#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kip s VAL 1 N 0.00 4.05 0.00 4.08 1.01 -0.55 -4.76 120.40 124.23 3kip s VAL 1 Ca 0.00 1.64 0.00 0.00 0.00 0.00 0.00 61.98 63.62 3kip s VAL 1 Cb 0.00 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.50 3kip s VAL 1 CO 0.00 0.07 0.00 2.29 0.00 0.00 0.00 175.10 177.46 3kip n LYS 2 N 0.31 2.40 -3.94 2.72 -0.00 -1.26 -4.77 118.16 113.61 3kip n LYS 2 Ca 0.03 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 58.01 3kip n LYS 2 Cb 0.50 -0.85 -0.14 0.00 -0.00 0.00 0.00 35.03 34.54 3kip n LYS 2 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 3kip s LYS 3 N -1.58 1.97 -0.09 -1.58 2.47 -1.26 -1.49 119.74 118.19 3kip s LYS 3 Ca 0.00 -1.62 -0.01 0.00 -1.56 0.00 0.00 55.97 52.78 3kip s LYS 3 Cb 0.00 -3.23 -0.03 0.00 -1.46 0.00 0.00 37.83 33.11 3kip s LYS 3 CO 0.00 -0.83 -0.02 0.08 0.16 0.00 0.00 175.35 174.75 3kip s VAL 4 N 1.08 4.13 -0.24 4.02 1.01 -0.11 -1.15 120.40 129.14 3kip s VAL 4 Ca 0.03 -0.31 -0.05 0.00 0.00 0.00 0.00 61.98 61.65 3kip s VAL 4 Cb -0.20 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 3kip s VAL 4 CO -0.05 0.59 0.00 -0.22 0.00 0.00 0.00 175.10 175.43 3kip s LEU 5 N -0.73 3.20 -0.19 3.92 2.96 -0.50 -0.31 118.68 127.03 3kip s LEU 5 Ca 0.11 -0.42 -0.19 0.00 -0.22 0.00 0.00 54.13 53.41 3kip s LEU 5 Cb -0.11 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 3kip s LEU 5 CO 0.02 -0.06 0.56 -0.22 -1.32 0.00 0.00 176.35 175.33 3kip s LEU 6 N 1.51 4.16 -0.03 -0.68 2.96 0.38 -1.09 118.68 125.89 3kip s LEU 6 Ca 0.05 0.75 0.08 0.00 -0.22 0.00 0.00 54.13 54.79 3kip s LEU 6 Cb -0.15 -2.78 -0.02 0.00 0.50 0.00 0.00 46.19 43.74 3kip s LEU 6 CO -0.01 -0.19 -0.26 -0.63 -1.32 0.00 0.00 176.35 173.94 3kip s ILE 7 N 1.62 2.05 -0.06 6.68 1.01 0.04 -0.59 121.20 131.95 3kip s ILE 7 Ca 0.26 -1.10 0.02 0.00 0.00 0.00 0.00 60.65 59.83 3kip s ILE 7 Cb -0.16 -1.71 0.02 0.00 0.01 0.00 0.00 42.46 40.62 3kip s ILE 7 CO 0.10 0.58 -0.09 0.20 0.00 0.00 0.00 174.94 175.73 3kip s ASN 8 N -0.50 1.49 0.19 3.58 -0.87 -0.65 -1.38 114.94 116.79 3kip s ASN 8 Ca 0.07 -0.23 0.00 0.00 -1.57 0.00 0.00 52.86 51.13 3kip s ASN 8 Cb -0.11 -0.68 0.00 0.00 -0.02 0.00 0.00 41.25 40.44 3kip s ASN 8 CO 0.00 -0.01 0.00 0.61 -2.57 0.00 0.00 177.10 175.13 3kip n GLY 9 N 4.01 -0.13 3.74 0.66 0.00 0.12 -2.65 105.19 110.94 3kip n GLY 9 Ca -0.23 -1.75 -0.37 0.00 0.00 0.00 0.00 46.02 43.67 3kip n GLY 9 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kip s PRO 10 N -0.11 2.82 0.00 1.61 0.04 -1.11 -3.05 135.00 135.20 3kip s PRO 10 Ca 0.00 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.13 3kip s PRO 10 Cb 0.00 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.54 3kip s PRO 10 CO 0.00 -1.40 0.00 0.09 0.04 0.00 0.00 177.00 175.73 3kip n ASN 11 N -1.56 0.00 0.32 6.66 3.02 -1.26 -4.48 115.26 117.96 3kip n ASN 11 Ca 0.14 0.00 0.20 0.00 -0.03 0.00 0.00 54.58 54.88 3kip n ASN 11 Cb 0.47 -0.23 1.06 0.00 -0.61 0.00 0.00 39.78 40.48 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 0.00 3.41 3.38 -1.90 -0.35 115.31 119.86 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 0.00 -0.46 0.09 0.00 0.00 178.44 178.07 3kip n ASN 13 N -2.93 0.00 -0.45 -0.43 0.23 -1.26 -2.45 115.26 107.97 3kip n ASN 13 Ca -0.03 0.49 0.11 0.00 -0.53 0.00 0.00 54.58 54.62 3kip n ASN 13 Cb 0.13 -0.49 -0.01 0.00 -2.08 0.00 0.00 39.78 37.33 3kip n ASN 13 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3kip n LEU 14 N -1.49 1.94 -4.76 -4.53 4.77 -0.14 -4.73 117.00 108.05 3kip n LEU 14 Ca 0.01 -0.73 -0.39 0.00 -0.03 0.00 0.00 56.01 54.87 3kip n LEU 14 Cb 0.05 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.10 3kip n LEU 14 CO 0.04 0.37 0.77 -1.48 -1.33 0.00 0.00 177.39 175.75 3kip s LEU 15 N -2.53 4.43 -0.42 2.23 2.34 -1.03 -0.95 118.68 122.76 3kip s LEU 15 Ca 0.18 2.18 0.02 0.00 0.06 0.00 0.00 54.13 56.57 3kip s LEU 15 Cb 0.18 -3.79 0.13 0.00 -0.56 0.00 0.00 46.19 42.14 3kip s LEU 15 CO 0.60 -0.23 0.20 -0.83 -1.06 0.00 0.00 176.35 175.03 3kip s GLY 16 N -1.10 1.73 -0.03 -3.48 0.00 -1.10 -2.82 107.32 100.52 3kip s GLY 16 Ca 0.48 -2.55 0.10 0.00 0.00 0.00 0.00 44.72 42.75 3kip s GLY 16 CO 0.37 1.41 1.24 -1.30 0.00 0.00 0.00 173.10 174.82 3kip n THR 17 N 3.75 1.19 -0.11 0.90 -2.24 -0.12 -4.53 114.28 113.11 3kip n THR 17 Ca 0.06 -1.14 -0.25 0.00 -2.27 0.00 0.00 64.05 60.45 3kip n THR 17 Cb 0.36 0.39 -0.08 0.00 -2.10 0.00 0.00 70.33 68.89 3kip n THR 17 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3kip n ARG 18 N 0.22 0.48 0.00 -0.78 0.63 -1.26 -5.20 116.66 110.76 3kip n ARG 18 Ca 0.12 0.21 0.03 0.00 -0.92 0.00 0.00 57.85 57.29 3kip n ARG 18 Cb 0.47 -1.31 -0.02 0.00 0.45 0.00 0.00 32.46 32.05 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 -4.02 0.00 -3.42 -0.14 9.36 -1.26 -5.06 117.16 112.61 3kip n TYR 23 Ca -0.45 0.00 -0.25 0.00 3.32 0.00 0.00 57.90 60.52 3kip n TYR 23 Cb 0.82 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.51 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 -1.35 1.46 0.00 2.98 0.00 -1.26 -4.90 107.32 104.25 3kip s GLY 24 Ca 0.03 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.90 3kip s GLY 24 CO 0.21 -0.79 0.00 -1.30 0.00 0.00 0.00 173.10 171.22 3kip n THR 25 N -1.53 0.00 -3.17 0.90 -2.24 -1.26 -4.58 114.28 102.39 3kip n THR 25 Ca -0.04 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.33 3kip n THR 25 Cb 0.56 -0.27 -0.07 0.00 -2.10 0.00 0.00 70.33 68.45 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 0.54 4.97 0.63 4.28 2.01 -1.26 -4.79 115.64 122.02 3kip s THR 26 Ca 0.00 0.66 -0.01 0.00 0.31 0.00 0.00 61.69 62.65 3kip s THR 26 Cb 0.00 -3.97 0.07 0.00 0.01 0.00 0.00 72.50 68.60 3kip s THR 26 CO 0.00 -0.16 0.88 -0.94 -0.69 0.00 0.00 174.62 173.71 3kip s SER 27 N 1.69 4.91 0.26 3.53 1.04 -1.26 -2.73 113.70 121.15 3kip s SER 27 Ca 0.22 -0.06 -0.04 0.00 0.48 0.00 0.00 55.95 56.56 3kip s SER 27 Cb -0.15 -0.64 0.32 0.00 0.10 0.00 0.00 66.02 65.66 3kip s SER 27 CO 0.12 -1.44 1.88 0.25 0.98 0.00 0.00 173.24 175.03 3kip h LEU 28 N -0.22 0.99 -0.20 2.42 5.85 -1.75 -2.76 115.31 119.64 3kip h LEU 28 Ca -0.41 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.22 3kip h LEU 28 Cb 1.29 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.07 3kip h LEU 28 CO 0.50 0.81 0.00 -1.28 -0.34 0.00 0.00 178.44 178.13 3kip h SER 29 N 1.11 0.00 0.02 1.25 0.87 -1.94 -1.58 113.55 113.28 3kip h SER 29 Ca 0.28 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.70 3kip h SER 29 Cb 0.06 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.03 3kip h SER 29 CO -0.04 0.00 -0.55 0.44 -0.53 0.00 0.00 176.83 176.15 3kip h ASP 30 N 0.00 0.44 -0.34 6.23 3.32 -1.88 -2.57 116.42 121.62 3kip h ASP 30 Ca 0.00 -0.80 -0.02 0.00 0.02 0.00 0.00 57.03 56.23 3kip h ASP 30 Cb 0.82 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 3kip h ASP 30 CO 0.00 1.19 0.15 0.40 -1.72 0.00 0.00 179.24 179.26 3kip h ILE 31 N -0.25 1.18 -0.23 0.35 2.04 -1.34 -0.41 117.51 118.85 3kip h ILE 31 Ca -0.07 -0.53 0.06 0.00 1.00 0.00 0.00 64.86 65.32 3kip h ILE 31 Cb 1.29 0.90 -0.07 0.00 -0.74 0.00 0.00 36.82 38.20 3kip h ILE 31 CO 0.11 0.19 -0.31 -0.08 0.00 0.00 0.00 178.15 178.06 3kip h GLU 32 N 0.40 -0.32 -0.53 2.37 4.81 -1.39 -0.36 114.58 119.56 3kip h GLU 32 Ca 0.11 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 3kip h GLU 32 Cb 0.16 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 3kip h GLU 32 CO -0.01 -0.21 0.12 1.96 -0.73 0.00 0.00 179.01 180.14 3kip h GLN 33 N -0.33 0.81 -0.37 1.92 1.08 -1.01 -1.05 115.11 116.16 3kip h GLN 33 Ca 0.12 -0.16 -0.11 0.00 -1.45 0.00 0.00 58.65 57.05 3kip h GLN 33 Cb 0.53 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 3kip h GLN 33 CO -0.41 0.73 -0.20 0.00 -0.95 0.00 0.00 178.83 178.01 3kip h ALA 34 N 1.35 0.53 0.47 3.87 0.00 -0.69 -1.41 119.26 123.38 3kip h ALA 34 Ca 0.17 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3kip h ALA 34 Cb 0.29 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3kip h ALA 34 CO -0.00 0.48 -0.22 0.00 0.00 0.00 0.00 179.25 179.50 3kip h ALA 35 N 0.79 -0.62 -0.84 0.00 0.00 -0.62 0.10 119.26 118.08 3kip h ALA 35 Ca 0.08 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 54.98 3kip h ALA 35 Cb 0.75 0.24 -0.16 0.00 0.00 0.00 0.00 17.79 18.63 3kip h ALA 35 CO 0.06 -0.73 -0.17 0.82 0.00 0.00 0.00 179.25 179.22 3kip h ILE 36 N -0.86 0.17 -0.27 0.00 2.04 -1.17 -2.30 117.51 115.12 3kip h ILE 36 Ca -0.06 -0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 3kip h ILE 36 Cb 0.57 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 3kip h ILE 36 CO 0.10 0.00 0.10 -0.33 0.00 0.00 0.00 178.15 178.02 3kip h GLU 37 N 0.01 0.41 -0.95 2.37 4.39 -1.02 -2.81 114.58 116.98 3kip h GLU 37 Ca 0.41 -0.08 0.16 0.00 0.34 0.00 0.00 59.36 60.19 3kip h GLU 37 Cb 0.66 -0.06 -0.16 0.00 -0.10 0.00 0.00 28.75 29.08 3kip h GLU 37 CO -0.84 0.46 -0.34 0.94 -1.16 0.00 0.00 179.01 178.06 3kip n GLN 38 N -4.75 -0.19 0.27 2.33 7.27 0.00 -1.08 117.38 121.23 3kip n GLN 38 Ca -0.03 1.47 -0.16 0.00 0.07 0.00 0.00 57.00 58.36 3kip n GLN 38 Cb 0.15 -2.19 -0.08 0.00 2.41 0.00 0.00 30.24 30.52 3kip n GLN 38 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3kip h ALA 39 N 1.45 -0.65 -0.92 1.69 0.00 -1.45 -3.07 119.26 116.31 3kip h ALA 39 Ca 0.36 -0.16 0.26 0.00 0.00 0.00 0.00 54.91 55.37 3kip h ALA 39 Cb 0.60 0.25 -0.15 0.00 0.00 0.00 0.00 17.79 18.49 3kip h ALA 39 CO -0.95 -0.83 0.32 0.87 0.00 0.00 0.00 179.25 178.66 3kip h LYS 40 N -0.72 0.22 0.00 0.00 1.57 -1.09 0.12 116.57 116.67 3kip h LYS 40 Ca -0.07 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3kip h LYS 40 Cb 0.53 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3kip h LYS 40 CO 0.11 0.15 0.00 -0.07 -0.57 0.00 0.00 179.45 179.07 3kip h LEU 41 N 0.23 0.00 0.00 2.94 4.07 -1.02 -2.38 115.31 119.15 3kip h LEU 41 Ca 0.60 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.56 3kip h LEU 41 Cb 1.27 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.01 3kip h LEU 41 CO -0.65 0.00 0.00 0.29 -1.08 0.00 0.00 178.44 177.00 3kip n LYS 42 N -2.89 0.45 0.00 1.13 4.76 0.43 -4.91 118.16 117.14 3kip n LYS 42 Ca 0.00 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 3kip n LYS 42 Cb 0.23 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.92 3kip n LYS 42 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3kip n ASN 43 N -1.15 0.00 -1.99 4.39 4.13 -0.90 -4.85 115.26 114.89 3kip n ASN 43 Ca 0.12 0.00 -0.23 0.00 1.68 0.00 0.00 54.58 56.15 3kip n ASN 43 Cb 0.12 -0.94 0.13 0.00 -1.54 0.00 0.00 39.78 37.55 3kip n ASN 43 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 3kip n ASN 44 N 0.00 4.93 -2.81 6.41 6.94 -1.26 -4.87 115.26 124.59 3kip n ASN 44 Ca 0.00 -3.73 -0.20 0.00 -0.02 0.00 0.00 54.58 50.63 3kip n ASN 44 Cb 0.00 -0.77 0.05 0.00 -2.36 0.00 0.00 39.78 36.69 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 -1.01 -5.57 -4.52 0.53 8.00 -1.26 -5.02 116.55 107.69 3kip n ASP 45 Ca 0.53 -0.33 -0.26 0.00 0.71 0.00 0.00 54.79 55.44 3kip n ASP 45 Cb 1.10 -4.32 0.13 0.00 -0.02 0.00 0.00 41.12 38.01 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 -2.96 4.00 -0.30 -2.24 0.01 -1.26 -4.83 113.70 106.11 3kip s SER 46 Ca 0.36 -0.14 -0.22 0.00 1.31 0.00 0.00 55.95 57.26 3kip s SER 46 Cb -0.16 -0.15 0.20 0.00 0.21 0.00 0.00 66.02 66.12 3kip s SER 46 CO 0.44 -2.11 1.42 -0.70 0.41 0.00 0.00 173.24 172.70 3kip s GLU 47 N -5.37 0.01 -0.13 12.44 2.12 -0.55 -4.61 118.70 122.60 3kip s GLU 47 Ca 0.68 0.02 0.02 0.00 0.36 0.00 0.00 54.97 56.05 3kip s GLU 47 Cb -0.05 0.01 0.01 0.00 0.26 0.00 0.00 34.13 34.35 3kip s GLU 47 CO 0.47 -0.00 -0.21 0.08 -0.54 0.00 0.00 175.26 175.06 3kip s VAL 48 N 0.34 2.21 0.10 3.70 1.01 -1.26 -0.93 120.40 125.56 3kip s VAL 48 Ca 0.03 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.08 3kip s VAL 48 Cb -0.04 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 3kip s VAL 48 CO -0.14 0.54 0.23 -0.76 0.00 0.00 0.00 175.10 174.97 3kip s LEU 49 N 0.71 4.29 0.00 3.92 1.43 0.58 -4.68 118.68 124.94 3kip s LEU 49 Ca -0.09 0.20 0.05 0.00 -1.03 0.00 0.00 54.13 53.26 3kip s LEU 49 Cb -0.16 -2.89 -0.02 0.00 0.03 0.00 0.00 46.19 43.16 3kip s LEU 49 CO 0.01 0.12 -0.17 0.68 0.23 0.00 0.00 176.35 177.22 3kip s VAL 50 N -1.60 1.33 0.03 -1.59 -7.23 -1.26 -0.47 120.40 109.62 3kip s VAL 50 Ca 0.34 -0.83 -0.03 0.00 -1.81 0.00 0.00 61.98 59.66 3kip s VAL 50 Cb -0.12 -1.13 -0.02 0.00 0.56 0.00 0.00 36.38 35.67 3kip s VAL 50 CO 0.28 0.29 0.03 0.12 -0.31 0.00 0.00 175.10 175.51 3kip s PHE 51 N -0.52 0.28 -0.22 2.82 5.36 0.25 -4.96 117.98 120.99 3kip s PHE 51 Ca 0.06 -0.62 -0.19 0.00 -0.96 0.00 0.00 56.93 55.22 3kip s PHE 51 Cb -0.07 -0.21 0.06 0.00 -0.34 0.00 0.00 43.02 42.46 3kip s PHE 51 CO 0.00 -0.31 0.57 -1.14 -1.46 0.00 0.00 175.22 172.88 3kip s GLN 52 N -2.49 0.65 0.08 10.12 -0.44 -1.26 -1.64 119.66 124.68 3kip s GLN 52 Ca -0.06 0.84 -0.20 0.00 -2.50 0.00 0.00 55.36 53.45 3kip s GLN 52 Cb -0.02 0.28 0.04 0.00 -1.64 0.00 0.00 33.01 31.67 3kip s GLN 52 CO -0.04 -0.09 0.47 0.45 0.50 0.00 0.00 175.29 176.57 3kip s SER 53 N 0.54 -0.35 0.00 6.67 0.15 -1.09 -4.98 113.70 114.65 3kip s SER 53 Ca -0.02 -0.03 0.24 0.00 0.70 0.00 0.00 55.95 56.85 3kip s SER 53 Cb -0.05 0.48 0.33 0.00 -1.71 0.00 0.00 66.02 65.07 3kip s SER 53 CO -0.03 -0.77 1.30 0.59 1.20 0.00 0.00 173.24 175.53 3kip n ASN 54 N 0.17 1.54 -4.49 5.45 3.02 -1.26 -2.76 115.26 116.93 3kip n ASN 54 Ca -0.18 -1.21 -0.43 0.00 -0.03 0.00 0.00 54.58 52.73 3kip n ASN 54 Cb 0.62 0.34 -0.08 0.00 -0.61 0.00 0.00 39.78 40.05 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 -2.51 5.01 0.23 3.41 2.01 -1.26 -4.69 115.64 117.84 3kip s THR 55 Ca 0.21 -0.23 -0.07 0.00 0.31 0.00 0.00 61.69 61.90 3kip s THR 55 Cb 0.19 -4.09 0.37 0.00 0.01 0.00 0.00 72.50 68.98 3kip s THR 55 CO 0.56 -0.48 1.31 1.21 -0.69 0.00 0.00 174.62 176.53 3kip n GLU 56 N 5.79 -0.08 -0.20 4.92 2.13 -1.26 -1.40 120.64 130.54 3kip n GLU 56 Ca -0.06 1.31 -0.07 0.00 0.66 0.00 0.00 57.16 59.00 3kip n GLU 56 Cb 0.47 -1.95 0.03 0.00 0.27 0.00 0.00 31.44 30.26 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 0.83 1.47 8.31 0.00 -1.99 -0.65 103.07 111.04 3kip h GLY 57 Ca 0.40 -0.34 -0.12 0.00 0.00 0.00 0.00 47.33 47.27 3kip h GLY 57 CO -0.86 0.33 -0.31 0.74 0.00 0.00 0.00 176.54 176.44 3kip h PHE 58 N 0.78 0.69 -0.75 5.60 0.04 -1.66 0.75 116.94 122.40 3kip h PHE 58 Ca 0.21 -0.17 -0.02 0.00 2.80 0.00 0.00 57.97 60.79 3kip h PHE 58 Cb -0.04 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 37.92 3kip h PHE 58 CO -0.03 0.84 0.39 0.82 -0.60 0.00 0.00 178.31 179.73 3kip h ILE 59 N 0.51 1.23 -0.20 -0.55 2.04 -0.37 -0.87 117.51 119.30 3kip h ILE 59 Ca 0.06 -0.59 -0.06 0.00 1.00 0.00 0.00 64.86 65.27 3kip h ILE 59 Cb 0.78 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 3kip h ILE 59 CO 0.06 0.26 -0.11 0.40 0.00 0.00 0.00 178.15 178.76 3kip h ILE 60 N 1.05 1.31 -0.89 -0.67 2.04 0.48 -0.44 117.51 120.39 3kip h ILE 60 Ca 0.26 -1.20 0.21 0.00 1.00 0.00 0.00 64.86 65.14 3kip h ILE 60 Cb 0.05 1.67 -0.12 0.00 -0.74 0.00 0.00 36.82 37.68 3kip h ILE 60 CO -0.04 0.36 0.39 0.44 0.00 0.00 0.00 178.15 179.30 3kip h ASP 61 N 0.12 0.33 -0.06 1.72 3.32 0.62 -1.24 116.42 121.24 3kip h ASP 61 Ca 0.04 0.15 -0.16 0.00 0.02 0.00 0.00 57.03 57.08 3kip h ASP 61 Cb 0.61 0.13 0.01 0.00 0.22 0.00 0.00 39.33 40.30 3kip h ASP 61 CO 0.03 0.02 -0.58 -0.09 -1.72 0.00 0.00 179.24 176.89 3kip h ARG 62 N 0.41 0.50 -0.70 3.56 9.65 -0.72 -1.74 114.38 125.34 3kip h ARG 62 Ca 0.55 -0.46 0.00 0.00 -1.10 0.00 0.00 59.98 58.97 3kip h ARG 62 Cb 1.02 0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 29.67 3kip h ARG 62 CO -0.51 1.10 0.46 0.82 2.80 0.00 0.00 179.97 184.63 3kip h ILE 63 N 0.07 1.18 0.49 1.20 2.04 0.03 0.14 117.51 122.65 3kip h ILE 63 Ca -0.06 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 3kip h ILE 63 Cb 1.25 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 3kip h ILE 63 CO 0.12 0.18 -0.23 0.45 0.00 0.00 0.00 178.15 178.67 3kip h HIS 64 N 0.96 -0.60 -0.96 1.37 3.86 -1.08 -2.56 115.15 116.13 3kip h HIS 64 Ca 0.26 -0.01 0.19 0.00 -1.16 0.00 0.00 60.37 59.65 3kip h HIS 64 Cb -0.10 0.20 -0.09 0.00 1.06 0.00 0.00 27.41 28.49 3kip h HIS 64 CO 0.00 -0.33 0.61 1.49 0.86 0.00 0.00 177.93 180.56 3kip h GLU 65 N -0.75 0.59 -0.42 2.45 4.57 -0.73 -0.84 114.58 119.46 3kip h GLU 65 Ca -0.07 -0.04 0.07 0.00 -1.18 0.00 0.00 59.36 58.15 3kip h GLU 65 Cb 0.55 -0.13 -0.06 0.00 -0.16 0.00 0.00 28.75 28.94 3kip h GLU 65 CO 0.11 0.39 0.04 0.00 -1.18 0.00 0.00 179.01 178.37 3kip h ALA 66 N 1.62 0.42 -0.12 2.92 0.00 -0.35 -2.02 119.26 121.73 3kip h ALA 66 Ca 0.53 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.59 3kip h ALA 66 Cb 1.02 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 3kip h ALA 66 CO -0.28 -0.36 -0.23 -0.22 0.00 0.00 0.00 179.25 178.16 3kip h LYS 67 N 0.15 -0.29 -1.02 0.00 1.63 -0.87 -1.10 116.57 115.07 3kip h LYS 67 Ca 0.21 0.02 0.27 0.00 -0.85 0.00 0.00 60.65 60.30 3kip h LYS 67 Cb 0.29 0.07 -0.07 0.00 -0.60 0.00 0.00 32.23 31.92 3kip h LYS 67 CO -0.32 -0.19 0.70 0.00 -3.45 0.00 0.00 179.45 176.18 3kip h ARG 68 N -0.30 0.21 -0.01 1.90 3.08 -1.19 -1.76 114.38 116.30 3kip h ARG 68 Ca 0.10 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3kip h ARG 68 Cb 0.45 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3kip h ARG 68 CO -0.29 0.14 -0.13 1.04 -1.07 0.00 0.00 179.97 179.66 3kip n GLN 69 N -4.42 1.41 -1.64 0.04 6.02 -0.50 -4.94 117.38 113.36 3kip n GLN 69 Ca 0.23 -0.91 -0.05 0.00 -0.01 0.00 0.00 57.00 56.27 3kip n GLN 69 Cb 0.96 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 30.72 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 1.27 0.44 3.75 1.08 0.00 -0.66 -4.99 105.19 106.08 3kip n GLY 70 Ca 0.15 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.20 2.35 -0.41 1.61 1.01 -0.72 -4.74 120.40 117.30 3kip s VAL 71 Ca 0.00 0.30 0.20 0.00 0.00 0.00 0.00 61.98 62.48 3kip s VAL 71 Cb 0.00 -3.19 -0.27 0.00 0.00 0.00 0.00 36.38 32.92 3kip s VAL 71 CO 0.00 0.05 0.61 0.61 0.00 0.00 0.00 175.10 176.37 3kip n GLY 72 N 2.21 -0.90 3.59 4.51 0.00 -0.30 -4.73 105.19 109.56 3kip n GLY 72 Ca 0.08 -0.52 -0.14 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.18 -0.65 -0.05 1.61 2.19 -1.23 -4.45 117.98 112.22 3kip s PHE 73 Ca -0.01 1.40 0.05 0.00 0.33 0.00 0.00 56.93 58.70 3kip s PHE 73 Cb 0.14 0.35 -0.02 0.00 -1.31 0.00 0.00 43.02 42.18 3kip s PHE 73 CO 0.83 -0.43 -0.20 0.08 1.83 0.00 0.00 175.22 177.32 3kip s VAL 74 N -0.35 2.51 -0.22 3.12 1.01 -0.49 -1.41 120.40 124.58 3kip s VAL 74 Ca -0.04 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.00 3kip s VAL 74 Cb -0.03 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.41 3kip s VAL 74 CO 0.03 0.58 -0.08 -0.69 0.00 0.00 0.00 175.10 174.94 3kip s VAL 75 N -0.44 3.02 -0.03 2.92 1.01 -0.25 -1.82 120.40 124.80 3kip s VAL 75 Ca 0.05 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.37 3kip s VAL 75 Cb -0.12 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.88 3kip s VAL 75 CO 0.01 0.40 -0.10 -0.51 0.00 0.00 0.00 175.10 174.91 3kip s ILE 76 N 1.41 0.86 -0.33 2.22 2.07 -0.50 -0.78 121.20 126.15 3kip s ILE 76 Ca 0.05 -0.39 0.04 0.00 -1.41 0.00 0.00 60.65 58.93 3kip s ILE 76 Cb -0.14 -0.77 0.09 0.00 0.13 0.00 0.00 42.46 41.77 3kip s ILE 76 CO -0.05 0.27 0.03 0.21 -1.91 0.00 0.00 174.94 173.48 3kip s ASN 77 N 0.26 4.67 0.00 4.50 3.84 -0.48 -0.80 114.94 126.94 3kip s ASN 77 Ca -0.05 -2.02 0.25 0.00 0.21 0.00 0.00 52.86 51.26 3kip s ASN 77 Cb -0.10 -1.57 1.16 0.00 -0.55 0.00 0.00 41.25 40.18 3kip s ASN 77 CO 0.01 -0.35 1.83 0.00 -2.79 0.00 0.00 177.10 175.79 3kip n ALA 78 N 4.31 2.20 -0.84 1.71 0.00 -1.26 0.13 120.51 126.75 3kip n ALA 78 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3kip n ALA 78 Cb 0.42 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 1.00 2.85 0.33 0.00 0.00 -1.26 -1.93 105.19 106.18 3kip n GLY 79 Ca 0.08 -0.31 0.16 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.84 2.06 0.00 4.61 0.00 -1.94 -1.56 119.26 121.59 3kip h ALA 80 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kip h ALA 80 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3kip h ALA 80 CO 0.00 -0.32 0.00 0.66 0.00 0.00 0.00 179.25 179.59 3kip n TYR 81 N -4.18 0.27 0.27 0.00 4.01 -0.81 -1.64 117.16 115.07 3kip n TYR 81 Ca 0.03 0.11 0.11 0.00 -0.16 0.00 0.00 57.90 57.98 3kip n TYR 81 Cb 0.34 -0.68 0.72 0.00 -0.31 0.00 0.00 39.34 39.42 3kip n TYR 81 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 3kip h THR 82 N 0.00 0.78 0.00 -0.72 2.02 -1.43 0.63 112.91 114.19 3kip h THR 82 Ca 0.00 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.93 3kip h THR 82 Cb 0.26 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 3kip h THR 82 CO 0.00 0.06 -1.41 1.41 0.37 0.00 0.00 175.52 175.96 3kip n HIS 83 N -4.07 0.00 0.00 3.16 8.25 -0.65 -0.47 115.22 121.44 3kip n HIS 83 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 3kip n HIS 83 Cb 0.15 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.03 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 -1.83 0.00 -3.46 1.59 -2.24 -1.04 -4.75 114.28 102.55 3kip n THR 84 Ca -0.00 -0.41 -0.42 0.00 -2.27 0.00 0.00 64.05 60.94 3kip n THR 84 Cb 0.40 0.98 -0.04 0.00 -2.10 0.00 0.00 70.33 69.57 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 -0.88 6.50 0.54 3.42 0.15 0.19 -4.83 113.70 118.79 3kip s SER 85 Ca 0.00 -3.21 0.22 0.00 0.70 0.00 0.00 55.95 53.67 3kip s SER 85 Cb 0.00 -2.09 1.41 0.00 -1.71 0.00 0.00 66.02 63.64 3kip s SER 85 CO 0.00 -0.37 2.09 0.58 1.20 0.00 0.00 173.24 176.74 3kip h VAL 86 N 4.39 0.79 -0.56 4.45 2.07 -1.93 -2.90 116.25 122.56 3kip h VAL 86 Ca 0.12 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.55 3kip h VAL 86 Cb 0.93 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 3kip h VAL 86 CO 0.84 0.00 -0.01 1.23 0.02 0.00 0.00 177.57 179.65 3kip h GLY 87 N 0.00 1.06 1.16 2.17 0.00 -1.97 0.16 103.07 105.65 3kip h GLY 87 Ca 0.11 -0.76 -0.19 0.00 0.00 0.00 0.00 47.33 46.48 3kip h GLY 87 CO -0.00 0.70 -0.59 -2.22 0.00 0.00 0.00 176.54 174.44 3kip h ILE 88 N 0.90 1.27 -0.15 2.60 2.04 -1.88 -0.57 117.51 121.72 3kip h ILE 88 Ca 0.16 -1.77 0.03 0.00 1.00 0.00 0.00 64.86 64.28 3kip h ILE 88 Cb 0.54 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 3kip h ILE 88 CO 0.03 0.58 -0.03 -0.09 0.00 0.00 0.00 178.15 178.64 3kip h ARG 89 N 0.66 0.01 0.00 2.37 2.43 -1.24 -1.31 114.38 117.30 3kip h ARG 89 Ca 0.00 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 3kip h ARG 89 Cb 1.20 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 3kip h ARG 89 CO 0.13 0.01 -0.30 -0.44 -1.51 0.00 0.00 179.97 177.85 3kip h ASP 90 N 0.01 0.00 -0.31 -3.80 5.19 -0.60 -0.77 116.42 116.14 3kip h ASP 90 Ca 0.07 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.41 3kip h ASP 90 Cb 0.11 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.61 3kip h ASP 90 CO -0.15 0.30 -0.08 0.00 -3.12 0.00 0.00 179.24 176.20 3kip h ALA 91 N 1.70 0.43 -0.04 3.45 0.00 -0.49 0.15 119.26 124.46 3kip h ALA 91 Ca -0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 3kip h ALA 91 Cb 0.54 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3kip h ALA 91 CO 0.04 0.27 0.02 -0.07 0.00 0.00 0.00 179.25 179.51 3kip h LEU 92 N 0.38 0.05 -0.05 0.00 3.38 -0.81 -0.31 115.31 117.95 3kip h LEU 92 Ca 0.08 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3kip h LEU 92 Cb 0.57 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3kip h LEU 92 CO 0.03 0.11 -0.06 -0.07 0.09 0.00 0.00 178.44 178.55 3kip h LEU 93 N -0.02 -0.18 -0.63 1.67 3.38 -1.19 -0.12 115.31 118.23 3kip h LEU 93 Ca 0.01 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.13 3kip h LEU 93 Cb 0.07 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 40.83 3kip h LEU 93 CO -0.00 -0.08 0.20 1.23 0.09 0.00 0.00 178.44 179.87 3kip h GLY 94 N -0.08 0.87 1.13 0.83 0.00 -0.53 -1.18 103.07 104.11 3kip h GLY 94 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3kip h GLY 94 CO -0.10 -0.07 -0.18 -1.30 0.00 0.00 0.00 176.54 174.89 3kip n THR 95 N -5.05 0.00 -2.18 4.70 -2.24 -0.14 -4.93 114.28 104.44 3kip n THR 95 Ca 0.10 -0.04 -0.14 0.00 -2.27 0.00 0.00 64.05 61.70 3kip n THR 95 Cb 0.32 -0.08 -0.01 0.00 -2.10 0.00 0.00 70.33 68.46 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 -1.19 -0.40 -2.64 6.98 0.00 -0.09 -4.98 120.51 118.20 3kip n ALA 96 Ca 0.11 0.13 -0.39 0.00 0.00 0.00 0.00 53.44 53.28 3kip n ALA 96 Cb 0.31 -1.64 -0.07 0.00 0.00 0.00 0.00 19.45 18.04 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 -2.69 5.12 0.63 0.00 1.01 -0.99 -5.02 121.20 119.26 3kip s ILE 97 Ca 0.00 0.82 -0.18 0.00 0.00 0.00 0.00 60.65 61.29 3kip s ILE 97 Cb 0.00 -3.79 -0.02 0.00 0.01 0.00 0.00 42.46 38.66 3kip s ILE 97 CO 0.00 0.16 1.21 -2.16 0.00 0.00 0.00 174.94 174.15 3kip s PRO 98 N 1.84 2.78 0.15 2.79 0.04 -1.26 -4.76 135.00 136.58 3kip s PRO 98 Ca 0.21 1.79 -0.18 0.00 0.04 0.00 0.00 61.00 62.86 3kip s PRO 98 Cb -0.15 -1.91 0.04 0.00 0.04 0.00 0.00 34.50 32.52 3kip s PRO 98 CO 0.09 -1.35 0.47 -0.59 0.04 0.00 0.00 177.00 175.66 3kip s PHE 99 N -1.71 -0.24 -0.05 0.56 -0.71 -1.26 -1.39 117.98 113.18 3kip s PHE 99 Ca 0.76 -0.07 0.06 0.00 -1.04 0.00 0.00 56.93 56.65 3kip s PHE 99 Cb -0.30 0.34 -0.02 0.00 -1.21 0.00 0.00 43.02 41.84 3kip s PHE 99 CO 0.36 -0.78 -0.23 0.42 -1.34 0.00 0.00 175.22 173.65 3kip s ILE 100 N -3.81 2.24 -0.20 -4.49 1.01 -0.75 0.11 121.20 115.30 3kip s ILE 100 Ca 0.04 -1.02 -0.16 0.00 0.00 0.00 0.00 60.65 59.52 3kip s ILE 100 Cb 0.01 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 3kip s ILE 100 CO -0.10 0.57 0.39 -0.70 0.00 0.00 0.00 174.94 175.11 3kip s GLU 101 N -0.36 4.17 -0.03 2.79 2.12 -0.61 -1.41 118.70 125.38 3kip s GLU 101 Ca 0.02 0.19 0.06 0.00 0.36 0.00 0.00 54.97 55.60 3kip s GLU 101 Cb -0.12 -3.54 -0.02 0.00 0.26 0.00 0.00 34.13 30.71 3kip s GLU 101 CO 0.02 -0.03 -0.20 0.08 -0.54 0.00 0.00 175.26 174.59 3kip s VAL 102 N 1.29 2.61 -0.06 3.70 1.01 0.01 -1.24 120.40 127.73 3kip s VAL 102 Ca 0.19 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.24 3kip s VAL 102 Cb -0.15 -1.99 0.02 0.00 0.00 0.00 0.00 36.38 34.26 3kip s VAL 102 CO 0.08 0.55 -0.08 -1.00 0.00 0.00 0.00 175.10 174.65 3kip s HIS 103 N -0.71 1.15 0.17 5.22 3.76 -0.57 -4.23 115.29 120.08 3kip s HIS 103 Ca 0.11 -0.41 -0.14 0.00 -0.15 0.00 0.00 55.06 54.47 3kip s HIS 103 Cb -0.10 -0.91 0.06 0.00 1.11 0.00 0.00 32.58 32.73 3kip s HIS 103 CO 0.00 -0.26 1.83 0.82 -0.85 0.00 0.00 174.74 176.28 3kip h ILE 104 N 6.07 1.12 -1.69 0.60 2.04 -1.88 -1.52 117.51 122.26 3kip h ILE 104 Ca -0.33 -0.23 -0.50 0.00 1.00 0.00 0.00 64.86 64.79 3kip h ILE 104 Cb 1.17 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 3kip h ILE 104 CO 0.46 0.12 -0.43 0.42 0.00 0.00 0.00 178.15 178.72 3kip s THR 105 N -6.15 3.00 -0.78 -0.27 -4.23 -1.26 -2.14 115.64 103.80 3kip s THR 105 Ca -0.13 -1.42 -0.22 0.00 -1.18 0.00 0.00 61.69 58.75 3kip s THR 105 Cb 0.12 -3.06 0.08 0.00 1.34 0.00 0.00 72.50 70.98 3kip s THR 105 CO 0.74 -0.09 1.08 0.21 -0.54 0.00 0.00 174.62 176.03 3kip s ASN 106 N -4.03 6.35 0.47 3.99 3.04 -1.26 -2.87 114.94 120.61 3kip s ASN 106 Ca 0.44 -1.33 0.31 0.00 0.04 0.00 0.00 52.86 52.32 3kip s ASN 106 Cb -0.04 -2.44 1.40 0.00 -1.54 0.00 0.00 41.25 38.64 3kip s ASN 106 CO 0.26 -1.36 1.71 -0.37 -3.04 0.00 0.00 177.10 174.30 3kip h VAL 107 N 6.02 0.30 0.00 -5.21 -1.51 -1.92 0.15 116.25 114.07 3kip h VAL 107 Ca -0.10 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.32 3kip h VAL 107 Cb 1.05 0.14 0.00 0.00 -2.13 0.00 0.00 31.29 30.35 3kip h VAL 107 CO 1.19 0.03 0.00 1.41 -1.23 0.00 0.00 177.57 178.97 3kip n HIS 108 N -4.45 0.00 1.03 5.19 8.25 -1.26 -1.14 115.22 122.84 3kip n HIS 108 Ca 0.32 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.89 3kip n HIS 108 Cb 1.30 -0.32 0.21 0.00 1.12 0.00 0.00 29.99 32.29 3kip n HIS 108 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 3kip n GLN 109 N -1.32 0.12 0.00 -0.41 7.27 0.51 -4.94 117.38 118.62 3kip n GLN 109 Ca 0.04 -0.08 0.00 0.00 0.07 0.00 0.00 57.00 57.03 3kip n GLN 109 Cb 0.08 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.23 3kip n GLN 109 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3kip n ARG 110 N -1.37 3.53 -1.95 3.69 1.74 -0.29 -5.06 116.66 116.94 3kip n ARG 110 Ca 0.06 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.76 3kip n ARG 110 Cb 0.34 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.80 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 2.26 3.51 0.56 5.56 8.01 -1.26 -4.87 118.70 132.46 3kip s GLU 111 Ca 0.00 2.13 0.30 0.00 0.01 0.00 0.00 54.97 57.41 3kip s GLU 111 Cb 0.00 -2.44 1.46 0.00 -4.31 0.00 0.00 34.13 28.85 3kip s GLU 111 CO 0.00 -0.86 1.89 -1.35 0.01 0.00 0.00 175.26 174.95 3kip h PRO 112 N 1.94 0.00 0.00 0.39 0.11 -1.95 0.73 132.00 133.22 3kip h PRO 112 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3kip h PRO 112 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3kip h PRO 112 CO 0.59 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.65 3kip h PHE 113 N 0.00 0.00 -0.01 0.65 -5.15 -1.96 0.76 116.94 111.23 3kip h PHE 113 Ca 0.34 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.11 3kip h PHE 113 Cb 1.49 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.66 3kip h PHE 113 CO 0.00 0.00 -0.17 0.54 -2.00 0.00 0.00 178.31 176.68 3kip n ARG 114 N -2.42 0.92 0.17 6.09 1.74 0.25 -3.50 116.66 119.91 3kip n ARG 114 Ca 0.01 -0.47 0.09 0.00 -0.77 0.00 0.00 57.85 56.71 3kip n ARG 114 Cb 0.21 -1.49 0.10 0.00 -1.02 0.00 0.00 32.46 30.26 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 1.16 0.00 -3.27 -1.55 3.86 -0.94 -3.45 115.15 110.96 3kip h HIS 115 Ca 0.00 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.64 3kip h HIS 115 Cb 0.45 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.88 3kip h HIS 115 CO 0.00 0.16 -0.01 -0.65 0.86 0.00 0.00 177.93 178.29 3kip s GLN 116 N -3.15 4.25 -0.02 2.45 1.11 -1.23 -5.05 119.66 118.02 3kip s GLN 116 Ca 0.05 0.80 0.01 0.00 0.01 0.00 0.00 55.36 56.22 3kip s GLN 116 Cb 0.06 -3.24 0.01 0.00 -1.01 0.00 0.00 33.01 28.83 3kip s GLN 116 CO 0.71 0.63 -0.04 0.45 0.01 0.00 0.00 175.29 177.06 3kip s SER 117 N -1.12 0.62 0.00 5.90 0.15 -1.26 -4.44 113.70 113.54 3kip s SER 117 Ca 0.30 -0.08 0.18 0.00 0.70 0.00 0.00 55.95 57.05 3kip s SER 117 Cb -0.20 -0.20 1.08 0.00 -1.71 0.00 0.00 66.02 64.99 3kip s SER 117 CO 0.20 -0.01 1.65 -1.22 1.20 0.00 0.00 173.24 175.06 3kip n TYR 118 N 3.52 0.00 -0.07 3.44 4.01 0.38 -4.13 117.16 124.32 3kip n TYR 118 Ca -0.20 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.43 3kip n TYR 118 Cb 0.54 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.51 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 -0.80 2.56 -0.35 7.72 4.77 -1.26 -4.71 117.00 124.93 3kip n LEU 119 Ca 0.14 -0.02 0.15 0.00 -0.03 0.00 0.00 56.01 56.25 3kip n LEU 119 Cb 0.06 -0.50 0.29 0.00 -2.33 0.00 0.00 43.42 40.95 3kip n LEU 119 CO 0.10 0.65 0.80 0.28 -1.33 0.00 0.00 177.39 177.89 3kip h SER 120 N -0.13 -0.50 0.73 -1.43 0.02 -1.93 0.28 113.55 110.59 3kip h SER 120 Ca -0.34 0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3kip h SER 120 Cb 1.47 0.50 0.00 0.00 0.14 0.00 0.00 62.40 64.51 3kip h SER 120 CO -0.09 -0.36 0.00 -0.90 -1.14 0.00 0.00 176.83 174.33 3kip n ASP 121 N -5.50 0.00 -0.00 3.07 5.75 -1.26 -2.63 116.55 115.97 3kip n ASP 121 Ca 0.23 0.35 0.03 0.00 -0.01 0.00 0.00 54.79 55.40 3kip n ASP 121 Cb 0.77 -0.44 -0.04 0.00 -1.03 0.00 0.00 41.12 40.37 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 -1.44 3.90 -0.90 0.11 4.76 -0.07 -5.03 118.16 119.49 3kip n LYS 122 Ca 0.07 -0.01 -0.32 0.00 -2.87 0.00 0.00 58.31 55.18 3kip n LYS 122 Cb 0.26 -0.88 0.15 0.00 -1.84 0.00 0.00 35.03 32.71 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 -1.79 1.67 -0.02 7.82 0.00 -0.27 -4.79 121.76 124.37 3kip s ALA 123 Ca 0.01 0.66 -0.22 0.00 0.00 0.00 0.00 51.96 52.42 3kip s ALA 123 Cb 0.05 -3.45 -0.24 0.00 0.00 0.00 0.00 23.12 19.48 3kip s ALA 123 CO 0.27 -2.51 1.06 0.28 0.00 0.00 0.00 175.76 174.87 3kip h VAL 124 N -1.45 1.49 -4.35 0.00 2.07 0.51 -3.48 116.25 111.04 3kip h VAL 124 Ca -0.44 -2.02 -0.19 0.00 0.82 0.00 0.00 66.70 64.87 3kip h VAL 124 Cb 1.28 2.68 -0.14 0.00 -1.52 0.00 0.00 31.29 33.59 3kip h VAL 124 CO 0.44 0.57 -0.52 0.00 0.02 0.00 0.00 177.57 178.08 3kip s ALA 125 N -3.16 0.78 -0.15 1.67 0.00 -1.25 -5.06 121.76 114.59 3kip s ALA 125 Ca -0.14 -1.45 -0.01 0.00 0.00 0.00 0.00 51.96 50.35 3kip s ALA 125 Cb 0.02 1.19 0.04 0.00 0.00 0.00 0.00 23.12 24.37 3kip s ALA 125 CO 0.78 -0.62 -0.03 0.08 0.00 0.00 0.00 175.76 175.98 3kip s VAL 126 N -4.10 0.83 -0.21 0.00 1.01 -1.26 -1.57 120.40 115.09 3kip s VAL 126 Ca 0.32 -0.42 -0.08 0.00 0.00 0.00 0.00 61.98 61.80 3kip s VAL 126 Cb 0.06 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 3kip s VAL 126 CO 0.08 0.11 0.08 -0.63 0.00 0.00 0.00 175.10 174.75 3kip s ILE 127 N 1.76 4.77 -0.16 2.22 1.01 -0.37 -4.99 121.20 125.43 3kip s ILE 127 Ca 0.02 -0.03 -0.06 0.00 0.00 0.00 0.00 60.65 60.58 3kip s ILE 127 Cb -0.15 -3.18 0.08 0.00 0.01 0.00 0.00 42.46 39.21 3kip s ILE 127 CO -0.07 0.40 0.33 0.00 0.00 0.00 0.00 174.94 175.60 3kip n GLY 129 N 5.34 1.18 1.59 0.00 0.00 -0.57 -4.68 105.19 108.06 3kip n GLY 129 Ca -0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 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 5.18 0.00 0.99 7.94 -1.21 -4.63 117.00 125.27 3kip n LEU 130 Ca 0.00 -3.70 0.00 0.00 -1.11 0.00 0.00 56.01 51.20 3kip n LEU 130 Cb 0.00 -0.72 0.00 0.00 0.53 0.00 0.00 43.42 43.23 3kip n LEU 130 CO 0.00 1.17 0.00 0.61 -1.11 0.00 0.00 177.39 178.06 3kip n GLY 131 N -1.10 0.76 0.29 -3.96 0.00 -0.91 -3.28 105.19 97.00 3kip n GLY 131 Ca 0.44 -0.79 0.07 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 1.02 -0.35 1.61 2.07 -1.94 -2.01 116.25 116.65 3kip h VAL 132 Ca 0.00 -0.08 0.10 0.00 0.82 0.00 0.00 66.70 67.54 3kip h VAL 132 Cb 0.00 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3kip h VAL 132 CO 0.00 0.05 0.54 0.22 0.02 0.00 0.00 177.57 178.40 3kip h TYR 133 N 0.25 0.00 -0.68 1.57 3.20 -1.96 -2.28 116.97 117.07 3kip h TYR 133 Ca 0.09 0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.08 3kip h TYR 133 Cb 0.06 0.00 -0.12 0.00 1.54 0.00 0.00 36.73 38.21 3kip h TYR 133 CO -0.00 0.00 -0.34 0.78 -1.64 0.00 0.00 178.16 176.96 3kip h GLY 134 N 0.00 -0.03 0.57 1.82 0.00 -1.34 0.15 103.07 104.23 3kip h GLY 134 Ca 0.16 0.44 0.06 0.00 0.00 0.00 0.00 47.33 48.00 3kip h GLY 134 CO -0.00 -0.21 0.20 -0.97 0.00 0.00 0.00 176.54 175.55 3kip h TYR 135 N -0.12 0.35 -0.36 5.60 0.05 -1.64 0.16 116.97 121.02 3kip h TYR 135 Ca 0.26 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 59.04 3kip h TYR 135 Cb 0.56 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 38.20 3kip h TYR 135 CO -0.68 0.13 0.12 1.15 -1.05 0.00 0.00 178.16 177.83 3kip h THR 136 N 0.39 1.20 0.10 -2.88 2.02 -0.94 -0.41 112.91 112.39 3kip h THR 136 Ca 0.24 -0.65 -0.00 0.00 0.77 0.00 0.00 66.41 66.76 3kip h THR 136 Cb 0.23 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 3kip h THR 136 CO -0.22 0.23 -0.05 0.00 0.37 0.00 0.00 175.52 175.84 3kip h ALA 137 N 0.97 -0.14 -0.79 6.16 0.00 -0.64 0.21 119.26 125.04 3kip h ALA 137 Ca 0.12 -0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.09 3kip h ALA 137 Cb 0.23 0.05 -0.14 0.00 0.00 0.00 0.00 17.79 17.93 3kip h ALA 137 CO -0.01 -0.51 -0.27 0.00 0.00 0.00 0.00 179.25 178.46 3kip h ALA 138 N 0.62 0.31 -0.51 0.00 0.00 -0.46 -0.87 119.26 118.36 3kip h ALA 138 Ca -0.01 0.27 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 3kip h ALA 138 Cb 0.22 0.73 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3kip h ALA 138 CO 0.02 -0.52 0.04 0.82 0.00 0.00 0.00 179.25 179.62 3kip h ILE 139 N -0.05 1.26 -0.58 0.00 2.04 -0.53 0.19 117.51 119.84 3kip h ILE 139 Ca 0.34 -1.01 0.10 0.00 1.00 0.00 0.00 64.86 65.29 3kip h ILE 139 Cb 0.58 0.92 -0.07 0.00 -0.74 0.00 0.00 36.82 37.50 3kip h ILE 139 CO -0.82 0.36 0.17 -0.33 0.00 0.00 0.00 178.15 177.52 3kip h GLU 140 N 0.74 0.31 -0.06 2.37 4.39 -0.51 0.35 114.58 122.16 3kip h GLU 140 Ca 0.15 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 3kip h GLU 140 Cb 0.46 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 3kip h GLU 140 CO 0.02 0.21 0.01 -0.92 -1.16 0.00 0.00 179.01 177.17 3kip h TYR 141 N 0.32 0.11 -0.15 4.33 5.03 0.02 -2.97 116.97 123.66 3kip h TYR 141 Ca 0.29 -0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.61 3kip h TYR 141 Cb 0.39 -0.03 -0.05 0.00 1.55 0.00 0.00 36.73 38.59 3kip h TYR 141 CO -0.20 0.32 -0.39 0.00 -1.32 0.00 0.00 178.16 176.56 3kip h ALA 142 N 0.78 -0.73 0.00 1.82 0.00 -0.32 -1.50 119.26 119.32 3kip h ALA 142 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kip h ALA 142 Cb 0.26 0.92 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3kip h ALA 142 CO 0.00 -0.89 0.01 1.28 0.00 0.00 0.00 179.25 179.66 3kip n LEU 143 N -4.60 0.00 -0.84 0.00 4.77 0.08 -1.16 117.00 115.24 3kip n LEU 143 Ca -0.04 0.33 0.09 0.00 -0.03 0.00 0.00 56.01 56.36 3kip n LEU 143 Cb 0.26 -0.33 0.25 0.00 -2.33 0.00 0.00 43.42 41.28 3kip n LEU 143 CO 0.04 -0.33 0.70 0.59 -1.33 0.00 0.00 177.39 177.07 3kip n ASN 144 N -1.32 3.79 -4.65 -1.43 5.03 -0.57 -4.46 115.26 111.64 3kip n ASN 144 Ca 0.00 -3.03 -0.35 0.00 0.87 0.00 0.00 54.58 52.07 3kip n ASN 144 Cb 0.01 -0.54 -0.10 0.00 -1.02 0.00 0.00 39.78 38.14 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 -2.84 3.25 -0.31 3.10 5.04 -0.31 -4.90 117.35 120.39 3kip s TYR 145 Ca 0.42 0.10 -0.40 0.00 -2.44 0.00 0.00 57.07 54.75 3kip s TYR 145 Cb 0.34 -2.01 -0.15 0.00 0.35 0.00 0.00 41.96 40.49 3kip s TYR 145 CO 0.08 0.24 1.85 1.04 -1.34 0.00 0.00 175.55 177.43 3kip n GLN 146 N 3.18 1.07 0.00 4.97 1.13 -1.26 -1.49 117.38 124.98 3kip n GLN 146 Ca -0.17 0.37 0.08 0.00 -1.94 0.00 0.00 57.00 55.34 3kip n GLN 146 Cb 0.53 -2.13 0.48 0.00 0.11 0.00 0.00 30.24 29.22 3kip n GLN 146 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90