.19 105.48 3kip n GLY 79 Ca 0.22 -0.48 0.28 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.69 2.17 0.00 4.61 0.00 -1.94 0.20 119.26 123.61 3kip h ALA 80 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3kip h ALA 80 Cb 0.00 0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3kip h ALA 80 CO 0.00 -0.81 0.06 1.88 0.00 0.00 0.00 179.25 180.38 3kip h TYR 81 N 0.21 0.00 -0.95 0.00 0.05 -1.65 -0.42 116.97 114.21 3kip h TYR 81 Ca 0.77 0.00 0.16 0.00 0.05 0.00 0.00 58.73 59.71 3kip h TYR 81 Cb 1.96 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 39.62 3kip h TYR 81 CO -0.01 0.00 0.60 1.15 -1.05 0.00 0.00 178.16 178.86 3kip h THR 82 N 0.00 0.80 0.00 -2.88 2.02 -0.65 -0.10 112.91 112.09 3kip h THR 82 Ca 0.00 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.92 3kip h THR 82 Cb 0.12 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.52 3kip h THR 82 CO 0.00 0.14 -1.43 1.41 0.37 0.00 0.00 175.52 176.00 3kip n HIS 83 N -4.62 0.02 0.04 3.16 8.25 -0.17 -0.40 115.22 121.49 3kip n HIS 83 Ca 0.20 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.68 3kip n HIS 83 Cb 0.50 -0.24 -0.02 0.00 1.12 0.00 0.00 29.99 31.35 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 -1.85 0.00 -3.13 1.59 -2.24 -1.09 -4.75 114.28 102.79 3kip n THR 84 Ca 0.00 -0.17 -0.45 0.00 -2.27 0.00 0.00 64.05 61.16 3kip n THR 84 Cb 0.44 0.58 -0.02 0.00 -2.10 0.00 0.00 70.33 69.23 3kip n THR 84 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3kip s SER 85 N -2.06 6.68 0.35 3.42 0.15 -0.07 -4.84 113.70 117.34 3kip s SER 85 Ca -0.01 -2.35 0.08 0.00 0.70 0.00 0.00 55.95 54.38 3kip s SER 85 Cb 0.02 -2.30 0.65 0.00 -1.71 0.00 0.00 66.02 62.68 3kip s SER 85 CO 0.13 -0.82 1.84 0.58 1.20 0.00 0.00 173.24 176.16 3kip h VAL 86 N 5.31 1.22 -0.13 4.45 2.07 -1.93 -2.97 116.25 124.26 3kip h VAL 86 Ca 0.12 -1.03 -0.00 0.00 0.82 0.00 0.00 66.70 66.60 3kip h VAL 86 Cb 1.03 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 3kip h VAL 86 CO 0.93 0.32 0.08 1.23 0.02 0.00 0.00 177.57 180.15 3kip h GLY 87 N 0.91 0.19 0.71 2.17 0.00 -1.98 0.17 103.07 105.25 3kip h GLY 87 Ca 0.04 -0.08 0.06 0.00 0.00 0.00 0.00 47.33 47.36 3kip h GLY 87 CO 0.04 0.07 0.49 -2.22 0.00 0.00 0.00 176.54 174.92 3kip h ILE 88 N 0.15 1.02 0.12 2.60 2.04 -1.91 0.20 117.51 121.73 3kip h ILE 88 Ca 0.05 -0.31 0.02 0.00 1.00 0.00 0.00 64.86 65.62 3kip h ILE 88 Cb 0.02 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.11 3kip h ILE 88 CO -0.01 0.16 -0.27 -0.09 0.00 0.00 0.00 178.15 177.94 3kip h ARG 89 N 0.89 -0.46 -0.08 2.37 2.43 -1.19 -1.77 114.38 116.58 3kip h ARG 89 Ca 0.35 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.58 3kip h ARG 89 Cb 0.18 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3kip h ARG 89 CO -0.17 -0.31 0.07 -0.44 -1.51 0.00 0.00 179.97 177.60 3kip h ASP 90 N -0.48 0.00 -0.09 -3.80 5.19 -0.20 0.12 116.42 117.15 3kip h ASP 90 Ca 0.03 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.33 3kip h ASP 90 Cb 0.51 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.02 3kip h ASP 90 CO -0.16 0.00 -0.39 0.00 -3.12 0.00 0.00 179.24 175.57 3kip h ALA 91 N 1.94 0.17 -0.42 3.45 0.00 -0.05 0.49 119.26 124.84 3kip h ALA 91 Ca 0.04 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 3kip h ALA 91 Cb 0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3kip h ALA 91 CO -0.00 0.28 0.01 -0.07 0.00 0.00 0.00 179.25 179.47 3kip h LEU 92 N -0.02 0.71 -0.30 0.00 3.38 -0.88 -1.64 115.31 116.57 3kip h LEU 92 Ca -0.02 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 3kip h LEU 92 Cb 1.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 3kip h LEU 92 CO 0.08 0.83 0.09 -0.07 0.09 0.00 0.00 178.44 179.47 3kip h LEU 93 N 0.56 0.44 -1.60 1.67 3.38 -0.80 0.28 115.31 119.25 3kip h LEU 93 Ca 0.12 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3kip h LEU 93 Cb 0.46 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3kip h LEU 93 CO 0.02 0.54 0.00 1.23 0.09 0.00 0.00 178.44 180.32 3kip h GLY 94 N 0.33 0.00 0.00 0.83 0.00 0.37 -2.61 103.07 101.98 3kip h GLY 94 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 3kip h GLY 94 CO -0.00 0.00 -1.23 -1.30 0.00 0.00 0.00 176.54 174.01 3kip n THR 95 N -2.63 0.00 -1.78 4.70 -2.24 -0.65 -5.01 114.28 106.68 3kip n THR 95 Ca -0.00 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3kip n THR 95 Cb 0.16 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 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 -1.68 0.00 -2.64 6.98 0.00 0.07 -5.00 120.51 118.25 3kip n ALA 96 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 3kip n ALA 96 Cb 0.15 -0.48 -0.04 0.00 0.00 0.00 0.00 19.45 19.08 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 -2.00 4.81 0.74 0.00 1.01 -1.12 -5.03 121.20 119.61 3kip s ILE 97 Ca 0.00 1.49 -0.15 0.00 0.00 0.00 0.00 60.65 61.99 3kip s ILE 97 Cb 0.00 -4.13 0.05 0.00 0.01 0.00 0.00 42.46 38.38 3kip s ILE 97 CO 0.00 -0.13 1.25 -2.16 0.00 0.00 0.00 174.94 173.90 3kip s PRO 98 N 2.90 1.98 0.08 2.79 0.04 -1.26 -4.79 135.00 136.74 3kip s PRO 98 Ca 0.35 1.90 -0.12 0.00 0.04 0.00 0.00 61.00 63.17 3kip s PRO 98 Cb -0.15 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.60 3kip s PRO 98 CO 0.09 -1.99 0.26 -0.59 0.04 0.00 0.00 177.00 174.81 3kip s PHE 99 N -1.82 0.00 0.01 0.56 -0.71 -1.26 -1.34 117.98 113.42 3kip s PHE 99 Ca 0.77 -0.30 0.06 0.00 -1.04 0.00 0.00 56.93 56.42 3kip s PHE 99 Cb -0.33 0.05 -0.03 0.00 -1.21 0.00 0.00 43.02 41.50 3kip s PHE 99 CO 0.46 -0.55 -0.16 0.42 -1.34 0.00 0.00 175.22 174.06 3kip s ILE 100 N -3.32 2.94 -0.23 -4.49 1.01 -0.47 -0.04 121.20 116.61 3kip s ILE 100 Ca 0.01 -1.00 -0.07 0.00 0.00 0.00 0.00 60.65 59.58 3kip s ILE 100 Cb 0.02 -2.21 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 3kip s ILE 100 CO -0.08 0.43 0.05 -0.70 0.00 0.00 0.00 174.94 174.64 3kip s GLU 101 N -1.20 3.69 -0.08 2.79 2.12 -0.84 -1.10 118.70 124.08 3kip s GLU 101 Ca 0.14 -0.47 0.01 0.00 0.36 0.00 0.00 54.97 55.01 3kip s GLU 101 Cb -0.11 -3.25 -0.02 0.00 0.26 0.00 0.00 34.13 31.01 3kip s GLU 101 CO 0.04 -0.08 -0.11 0.08 -0.54 0.00 0.00 175.26 174.65 3kip s VAL 102 N 1.30 3.31 -0.09 3.70 1.01 0.46 -1.32 120.40 128.76 3kip s VAL 102 Ca 0.05 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.45 3kip s VAL 102 Cb -0.15 -2.35 0.01 0.00 0.00 0.00 0.00 36.38 33.89 3kip s VAL 102 CO 0.03 0.57 -0.18 -1.00 0.00 0.00 0.00 175.10 174.52 3kip s HIS 103 N -0.38 2.05 0.17 5.22 3.76 -0.36 -4.26 115.29 121.48 3kip s HIS 103 Ca 0.05 -0.86 -0.15 0.00 -0.15 0.00 0.00 55.06 53.95 3kip s HIS 103 Cb -0.12 -1.43 0.12 0.00 1.11 0.00 0.00 32.58 32.26 3kip s HIS 103 CO 0.02 -0.40 1.72 0.82 -0.85 0.00 0.00 174.74 176.06 3kip h ILE 104 N 5.87 0.77 -0.84 0.60 2.04 -1.87 -2.01 117.51 122.07 3kip h ILE 104 Ca -0.27 -0.07 -0.53 0.00 1.00 0.00 0.00 64.86 64.99 3kip h ILE 104 Cb 1.20 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 3kip h ILE 104 CO 0.48 0.04 -0.25 0.42 0.00 0.00 0.00 178.15 178.84 3kip s THR 105 N -6.16 2.04 -0.60 -0.27 -4.23 -1.26 -1.89 115.64 103.27 3kip s THR 105 Ca -0.13 -1.28 -0.19 0.00 -1.18 0.00 0.00 61.69 58.90 3kip s THR 105 Cb 0.14 -2.33 0.10 0.00 1.34 0.00 0.00 72.50 71.75 3kip s THR 105 CO 0.72 0.00 0.73 0.21 -0.54 0.00 0.00 174.62 175.74 3kip s ASN 106 N -4.38 6.18 0.56 3.99 3.04 -1.26 -2.87 114.94 120.20 3kip s ASN 106 Ca 0.46 -1.38 0.28 0.00 0.04 0.00 0.00 52.86 52.27 3kip s ASN 106 Cb -0.04 -2.32 1.48 0.00 -1.54 0.00 0.00 41.25 38.84 3kip s ASN 106 CO 0.29 -1.15 1.97 -0.37 -3.04 0.00 0.00 177.10 174.80 3kip h VAL 107 N 5.93 0.54 0.00 -5.21 -1.51 -1.92 0.25 116.25 114.34 3kip h VAL 107 Ca -0.29 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.18 3kip h VAL 107 Cb 1.09 0.70 0.00 0.00 -2.13 0.00 0.00 31.29 30.94 3kip h VAL 107 CO 1.11 0.00 0.00 0.45 -1.23 0.00 0.00 177.57 177.90 3kip h HIS 108 N 0.00 0.00 0.00 5.19 3.86 -1.89 0.68 115.15 122.99 3kip h HIS 108 Ca 0.22 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 3kip h HIS 108 Cb 1.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.50 3kip h HIS 108 CO 0.00 0.00 0.00 1.96 0.86 0.00 0.00 177.93 180.75 3kip h GLN 109 N 0.00 0.00 0.00 2.45 4.20 -0.90 -3.47 115.11 117.39 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 0.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.98 3kip h GLN 109 CO 0.00 0.00 0.00 0.54 -0.67 0.00 0.00 178.83 178.70 3kip n ARG 110 N -2.41 3.81 -2.30 1.46 1.74 0.23 -5.05 116.66 114.14 3kip n ARG 110 Ca 0.04 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.75 3kip n ARG 110 Cb 0.40 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.82 3kip n ARG 110 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3kip s GLU 111 N 3.73 3.98 0.30 5.56 8.01 -1.26 -4.92 118.70 134.10 3kip s GLU 111 Ca 0.00 1.80 0.06 0.00 0.01 0.00 0.00 54.97 56.84 3kip s GLU 111 Cb 0.00 -2.59 0.82 0.00 -4.31 0.00 0.00 34.13 28.05 3kip s GLU 111 CO 0.00 -0.37 1.66 -1.35 0.01 0.00 0.00 175.26 175.20 3kip h PRO 112 N 2.46 0.26 -0.64 0.39 0.11 -1.94 0.40 132.00 133.04 3kip h PRO 112 Ca -0.49 -0.02 0.19 0.00 0.11 0.00 0.00 66.00 65.79 3kip h PRO 112 Cb 1.24 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 3kip h PRO 112 CO 0.62 0.17 0.62 0.27 -0.21 0.00 0.00 178.00 179.47 3kip h PHE 113 N 0.27 0.00 -0.01 0.65 -5.15 -1.97 -0.37 116.94 110.36 3kip h PHE 113 Ca 0.61 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.38 3kip h PHE 113 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.44 3kip h PHE 113 CO -0.18 0.00 -0.18 0.54 -2.00 0.00 0.00 178.31 176.49 3kip n ARG 114 N -3.76 1.10 0.14 6.09 1.74 0.14 -3.43 116.66 118.68 3kip n ARG 114 Ca 0.13 -0.64 0.02 0.00 -0.77 0.00 0.00 57.85 56.58 3kip n ARG 114 Cb 0.86 -1.49 0.10 0.00 -1.02 0.00 0.00 32.46 30.91 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 1.57 0.00 -3.54 -1.55 3.86 -1.08 -3.44 115.15 110.96 3kip h HIS 115 Ca 0.00 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.69 3kip h HIS 115 Cb 0.51 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.96 3kip h HIS 115 CO 0.00 0.55 0.37 -0.65 0.86 0.00 0.00 177.93 179.05 3kip s GLN 116 N -3.14 4.67 0.05 2.45 1.11 -1.22 -5.07 119.66 118.52 3kip s GLN 116 Ca 0.02 1.45 0.08 0.00 0.01 0.00 0.00 55.36 56.92 3kip s GLN 116 Cb 0.09 -3.39 -0.03 0.00 -1.01 0.00 0.00 33.01 28.68 3kip s GLN 116 CO 0.74 0.17 -0.21 0.45 0.01 0.00 0.00 175.29 176.45 3kip s SER 117 N 0.15 2.53 0.00 5.90 0.15 -1.26 -4.42 113.70 116.75 3kip s SER 117 Ca 0.48 -0.56 0.17 0.00 0.70 0.00 0.00 55.95 56.74 3kip s SER 117 Cb -0.23 -0.20 0.53 0.00 -1.71 0.00 0.00 66.02 64.41 3kip s SER 117 CO 0.30 0.15 1.41 -1.22 1.20 0.00 0.00 173.24 175.08 3kip n TYR 118 N 1.70 0.40 -0.11 3.44 4.01 0.47 -4.29 117.16 122.78 3kip n TYR 118 Ca -0.18 -0.20 -0.14 0.00 -0.16 0.00 0.00 57.90 57.23 3kip n TYR 118 Cb 0.53 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.45 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 0.59 2.01 -0.36 7.72 4.77 -1.26 -4.68 117.00 125.79 3kip n LEU 119 Ca 0.15 -0.08 0.03 0.00 -0.03 0.00 0.00 56.01 56.08 3kip n LEU 119 Cb 0.36 -0.40 0.19 0.00 -2.33 0.00 0.00 43.42 41.23 3kip n LEU 119 CO 0.11 0.74 1.25 0.28 -1.33 0.00 0.00 177.39 178.44 3kip h SER 120 N 0.00 0.98 1.16 -1.43 0.02 -1.94 0.12 113.55 112.46 3kip h SER 120 Ca -0.50 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3kip h SER 120 Cb 1.89 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 64.25 3kip h SER 120 CO -0.04 0.60 0.00 -0.90 -1.14 0.00 0.00 176.83 175.34 3kip n ASP 121 N -4.55 0.34 -0.22 3.07 5.75 -1.26 -2.06 116.55 117.62 3kip n ASP 121 Ca 0.16 0.53 0.08 0.00 -0.01 0.00 0.00 54.79 55.55 3kip n ASP 121 Cb 0.23 -0.62 -0.03 0.00 -1.03 0.00 0.00 41.12 39.66 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 -1.82 1.83 -2.02 0.11 4.76 0.22 -5.01 118.16 116.23 3kip n LYS 122 Ca 0.06 -0.49 -0.33 0.00 -2.87 0.00 0.00 58.31 54.68 3kip n LYS 122 Cb 0.37 -1.24 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 -2.09 2.67 0.24 7.82 0.00 -0.02 -4.84 121.76 125.53 3kip s ALA 123 Ca 0.10 0.50 0.01 0.00 0.00 0.00 0.00 51.96 52.57 3kip s ALA 123 Cb 0.12 -3.27 0.27 0.00 0.00 0.00 0.00 23.12 20.24 3kip s ALA 123 CO 0.48 -0.90 1.61 0.28 0.00 0.00 0.00 175.76 177.23 3kip h VAL 124 N 0.49 1.31 -3.12 0.00 2.07 -0.77 -3.47 116.25 112.76 3kip h VAL 124 Ca -0.47 -1.60 -0.01 0.00 0.82 0.00 0.00 66.70 65.44 3kip h VAL 124 Cb 1.23 1.62 -0.11 0.00 -1.52 0.00 0.00 31.29 32.52 3kip h VAL 124 CO 0.57 0.49 0.14 0.00 0.02 0.00 0.00 177.57 178.79 3kip s ALA 125 N -4.18 -1.32 -0.06 1.67 0.00 -1.25 -5.05 121.76 111.57 3kip s ALA 125 Ca -0.07 0.16 -0.02 0.00 0.00 0.00 0.00 51.96 52.03 3kip s ALA 125 Cb 0.12 0.85 0.03 0.00 0.00 0.00 0.00 23.12 24.13 3kip s ALA 125 CO 0.81 -0.80 0.06 0.08 0.00 0.00 0.00 175.76 175.92 3kip s VAL 126 N -3.81 -0.10 -0.20 0.00 1.01 -1.26 -1.98 120.40 114.07 3kip s VAL 126 Ca 0.04 0.33 -0.05 0.00 0.00 0.00 0.00 61.98 62.31 3kip s VAL 126 Cb -0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 36.38 36.12 3kip s VAL 126 CO -0.08 0.11 -0.01 -0.63 0.00 0.00 0.00 175.10 174.49 3kip s ILE 127 N 2.16 3.83 -0.08 2.22 1.01 -0.44 -5.00 121.20 124.91 3kip s ILE 127 Ca 0.05 -0.35 -0.06 0.00 0.00 0.00 0.00 60.65 60.28 3kip s ILE 127 Cb -0.13 -2.73 0.03 0.00 0.01 0.00 0.00 42.46 39.64 3kip s ILE 127 CO -0.04 0.43 0.21 0.00 0.00 0.00 0.00 174.94 175.54 3kip n GLY 129 N 3.32 0.94 0.41 0.00 0.00 -0.75 -4.64 105.19 104.47 3kip n GLY 129 Ca -0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 1.21 0.00 0.99 7.94 -1.25 -4.78 117.00 121.12 3kip n LEU 130 Ca 0.00 -0.54 0.00 0.00 -1.11 0.00 0.00 56.01 54.36 3kip n LEU 130 Cb 0.00 -0.10 0.00 0.00 0.53 0.00 0.00 43.42 43.85 3kip n LEU 130 CO 0.00 0.27 0.00 0.61 -1.11 0.00 0.00 177.39 177.16 3kip n GLY 131 N 0.99 0.13 0.29 -3.96 0.00 -0.79 -3.02 105.19 98.82 3kip n GLY 131 Ca 0.13 -0.96 0.13 0.00 0.00 0.00 0.00 46.02 45.33 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 0.67 -0.08 1.61 2.07 -1.95 -1.05 116.25 117.52 3kip h VAL 132 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3kip h VAL 132 Cb 0.00 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3kip h VAL 132 CO 0.00 0.00 0.07 0.22 0.02 0.00 0.00 177.57 177.88 3kip h TYR 133 N 0.00 0.00 -0.73 1.57 3.20 -1.94 -1.81 116.97 117.27 3kip h TYR 133 Ca 0.01 0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.03 3kip h TYR 133 Cb 0.03 0.00 -0.14 0.00 1.54 0.00 0.00 36.73 38.17 3kip h TYR 133 CO 0.00 0.00 -0.15 0.78 -1.64 0.00 0.00 178.16 177.15 3kip h GLY 134 N 0.00 0.57 0.89 1.82 0.00 -1.22 -0.34 103.07 104.80 3kip h GLY 134 Ca 0.04 0.22 0.01 0.00 0.00 0.00 0.00 47.33 47.60 3kip h GLY 134 CO -0.00 -0.28 0.08 -0.97 0.00 0.00 0.00 176.54 175.37 3kip h TYR 135 N 0.01 0.14 -0.86 5.60 0.05 -1.52 -2.12 116.97 118.28 3kip h TYR 135 Ca 0.36 0.01 0.11 0.00 0.05 0.00 0.00 58.73 59.25 3kip h TYR 135 Cb 0.56 -0.04 -0.06 0.00 1.01 0.00 0.00 36.73 38.20 3kip h TYR 135 CO -0.55 0.08 0.56 1.15 -1.05 0.00 0.00 178.16 178.34 3kip h THR 136 N 0.17 0.93 -0.02 -2.88 2.02 -1.14 -2.10 112.91 109.89 3kip h THR 136 Ca 0.08 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 3kip h THR 136 Cb 0.03 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.52 3kip h THR 136 CO -0.06 0.14 -0.05 0.00 0.37 0.00 0.00 175.52 175.92 3kip h ALA 137 N 1.58 0.03 -0.93 6.16 0.00 -1.05 -1.37 119.26 123.68 3kip h ALA 137 Ca 0.40 -0.31 0.16 0.00 0.00 0.00 0.00 54.91 55.16 3kip h ALA 137 Cb 0.49 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.18 3kip h ALA 137 CO -0.17 -0.14 0.54 0.00 0.00 0.00 0.00 179.25 179.48 3kip h ALA 138 N 0.43 1.46 -0.21 0.00 0.00 -1.20 -1.75 119.26 117.99 3kip h ALA 138 Ca 0.00 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3kip h ALA 138 Cb 0.63 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3kip h ALA 138 CO 0.01 -0.01 -0.21 0.82 0.00 0.00 0.00 179.25 179.86 3kip h ILE 139 N 0.74 1.33 -0.87 0.00 2.04 -1.17 0.24 117.51 119.82 3kip h ILE 139 Ca 0.51 -1.37 0.17 0.00 1.00 0.00 0.00 64.86 65.17 3kip h ILE 139 Cb 0.71 1.75 -0.10 0.00 -0.74 0.00 0.00 36.82 38.44 3kip h ILE 139 CO -0.35 0.42 0.44 -0.33 0.00 0.00 0.00 178.15 178.33 3kip h GLU 140 N 0.18 0.55 -0.01 2.37 4.39 -0.84 0.55 114.58 121.76 3kip h GLU 140 Ca 0.03 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3kip h GLU 140 Cb 0.76 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.28 3kip h GLU 140 CO 0.05 0.36 -0.01 -0.92 -1.16 0.00 0.00 179.01 177.34 3kip h TYR 141 N 0.57 0.03 -0.71 4.33 5.03 -0.86 -3.06 116.97 122.29 3kip h TYR 141 Ca 0.50 -0.01 0.11 0.00 2.58 0.00 0.00 58.73 61.91 3kip h TYR 141 Cb 0.79 -0.01 -0.08 0.00 1.55 0.00 0.00 36.73 38.99 3kip h TYR 141 CO -0.10 0.48 0.32 0.00 -1.32 0.00 0.00 178.16 177.54 3kip h ALA 142 N 0.54 0.99 0.00 1.82 0.00 0.27 -1.74 119.26 121.14 3kip h ALA 142 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3kip h ALA 142 Cb 0.48 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3kip h ALA 142 CO 0.00 -0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.40 3kip n LEU 143 N -4.93 0.00 -0.04 0.00 4.77 0.11 -2.92 117.00 113.98 3kip n LEU 143 Ca 0.12 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.14 3kip n LEU 143 Cb 0.33 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.48 3kip n LEU 143 CO 0.22 0.00 0.52 0.59 -1.33 0.00 0.00 177.39 177.39 3kip n ASN 144 N -0.94 2.09 -4.55 -1.43 4.13 -0.65 -4.52 115.26 109.40 3kip n ASN 144 Ca 0.14 -2.47 -0.34 0.00 1.68 0.00 0.00 54.58 53.59 3kip n ASN 144 Cb 0.06 -0.20 -0.11 0.00 -1.54 0.00 0.00 39.78 38.00 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 -1.81 3.07 0.00 3.10 5.04 -1.15 -4.91 117.35 120.69 3kip s TYR 145 Ca 0.14 -0.17 0.00 0.00 -2.44 0.00 0.00 57.07 54.61 3kip s TYR 145 Cb 0.13 -1.95 0.00 0.00 0.35 0.00 0.00 41.96 40.49 3kip s TYR 145 CO 0.01 0.07 0.00 1.04 -1.34 0.00 0.00 175.55 175.33