#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fil n GLY 2 N 0.00 -0.11 0.21 0.00 0.00 -1.26 -4.80 105.19 99.23 1fil n GLY 2 Ca 0.00 0.12 0.15 0.00 0.00 0.00 0.00 46.02 46.29 1fil n GLY 2 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1fil h TRP 3 N -1.02 0.00 0.00 1.61 4.06 -2.03 -2.76 115.95 115.80 1fil h TRP 3 Ca -0.48 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.37 1fil h TRP 3 Cb 1.04 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.18 1fil h TRP 3 CO 0.40 0.00 -0.47 -0.91 -3.56 0.00 0.00 178.44 173.90 1fil h ASN 4 N 0.00 0.00 -0.98 -3.49 4.21 -1.91 -2.99 115.58 110.42 1fil h ASN 4 Ca 0.00 0.00 0.09 0.00 1.21 0.00 0.00 56.30 57.60 1fil h ASN 4 Cb 0.31 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 37.44 1fil h ASN 4 CO 0.00 0.47 0.62 0.00 -1.29 0.00 0.00 177.43 177.24 1fil h ALA 5 N 1.53 1.41 -0.16 -0.83 0.00 -1.86 0.11 119.26 119.46 1fil h ALA 5 Ca -0.00 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1fil h ALA 5 Cb 0.95 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1fil h ALA 5 CO 0.06 0.32 -0.39 1.88 0.00 0.00 0.00 179.25 181.12 1fil h TYR 6 N 1.07 0.41 -0.08 0.00 -1.99 -1.70 -1.31 116.97 113.36 1fil h TYR 6 Ca 0.45 -0.11 -0.07 0.00 2.00 0.00 0.00 58.73 61.00 1fil h TYR 6 Cb 0.31 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 38.95 1fil h TYR 6 CO -0.01 0.69 -0.21 0.82 -0.00 0.00 0.00 178.16 179.45 1fil h ILE 7 N 0.29 1.41 -0.42 -2.88 1.08 -1.18 -2.18 117.51 113.64 1fil h ILE 7 Ca 0.03 -1.55 0.06 0.00 -0.39 0.00 0.00 64.86 63.00 1fil h ILE 7 Cb 0.83 2.22 -0.05 0.00 -3.07 0.00 0.00 36.82 36.75 1fil h ILE 7 CO 0.07 0.44 0.13 0.44 -0.69 0.00 0.00 178.15 178.53 1fil h ASP 8 N -0.19 0.11 -0.60 1.72 3.32 -0.74 -0.27 116.42 119.76 1fil h ASP 8 Ca -0.00 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1fil h ASP 8 Cb 0.82 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.40 1fil h ASP 8 CO 0.05 0.09 0.35 0.78 -1.72 0.00 0.00 179.24 178.79 1fil h ASN 9 N 0.28 0.73 -0.00 6.45 2.35 -1.24 -0.94 115.58 123.21 1fil h ASN 9 Ca 0.20 -0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.83 1fil h ASN 9 Cb 0.20 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1fil h ASN 9 CO -0.22 0.59 -0.10 -0.07 -1.65 0.00 0.00 177.43 175.98 1fil h LEU 10 N 0.81 0.22 -0.37 1.61 3.38 -0.73 -2.79 115.31 117.44 1fil h LEU 10 Ca 0.21 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1fil h LEU 10 Cb -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1fil h LEU 10 CO -0.04 0.35 -0.45 0.23 0.09 0.00 0.00 178.44 178.63 1fil n MET 11 N -4.30 0.56 0.01 1.13 2.81 -0.17 -4.50 117.12 112.65 1fil n MET 11 Ca -0.01 -0.37 0.03 0.00 -1.81 0.00 0.00 57.70 55.54 1fil n MET 11 Cb 0.24 -1.49 0.39 0.00 -0.71 0.00 0.00 33.22 31.65 1fil n MET 11 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1fil h ALA 12 N 3.44 1.61 -0.53 3.04 0.00 -0.90 -3.17 119.26 122.75 1fil h ALA 12 Ca 0.00 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.89 1fil h ALA 12 Cb 0.54 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 1fil h ALA 12 CO 0.00 0.32 0.21 0.22 0.00 0.00 0.00 179.25 180.00 1fil h ASP 13 N 0.51 0.24 0.00 0.00 1.82 -1.79 -3.47 116.42 113.73 1fil h ASP 13 Ca 0.13 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.82 1fil h ASP 13 Cb 0.07 0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.11 1fil h ASP 13 CO -0.02 0.16 0.00 0.61 -1.61 0.00 0.00 179.24 178.39 1fil n GLY 14 N -1.27 1.03 0.04 -0.78 0.00 -1.20 -4.91 105.19 98.11 1fil n GLY 14 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.21 1fil n GLY 14 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fil n THR 15 N -2.00 0.23 -4.50 2.61 -2.24 -1.26 -4.86 114.28 102.26 1fil n THR 15 Ca 0.00 -0.11 -0.33 0.00 -2.27 0.00 0.00 64.05 61.34 1fil n THR 15 Cb 0.00 -0.50 -0.11 0.00 -2.10 0.00 0.00 70.33 67.62 1fil n THR 15 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fil n GLN 17 N 1.81 1.93 -3.80 0.00 10.64 0.77 -4.79 117.38 123.94 1fil n GLN 17 Ca -0.16 -0.05 -0.12 0.00 -1.83 0.00 0.00 57.00 54.83 1fil n GLN 17 Cb 0.53 -1.12 -0.09 0.00 -0.86 0.00 0.00 30.24 28.70 1fil n GLN 17 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1fil s ASP 18 N -2.60 -0.11 -0.01 2.61 -1.08 -1.10 -4.98 116.67 109.40 1fil s ASP 18 Ca -0.00 -0.04 -0.26 0.00 -0.52 0.00 0.00 52.55 51.73 1fil s ASP 18 Cb 0.07 0.28 0.06 0.00 -1.46 0.00 0.00 42.92 41.87 1fil s ASP 18 CO 0.43 -0.44 0.58 0.00 0.52 0.00 0.00 175.17 176.26 1fil s ALA 19 N -1.47 -1.50 -0.06 3.66 0.00 -1.26 -0.02 121.76 121.11 1fil s ALA 19 Ca -0.13 0.94 -0.31 0.00 0.00 0.00 0.00 51.96 52.46 1fil s ALA 19 Cb -0.05 0.15 0.07 0.00 0.00 0.00 0.00 23.12 23.29 1fil s ALA 19 CO 0.03 -0.41 0.70 0.00 0.00 0.00 0.00 175.76 176.08 1fil s ALA 20 N -1.65 -1.78 -0.19 0.00 0.00 -0.72 -2.47 121.76 114.96 1fil s ALA 20 Ca -0.09 1.34 -0.01 0.00 0.00 0.00 0.00 51.96 53.20 1fil s ALA 20 Cb -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.06 1fil s ALA 20 CO 0.05 -0.37 -0.13 0.42 0.00 0.00 0.00 175.76 175.74 1fil s ILE 21 N -1.18 2.74 -0.11 0.00 1.01 0.20 -0.96 121.20 122.90 1fil s ILE 21 Ca -0.10 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 59.85 1fil s ILE 21 Cb -0.00 -2.19 0.01 0.00 0.01 0.00 0.00 42.46 40.28 1fil s ILE 21 CO 0.09 0.49 -0.19 -0.69 0.00 0.00 0.00 174.94 174.64 1fil s VAL 22 N 1.21 1.76 0.05 2.92 1.01 -0.26 -0.23 120.40 126.86 1fil s VAL 22 Ca 0.02 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 60.88 1fil s VAL 22 Cb -0.14 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 1fil s VAL 22 CO -0.06 0.49 1.11 -0.83 0.00 0.00 0.00 175.10 175.82 1fil s GLY 23 N 0.70 2.63 -0.01 4.51 0.00 0.14 -0.33 107.32 114.97 1fil s GLY 23 Ca -0.12 0.74 0.05 0.00 0.00 0.00 0.00 44.72 45.39 1fil s GLY 23 CO 0.02 1.87 1.11 1.58 0.00 0.00 0.00 173.10 177.69 1fil n TYR 24 N 3.73 0.20 -3.53 1.90 4.11 -1.20 -1.63 117.16 120.74 1fil n TYR 24 Ca 0.07 -0.52 -0.37 0.00 -0.00 0.00 0.00 57.90 57.08 1fil n TYR 24 Cb 0.48 -0.05 -0.07 0.00 -0.00 0.00 0.00 39.34 39.71 1fil n TYR 24 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 1fil s LYS 25 N -1.07 4.12 0.00 -3.48 -0.14 -1.26 -4.58 119.74 113.33 1fil s LYS 25 Ca 0.11 0.20 0.00 0.00 -1.36 0.00 0.00 55.97 54.91 1fil s LYS 25 Cb 0.06 -3.36 0.00 0.00 -1.68 0.00 0.00 37.83 32.85 1fil s LYS 25 CO 0.07 0.38 0.00 -0.25 -0.76 0.00 0.00 175.35 174.78 1fil n ASP 26 N 3.05 0.00 -3.88 2.83 8.00 -1.26 -4.22 116.55 121.07 1fil n ASP 26 Ca -0.12 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.09 1fil n ASP 26 Cb 0.52 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.49 1fil n ASP 26 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1fil s SER 27 N -0.92 4.34 0.39 -2.24 0.15 -1.26 -5.10 113.70 109.05 1fil s SER 27 Ca 0.00 -3.36 -0.26 0.00 0.70 0.00 0.00 55.95 53.04 1fil s SER 27 Cb 0.00 -1.52 -0.11 0.00 -1.71 0.00 0.00 66.02 62.68 1fil s SER 27 CO 0.00 -0.17 1.10 -2.65 1.20 0.00 0.00 173.24 172.72 1fil n PRO 28 N 2.63 1.57 -3.51 5.44 -0.02 -1.26 -4.86 135.00 134.99 1fil n PRO 28 Ca 0.13 0.56 -0.16 0.00 -2.02 0.00 0.00 63.50 62.01 1fil n PRO 28 Cb 0.34 -2.11 -0.05 0.00 -0.02 0.00 0.00 33.50 31.66 1fil n PRO 28 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1fil s SER 29 N -0.60 -0.59 -0.30 2.55 1.04 -0.64 -4.66 113.70 110.49 1fil s SER 29 Ca 0.61 0.52 -0.29 0.00 0.48 0.00 0.00 55.95 57.27 1fil s SER 29 Cb -0.58 0.51 0.01 0.00 0.10 0.00 0.00 66.02 66.07 1fil s SER 29 CO 0.58 -0.64 1.05 -0.69 0.98 0.00 0.00 173.24 174.53 1fil s VAL 30 N -1.71 4.56 -0.02 5.02 1.01 -1.26 -0.68 120.40 127.32 1fil s VAL 30 Ca -0.07 1.79 0.01 0.00 0.00 0.00 0.00 61.98 63.71 1fil s VAL 30 Cb -0.00 -4.38 -0.26 0.00 0.00 0.00 0.00 36.38 31.74 1fil s VAL 30 CO 0.04 -0.40 0.74 -0.50 0.00 0.00 0.00 175.10 174.99 1fil h TRP 31 N 7.93 0.31 -2.88 5.22 6.55 -0.96 -3.47 115.95 128.65 1fil h TRP 31 Ca -0.20 -0.22 -0.14 0.00 0.95 0.00 0.00 58.89 59.28 1fil h TRP 31 Cb 1.06 -0.01 -0.25 0.00 -0.86 0.00 0.00 29.16 29.10 1fil h TRP 31 CO 0.81 1.33 -0.30 0.00 -1.05 0.00 0.00 178.44 179.23 1fil s ALA 32 N -2.61 -0.87 0.22 1.49 0.00 -0.98 -4.91 121.76 114.10 1fil s ALA 32 Ca -0.10 1.00 -0.21 0.00 0.00 0.00 0.00 51.96 52.65 1fil s ALA 32 Cb 0.07 -0.58 0.04 0.00 0.00 0.00 0.00 23.12 22.65 1fil s ALA 32 CO 0.83 -0.17 0.65 0.00 0.00 0.00 0.00 175.76 177.07 1fil s ALA 33 N 0.19 -1.34 -0.22 0.00 0.00 -1.26 0.62 121.76 119.74 1fil s ALA 33 Ca -0.00 0.02 -0.28 0.00 0.00 0.00 0.00 51.96 51.70 1fil s ALA 33 Cb -0.02 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.97 1fil s ALA 33 CO 0.00 -0.91 0.99 0.08 0.00 0.00 0.00 175.76 175.92 1fil s VAL 34 N -3.85 4.73 0.25 0.00 1.01 -1.03 -4.99 120.40 116.51 1fil s VAL 34 Ca 0.07 1.92 -0.30 0.00 0.00 0.00 0.00 61.98 63.67 1fil s VAL 34 Cb -0.03 -4.26 -0.11 0.00 0.00 0.00 0.00 36.38 31.97 1fil s VAL 34 CO -0.02 -0.14 1.55 -2.84 0.00 0.00 0.00 175.10 173.65 1fil s PRO 35 N 2.99 4.19 0.00 2.72 0.02 -1.26 -3.09 135.00 140.56 1fil s PRO 35 Ca 0.42 2.44 0.00 0.00 0.02 0.00 0.00 61.00 63.89 1fil s PRO 35 Cb -0.15 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.28 1fil s PRO 35 CO 0.07 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.59 1fil n GLY 36 N 2.63 0.68 0.00 0.52 0.00 -1.26 -5.04 105.19 102.72 1fil n GLY 36 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1fil n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fil n LYS 37 N -2.63 3.70 -0.09 1.61 4.76 -1.18 -5.08 118.16 119.25 1fil n LYS 37 Ca 0.00 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.32 1fil n LYS 37 Cb 0.00 0.00 -0.15 0.00 -1.84 0.00 0.00 35.03 33.04 1fil n LYS 37 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1fil n THR 38 N 0.00 1.47 0.20 -0.18 5.66 -1.26 -4.47 114.28 115.70 1fil n THR 38 Ca 0.00 -0.77 0.05 0.00 -3.05 0.00 0.00 64.05 60.29 1fil n THR 38 Cb 0.00 -0.85 0.42 0.00 -1.55 0.00 0.00 70.33 68.36 1fil n THR 38 CO 0.00 0.00 0.00 -0.26 -3.05 0.00 0.00 175.07 171.76 1fil h PHE 39 N 0.00 0.00 0.00 1.09 0.04 -1.89 -2.82 116.94 113.36 1fil h PHE 39 Ca -0.51 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.26 1fil h PHE 39 Cb 2.12 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.27 1fil h PHE 39 CO 0.01 0.33 0.00 1.55 -0.60 0.00 0.00 178.31 179.60 1fil n VAL 40 N -3.83 1.60 -0.47 -0.55 3.14 -1.26 -1.42 118.33 115.54 1fil n VAL 40 Ca -0.01 0.45 0.08 0.00 -2.96 0.00 0.00 64.34 61.90 1fil n VAL 40 Cb 0.41 -1.39 0.23 0.00 -1.06 0.00 0.00 33.84 32.03 1fil n VAL 40 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1fil n ASN 41 N -1.62 3.61 -4.76 6.55 3.02 -1.06 -5.00 115.26 115.99 1fil n ASN 41 Ca 0.01 -2.33 -0.36 0.00 -0.03 0.00 0.00 54.58 51.87 1fil n ASN 41 Cb 0.06 -0.40 0.02 0.00 -0.61 0.00 0.00 39.78 38.85 1fil n ASN 41 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1fil s ILE 42 N -1.59 2.74 0.21 2.41 1.01 -0.50 -4.17 121.20 121.30 1fil s ILE 42 Ca 0.35 0.49 0.10 0.00 0.00 0.00 0.00 60.65 61.60 1fil s ILE 42 Cb 0.23 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 1fil s ILE 42 CO 0.17 -0.07 -0.16 0.42 0.00 0.00 0.00 174.94 175.31 1fil s THR 43 N -1.57 2.80 0.48 2.92 -4.23 -1.26 -4.88 115.64 109.90 1fil s THR 43 Ca 0.73 -1.94 0.25 0.00 -1.18 0.00 0.00 61.69 59.54 1fil s THR 43 Cb -0.30 -2.40 0.43 0.00 1.34 0.00 0.00 72.50 71.57 1fil s THR 43 CO 0.34 -0.19 1.88 -0.65 -0.54 0.00 0.00 174.62 175.46 1fil h PRO 44 N 2.80 0.18 -0.53 3.99 0.11 -1.95 0.10 132.00 136.70 1fil h PRO 44 Ca -0.45 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 1fil h PRO 44 Cb 1.22 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1fil h PRO 44 CO 0.54 0.12 0.08 0.00 -0.21 0.00 0.00 178.00 178.52 1fil h ALA 45 N 1.59 0.71 -0.36 -0.75 0.00 -1.96 0.11 119.26 118.59 1fil h ALA 45 Ca 0.44 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 1fil h ALA 45 Cb 1.43 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1fil h ALA 45 CO -0.09 0.45 -0.35 0.93 0.00 0.00 0.00 179.25 180.20 1fil h GLU 46 N 0.77 0.83 -0.70 0.00 5.08 -1.18 -2.56 114.58 116.82 1fil h GLU 46 Ca 0.16 -0.41 0.07 0.00 -1.00 0.00 0.00 59.36 58.17 1fil h GLU 46 Cb 0.42 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.61 1fil h GLU 46 CO 0.01 1.05 0.39 0.28 -1.00 0.00 0.00 179.01 179.74 1fil h VAL 47 N 0.69 0.95 -1.00 3.13 2.07 -1.03 -1.63 116.25 119.44 1fil h VAL 47 Ca 0.07 -0.24 0.19 0.00 0.82 0.00 0.00 66.70 67.54 1fil h VAL 47 Cb 0.91 0.18 -0.11 0.00 -1.52 0.00 0.00 31.29 30.76 1fil h VAL 47 CO 0.08 0.13 0.61 1.23 0.02 0.00 0.00 177.57 179.64 1fil h GLY 48 N 0.71 1.77 1.43 2.17 0.00 -0.37 -1.05 103.07 107.72 1fil h GLY 48 Ca 0.32 -0.35 -0.18 0.00 0.00 0.00 0.00 47.33 47.11 1fil h GLY 48 CO -0.20 -0.07 -0.67 -2.08 0.00 0.00 0.00 176.54 173.53 1fil h VAL 49 N 0.75 1.33 0.14 4.60 2.07 -1.17 -1.84 116.25 122.13 1fil h VAL 49 Ca 0.58 -1.96 0.00 0.00 0.82 0.00 0.00 66.70 66.14 1fil h VAL 49 Cb 0.92 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 1fil h VAL 49 CO -0.38 0.60 -0.11 -0.07 0.02 0.00 0.00 177.57 177.63 1fil h LEU 50 N 0.41 -0.30 -0.70 2.57 3.38 -0.73 -1.99 115.31 117.95 1fil h LEU 50 Ca -0.02 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1fil h LEU 50 Cb 1.24 0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1fil h LEU 50 CO 0.13 -0.18 0.00 1.33 0.09 0.00 0.00 178.44 179.80 1fil n VAL 51 N -5.23 0.03 -1.58 1.22 0.24 -1.02 -4.94 118.33 107.04 1fil n VAL 51 Ca -0.08 -0.19 -0.39 0.00 -2.04 0.00 0.00 64.34 61.65 1fil n VAL 51 Cb 0.15 0.21 0.04 0.00 -1.47 0.00 0.00 33.84 32.77 1fil n VAL 51 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1fil n GLY 52 N 1.11 -0.55 0.20 7.63 0.00 -0.69 -4.96 105.19 107.93 1fil n GLY 52 Ca 0.20 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 1fil n GLY 52 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1fil h LYS 53 N 0.70 0.50 -5.83 1.61 -0.00 -1.85 -3.40 116.57 108.31 1fil h LYS 53 Ca -0.47 -0.32 -0.60 0.00 -0.00 0.00 0.00 60.65 59.26 1fil h LYS 53 Cb 1.37 0.04 -0.12 0.00 -0.00 0.00 0.00 32.23 33.52 1fil h LYS 53 CO 0.51 0.93 0.69 0.34 -0.00 0.00 0.00 179.45 181.93 1fil s ASP 54 N -6.92 6.23 -0.34 7.07 2.15 -1.26 -4.86 116.67 118.73 1fil s ASP 54 Ca -0.07 -0.64 0.06 0.00 0.43 0.00 0.00 52.55 52.34 1fil s ASP 54 Cb 0.11 -2.46 0.47 0.00 -0.30 0.00 0.00 42.92 40.74 1fil s ASP 54 CO 0.83 -1.48 1.40 0.54 -0.17 0.00 0.00 175.17 176.30 1fil n ARG 55 N 8.08 2.76 -0.11 4.34 1.74 -1.26 -4.74 116.66 127.45 1fil n ARG 55 Ca -0.00 -3.67 -0.21 0.00 -0.77 0.00 0.00 57.85 53.20 1fil n ARG 55 Cb 0.47 -2.08 -0.08 0.00 -1.02 0.00 0.00 32.46 29.74 1fil n ARG 55 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1fil n SER 56 N -0.90 1.91 0.00 0.55 3.41 -1.26 -4.21 113.62 113.11 1fil n SER 56 Ca 0.41 0.40 0.04 0.00 -0.26 0.00 0.00 58.87 59.46 1fil n SER 56 Cb 0.91 -0.86 0.20 0.00 -0.26 0.00 0.00 64.21 64.21 1fil n SER 56 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1fil n SER 57 N -4.38 0.00 0.13 4.04 3.41 -1.26 -3.49 113.62 112.07 1fil n SER 57 Ca -0.36 0.30 -0.11 0.00 -0.26 0.00 0.00 58.87 58.44 1fil n SER 57 Cb 0.70 -0.37 -0.06 0.00 -0.26 0.00 0.00 64.21 64.21 1fil n SER 57 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1fil h PHE 58 N 0.00 -0.95 -0.23 7.33 0.04 -1.79 0.67 116.94 122.00 1fil h PHE 58 Ca 0.00 0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.84 1fil h PHE 58 Cb 0.11 0.39 -0.05 0.00 2.20 0.00 0.00 35.95 38.59 1fil h PHE 58 CO 0.00 -0.41 -0.10 1.88 -0.60 0.00 0.00 178.31 179.08 1fil h TYR 59 N -0.57 -0.24 -0.32 -0.55 0.05 -1.84 0.52 116.97 114.03 1fil h TYR 59 Ca -0.02 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1fil h TYR 59 Cb 0.53 0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.41 1fil h TYR 59 CO -0.29 -0.16 0.00 1.33 -1.05 0.00 0.00 178.16 177.99 1fil n VAL 60 N -5.26 0.43 0.00 -2.88 0.24 -1.14 -4.32 118.33 105.40 1fil n VAL 60 Ca -0.01 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 1fil n VAL 60 Cb 0.18 0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.79 1fil n VAL 60 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1fil n ASN 61 N 0.48 0.00 0.00 -1.34 4.13 0.23 -5.05 115.26 113.70 1fil n ASN 61 Ca 0.12 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.38 1fil n ASN 61 Cb 0.29 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.53 1fil n ASN 61 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1fil n GLY 62 N 0.11 -0.50 2.76 7.41 0.00 0.18 -4.96 105.19 110.19 1fil n GLY 62 Ca 0.00 -1.11 -0.03 0.00 0.00 0.00 0.00 46.02 44.88 1fil n GLY 62 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1fil n LEU 63 N 0.00 0.00 -4.16 0.99 -0.00 -0.26 -4.51 117.00 109.06 1fil n LEU 63 Ca 0.00 -1.23 -0.15 0.00 -0.00 0.00 0.00 56.01 54.63 1fil n LEU 63 Cb 0.00 2.19 -0.11 0.00 -0.00 0.00 0.00 43.42 45.50 1fil n LEU 63 CO 0.00 -0.41 -0.42 0.42 -0.00 0.00 0.00 177.39 176.98 1fil s THR 64 N -2.23 0.92 -0.08 1.47 -4.23 -1.26 0.99 115.64 111.23 1fil s THR 64 Ca 0.15 -1.48 -0.03 0.00 -1.18 0.00 0.00 61.69 59.15 1fil s THR 64 Cb -0.02 -1.18 0.04 0.00 1.34 0.00 0.00 72.50 72.67 1fil s THR 64 CO 0.05 -0.45 0.07 -0.76 -0.54 0.00 0.00 174.62 172.98 1fil s LEU 65 N -2.16 0.19 -1.86 4.79 1.43 0.22 -4.78 118.68 116.52 1fil s LEU 65 Ca 0.01 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 1fil s LEU 65 Cb -0.06 -0.17 0.00 0.00 0.03 0.00 0.00 46.19 46.00 1fil s LEU 65 CO 0.01 -0.28 0.00 0.61 0.23 0.00 0.00 176.35 176.92 1fil n GLY 66 N 5.29 0.16 0.87 -3.19 0.00 -1.26 -1.58 105.19 105.49 1fil n GLY 66 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1fil n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fil n GLY 67 N -0.87 3.26 3.71 -0.02 0.00 -1.26 -4.80 105.19 105.21 1fil n GLY 67 Ca -0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 1fil n GLY 67 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fil s GLN 68 N -0.58 4.38 0.23 1.61 2.00 -0.61 -4.99 119.66 121.69 1fil s GLN 68 Ca 0.00 1.91 -0.30 0.00 -2.00 0.00 0.00 55.36 54.97 1fil s GLN 68 Cb 0.00 -3.31 -0.09 0.00 0.80 0.00 0.00 33.01 30.41 1fil s GLN 68 CO 0.00 -0.35 0.94 0.21 -0.50 0.00 0.00 175.29 175.59 1fil s LYS 69 N 1.15 4.84 0.09 1.67 2.47 -1.26 -0.61 119.74 128.08 1fil s LYS 69 Ca 0.61 1.48 0.02 0.00 -1.56 0.00 0.00 55.97 56.53 1fil s LYS 69 Cb -0.33 -3.29 -0.04 0.00 -1.46 0.00 0.00 37.83 32.72 1fil s LYS 69 CO 0.29 0.49 -0.07 0.00 0.16 0.00 0.00 175.35 176.22 1fil s SER 71 N -2.77 4.79 -0.24 0.00 0.15 -0.95 -1.10 113.70 113.58 1fil s SER 71 Ca 0.08 -0.17 -0.09 0.00 0.70 0.00 0.00 55.95 56.48 1fil s SER 71 Cb 0.02 -1.12 -0.04 0.00 -1.71 0.00 0.00 66.02 63.17 1fil s SER 71 CO -0.03 0.24 0.11 -0.69 1.20 0.00 0.00 173.24 174.06 1fil s VAL 72 N -1.13 4.79 -0.21 4.45 1.01 -1.26 -2.17 120.40 125.88 1fil s VAL 72 Ca 0.21 -0.02 -0.05 0.00 0.00 0.00 0.00 61.98 62.12 1fil s VAL 72 Cb -0.11 -3.23 -0.20 0.00 0.00 0.00 0.00 36.38 32.84 1fil s VAL 72 CO 0.12 0.35 0.02 -0.38 0.00 0.00 0.00 175.10 175.21 1fil n ILE 73 N 4.51 1.61 -3.81 2.22 2.08 0.83 -4.78 119.36 122.03 1fil n ILE 73 Ca -0.16 -0.53 -0.13 0.00 0.56 0.00 0.00 62.75 62.50 1fil n ILE 73 Cb 0.52 -1.65 -0.12 0.00 -0.75 0.00 0.00 39.64 37.64 1fil n ILE 73 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 1fil s ARG 74 N -2.52 0.25 -0.23 0.38 0.52 -0.83 -4.98 118.95 111.55 1fil s ARG 74 Ca -0.30 0.25 -0.03 0.00 -0.52 0.00 0.00 55.73 55.12 1fil s ARG 74 Cb 0.09 0.12 0.08 0.00 0.52 0.00 0.00 34.95 35.75 1fil s ARG 74 CO 0.65 -0.03 0.08 0.34 0.02 0.00 0.00 175.30 176.36 1fil s ASP 75 N 0.04 3.05 -0.06 0.23 2.15 -1.26 -0.87 116.67 119.94 1fil s ASP 75 Ca -0.01 -0.99 0.08 0.00 0.43 0.00 0.00 52.55 52.07 1fil s ASP 75 Cb -0.02 -0.47 0.13 0.00 -0.30 0.00 0.00 42.92 42.26 1fil s ASP 75 CO 0.00 -0.37 1.07 -1.20 -0.17 0.00 0.00 175.17 174.50 1fil n SER 76 N 5.14 1.02 -0.21 -0.34 7.64 -0.74 -4.89 113.62 121.24 1fil n SER 76 Ca -0.07 -2.47 0.01 0.00 1.01 0.00 0.00 58.87 57.35 1fil n SER 76 Cb 0.46 -0.30 0.11 0.00 -1.01 0.00 0.00 64.21 63.47 1fil n SER 76 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1fil h LEU 77 N 0.00 -0.19 0.00 -3.43 7.12 -1.68 -1.98 115.31 115.16 1fil h LEU 77 Ca -0.00 0.14 -0.08 0.00 0.13 0.00 0.00 57.88 58.07 1fil h LEU 77 Cb 1.23 0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 41.58 1fil h LEU 77 CO 0.00 -0.08 -1.73 0.18 -0.13 0.00 0.00 178.44 176.67 1fil n LEU 78 N -5.24 0.33 -4.71 2.25 4.77 -1.26 -4.22 117.00 108.93 1fil n LEU 78 Ca 0.09 0.14 -0.42 0.00 -0.03 0.00 0.00 56.01 55.79 1fil n LEU 78 Cb 0.36 0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.49 1fil n LEU 78 CO 0.12 0.05 1.42 0.00 -1.33 0.00 0.00 177.39 177.66 1fil n GLN 79 N -2.53 2.81 -1.79 3.23 6.02 -1.05 -4.89 117.38 119.19 1fil n GLN 79 Ca -0.08 1.02 -0.34 0.00 -0.01 0.00 0.00 57.00 57.58 1fil n GLN 79 Cb 0.70 -2.89 0.05 0.00 1.02 0.00 0.00 30.24 29.12 1fil n GLN 79 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1fil s ASP 80 N 1.85 4.96 0.00 1.08 1.11 -1.26 -2.22 116.67 122.18 1fil s ASP 80 Ca 0.78 2.20 0.00 0.00 0.18 0.00 0.00 52.55 55.70 1fil s ASP 80 Cb -0.49 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 40.93 1fil s ASP 80 CO 0.34 -1.74 0.00 0.61 1.18 0.00 0.00 175.17 175.56 1fil n GLY 81 N 0.02 1.87 0.13 0.21 0.00 -1.26 -4.68 105.19 101.48 1fil n GLY 81 Ca 0.12 -0.58 -0.04 0.00 0.00 0.00 0.00 46.02 45.52 1fil n GLY 81 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1fil h GLU 82 N 0.00 -0.23 -2.66 1.61 4.39 -1.84 -3.48 114.58 112.37 1fil h GLU 82 Ca 0.00 0.02 -0.37 0.00 0.34 0.00 0.00 59.36 59.35 1fil h GLU 82 Cb 0.00 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1fil h GLU 82 CO 0.00 -0.16 -0.47 1.19 -1.16 0.00 0.00 179.01 178.41 1fil n PHE 83 N -4.66 -0.90 -4.05 4.33 3.72 -0.77 -4.90 117.46 110.24 1fil n PHE 83 Ca -0.03 0.01 -0.08 0.00 -0.05 0.00 0.00 57.45 57.30 1fil n PHE 83 Cb 0.10 -3.64 -0.09 0.00 -0.94 0.00 0.00 39.48 34.90 1fil n PHE 83 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1fil s SER 84 N -2.18 0.39 -0.02 4.37 1.04 -1.05 -0.21 113.70 116.04 1fil s SER 84 Ca 0.01 -0.95 0.01 0.00 0.48 0.00 0.00 55.95 55.50 1fil s SER 84 Cb -0.00 0.24 0.02 0.00 0.10 0.00 0.00 66.02 66.38 1fil s SER 84 CO 0.01 -0.64 -0.02 -0.32 0.98 0.00 0.00 173.24 173.25 1fil s MET 85 N -3.92 0.37 -0.18 4.02 0.00 0.19 -1.79 119.30 117.98 1fil s MET 85 Ca 0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 55.69 55.72 1fil s MET 85 Cb 0.07 -0.46 -0.02 0.00 0.00 0.00 0.00 34.83 34.42 1fil s MET 85 CO -0.09 -0.06 -0.05 -0.51 0.00 0.00 0.00 175.02 174.32 1fil s ASP 86 N 0.63 4.51 0.35 1.11 1.01 -0.05 0.67 116.67 124.90 1fil s ASP 86 Ca -0.07 -0.26 0.06 0.00 0.71 0.00 0.00 52.55 52.99 1fil s ASP 86 Cb -0.10 -1.75 -0.07 0.00 1.01 0.00 0.00 42.92 42.01 1fil s ASP 86 CO -0.01 0.08 0.01 -0.76 0.21 0.00 0.00 175.17 174.71 1fil s LEU 87 N 0.88 2.53 -0.07 1.23 1.02 -0.01 -0.12 118.68 124.13 1fil s LEU 87 Ca -0.01 -1.34 0.00 0.00 0.02 0.00 0.00 54.13 52.81 1fil s LEU 87 Cb -0.15 -0.65 0.02 0.00 0.02 0.00 0.00 46.19 45.43 1fil s LEU 87 CO 0.01 -0.48 -0.05 -0.13 0.02 0.00 0.00 176.35 175.72 1fil s ARG 88 N -3.78 1.06 0.88 1.70 0.52 -0.92 -1.11 118.95 117.30 1fil s ARG 88 Ca 0.35 -0.13 -0.12 0.00 -0.52 0.00 0.00 55.73 55.31 1fil s ARG 88 Cb 0.08 -1.12 0.11 0.00 0.52 0.00 0.00 34.95 34.54 1fil s ARG 88 CO 0.16 -0.16 1.07 0.25 0.02 0.00 0.00 175.30 176.64 1fil n THR 89 N 4.47 0.80 -3.65 0.02 -2.24 0.31 -2.25 114.28 111.74 1fil n THR 89 Ca -0.17 -0.11 -0.36 0.00 -2.27 0.00 0.00 64.05 61.14 1fil n THR 89 Cb 0.51 -1.03 -0.09 0.00 -2.10 0.00 0.00 70.33 67.62 1fil n THR 89 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1fil s LYS 90 N -4.28 4.13 0.40 -0.78 1.02 -0.36 -4.56 119.74 115.30 1fil s LYS 90 Ca 0.68 -0.19 0.08 0.00 0.02 0.00 0.00 55.97 56.56 1fil s LYS 90 Cb -0.25 -3.49 -0.08 0.00 -0.52 0.00 0.00 37.83 33.49 1fil s LYS 90 CO 0.56 0.14 -0.01 -1.12 -0.92 0.00 0.00 175.35 174.01 1fil s SER 91 N 0.78 3.86 1.04 2.83 0.01 -1.26 -4.78 113.70 116.19 1fil s SER 91 Ca 0.09 -1.33 -0.14 0.00 1.31 0.00 0.00 55.95 55.88 1fil s SER 91 Cb -0.13 -0.39 0.19 0.00 0.21 0.00 0.00 66.02 65.91 1fil s SER 91 CO 0.03 -0.40 1.02 0.35 0.41 0.00 0.00 173.24 174.65 1fil n THR 92 N -0.94 0.00 -1.54 1.44 -2.24 -1.26 -4.85 114.28 104.89 1fil n THR 92 Ca -0.05 -0.70 -0.40 0.00 -2.27 0.00 0.00 64.05 60.63 1fil n THR 92 Cb 0.66 -1.52 -0.05 0.00 -2.10 0.00 0.00 70.33 67.33 1fil n THR 92 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fil n GLY 93 N -2.24 0.31 2.57 3.38 0.00 -1.26 -1.64 105.19 106.30 1fil n GLY 93 Ca 0.13 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.93 1fil n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fil n GLY 94 N 6.10 1.07 3.78 -0.02 0.00 -1.26 -5.03 105.19 109.83 1fil n GLY 94 Ca 0.40 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.06 1fil n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fil s ALA 95 N -3.64 2.92 0.22 4.61 0.00 -0.65 -4.98 121.76 120.25 1fil s ALA 95 Ca 0.00 0.77 -0.30 0.00 0.00 0.00 0.00 51.96 52.43 1fil s ALA 95 Cb 0.00 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.72 1fil s ALA 95 CO 0.00 -0.47 1.10 -1.25 0.00 0.00 0.00 175.76 175.14 1fil s PRO 96 N -2.91 4.62 0.30 0.00 0.04 -1.26 -4.67 135.00 131.12 1fil s PRO 96 Ca 0.65 1.75 0.07 0.00 0.04 0.00 0.00 61.00 63.51 1fil s PRO 96 Cb -0.23 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.05 1fil s PRO 96 CO 0.27 0.14 0.30 0.95 0.04 0.00 0.00 177.00 178.70 1fil s THR 97 N -0.65 4.06 0.08 1.26 -4.23 -1.26 -4.86 115.64 110.02 1fil s THR 97 Ca 0.47 -1.29 0.07 0.00 -1.18 0.00 0.00 61.69 59.76 1fil s THR 97 Cb -0.30 -3.35 -0.03 0.00 1.34 0.00 0.00 72.50 70.16 1fil s THR 97 CO 0.37 -0.24 -0.20 -0.36 -0.54 0.00 0.00 174.62 173.66 1fil s PHE 98 N -2.20 1.69 0.11 3.99 0.08 -1.26 -4.77 117.98 115.60 1fil s PHE 98 Ca 0.38 -0.40 -0.23 0.00 0.12 0.00 0.00 56.93 56.80 1fil s PHE 98 Cb -0.07 -0.96 -0.07 0.00 -0.57 0.00 0.00 43.02 41.35 1fil s PHE 98 CO 0.27 0.14 0.70 -0.80 -0.10 0.00 0.00 175.22 175.43 1fil s ASN 99 N -1.60 7.23 -0.00 1.36 0.01 -1.26 -0.53 114.94 120.14 1fil s ASN 99 Ca 0.05 1.46 0.03 0.00 -0.71 0.00 0.00 52.86 53.70 1fil s ASN 99 Cb -0.09 -2.44 -0.01 0.00 0.41 0.00 0.00 41.25 39.12 1fil s ASN 99 CO 0.03 0.19 -0.11 -0.69 -1.51 0.00 0.00 177.10 175.02 1fil s VAL 100 N -0.89 0.83 -0.01 1.60 1.01 -0.27 -1.74 120.40 120.93 1fil s VAL 100 Ca 0.34 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.85 1fil s VAL 100 Cb -0.21 -0.71 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 1fil s VAL 100 CO 0.23 0.19 -0.13 -0.89 0.00 0.00 0.00 175.10 174.50 1fil s THR 101 N -0.33 1.00 -0.12 3.92 2.01 -0.61 -0.83 115.64 120.68 1fil s THR 101 Ca 0.03 -0.54 0.03 0.00 0.31 0.00 0.00 61.69 61.52 1fil s THR 101 Cb -0.04 -0.84 0.01 0.00 0.01 0.00 0.00 72.50 71.63 1fil s THR 101 CO -0.00 0.28 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.31 1fil s VAL 102 N -0.27 1.96 0.00 3.82 1.01 0.21 -1.93 120.40 125.20 1fil s VAL 102 Ca 0.04 -0.94 0.07 0.00 0.00 0.00 0.00 61.98 61.16 1fil s VAL 102 Cb -0.05 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 1fil s VAL 102 CO -0.00 0.53 -0.22 -0.89 0.00 0.00 0.00 175.10 174.52 1fil s THR 103 N 0.67 1.75 -0.16 3.92 2.01 -0.54 0.53 115.64 123.82 1fil s THR 103 Ca -0.11 -1.03 -0.04 0.00 0.31 0.00 0.00 61.69 60.82 1fil s THR 103 Cb -0.16 -1.47 -0.03 0.00 0.01 0.00 0.00 72.50 70.85 1fil s THR 103 CO 0.02 0.42 -0.03 -0.75 -0.69 0.00 0.00 174.62 173.58 1fil s LYS 104 N -0.72 3.68 0.00 4.92 2.20 0.71 0.76 119.74 131.28 1fil s LYS 104 Ca 0.09 -0.51 0.00 0.00 -0.36 0.00 0.00 55.97 55.18 1fil s LYS 104 Cb -0.09 -2.94 0.00 0.00 -1.51 0.00 0.00 37.83 33.30 1fil s LYS 104 CO -0.00 0.22 0.00 0.25 -0.36 0.00 0.00 175.35 175.46 1fil n THR 105 N 3.59 0.00 -0.15 3.43 -2.24 0.74 -4.92 114.28 114.73 1fil n THR 105 Ca -0.17 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.52 1fil n THR 105 Cb 0.52 -0.75 -0.00 0.00 -2.10 0.00 0.00 70.33 68.00 1fil n THR 105 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1fil h ASP 106 N 0.00 0.62 -0.00 3.42 3.32 -1.95 -3.35 116.42 118.48 1fil h ASP 106 Ca 0.00 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1fil h ASP 106 Cb 0.00 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.39 1fil h ASP 106 CO 0.00 0.64 -0.00 0.29 -1.72 0.00 0.00 179.24 178.45 1fil n LYS 107 N -4.59 1.19 -4.18 3.56 5.02 -0.88 -5.01 118.16 113.26 1fil n LYS 107 Ca 0.00 -0.37 -0.13 0.00 -2.02 0.00 0.00 58.31 55.80 1fil n LYS 107 Cb 0.17 -0.87 -0.09 0.00 -0.02 0.00 0.00 35.03 34.22 1fil n LYS 107 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1fil s THR 108 N -0.28 0.00 -0.11 -0.18 -4.23 -1.21 -3.26 115.64 106.37 1fil s THR 108 Ca 0.00 -1.90 0.03 0.00 -1.18 0.00 0.00 61.69 58.64 1fil s THR 108 Cb 0.00 -2.47 -0.00 0.00 1.34 0.00 0.00 72.50 71.37 1fil s THR 108 CO 0.00 0.00 -0.21 -0.76 -0.54 0.00 0.00 174.62 173.12 1fil s LEU 109 N -3.18 2.29 -0.22 4.79 1.02 0.55 -0.19 118.68 123.75 1fil s LEU 109 Ca 0.37 -0.48 -0.08 0.00 0.02 0.00 0.00 54.13 53.95 1fil s LEU 109 Cb 0.05 -1.47 -0.04 0.00 0.02 0.00 0.00 46.19 44.75 1fil s LEU 109 CO 0.14 0.16 0.09 -0.69 0.02 0.00 0.00 176.35 176.07 1fil s VAL 110 N 0.33 4.76 0.03 -1.59 1.01 0.23 -1.11 120.40 124.07 1fil s VAL 110 Ca -0.16 -0.03 0.07 0.00 0.00 0.00 0.00 61.98 61.86 1fil s VAL 110 Cb -0.17 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 1fil s VAL 110 CO 0.08 0.39 -0.19 -0.76 0.00 0.00 0.00 175.10 174.63 1fil s LEU 111 N 0.92 2.56 -0.06 3.92 1.02 -0.14 -1.47 118.68 125.43 1fil s LEU 111 Ca 0.05 -0.42 -0.04 0.00 0.02 0.00 0.00 54.13 53.73 1fil s LEU 111 Cb -0.14 -1.49 0.02 0.00 0.02 0.00 0.00 46.19 44.60 1fil s LEU 111 CO 0.03 0.27 0.14 -0.22 0.02 0.00 0.00 176.35 176.59 1fil s LEU 112 N -1.33 1.29 -0.08 1.79 2.96 -0.81 -1.75 118.68 120.75 1fil s LEU 112 Ca 0.14 0.29 0.03 0.00 -0.22 0.00 0.00 54.13 54.37 1fil s LEU 112 Cb -0.10 0.46 0.01 0.00 0.50 0.00 0.00 46.19 47.05 1fil s LEU 112 CO 0.04 -0.07 -0.18 -0.32 -1.32 0.00 0.00 176.35 174.50 1fil s MET 113 N 0.33 2.31 0.52 1.98 -2.45 0.97 -1.57 119.30 121.39 1fil s MET 113 Ca -0.02 -0.63 0.01 0.00 -1.25 0.00 0.00 55.69 53.79 1fil s MET 113 Cb -0.03 -1.82 0.02 0.00 1.25 0.00 0.00 34.83 34.25 1fil s MET 113 CO -0.01 0.11 0.74 0.20 1.05 0.00 0.00 175.02 177.11 1fil s GLY 114 N 0.48 1.74 0.75 2.11 0.00 -0.71 -0.16 107.32 111.52 1fil s GLY 114 Ca -0.16 -1.23 -0.09 0.00 0.00 0.00 0.00 44.72 43.24 1fil s GLY 114 CO 0.06 -0.98 1.10 0.54 0.00 0.00 0.00 173.10 173.82 1fil s LYS 115 N -4.70 2.11 0.41 2.90 1.02 -0.33 -4.46 119.74 116.69 1fil s LYS 115 Ca 0.54 -0.05 -0.26 0.00 0.02 0.00 0.00 55.97 56.22 1fil s LYS 115 Cb -0.10 -2.06 -0.10 0.00 -0.52 0.00 0.00 37.83 35.05 1fil s LYS 115 CO 0.38 -1.40 1.32 -1.91 -0.92 0.00 0.00 175.35 172.82 1fil n GLU 116 N -3.11 2.08 -0.99 1.68 2.13 -1.26 -2.56 120.64 118.60 1fil n GLU 116 Ca 0.08 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.64 1fil n GLU 116 Cb 0.61 -2.44 0.00 0.00 0.27 0.00 0.00 31.44 29.88 1fil n GLU 116 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1fil n GLY 117 N 0.74 0.39 3.68 8.31 0.00 -1.26 -5.02 105.19 112.02 1fil n GLY 117 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1fil n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fil s VAL 118 N -1.83 5.25 0.45 1.61 1.01 -1.06 -5.05 120.40 120.78 1fil s VAL 118 Ca 0.00 0.56 -0.24 0.00 0.00 0.00 0.00 61.98 62.30 1fil s VAL 118 Cb 0.00 -3.66 -0.09 0.00 0.00 0.00 0.00 36.38 32.63 1fil s VAL 118 CO 0.00 0.29 1.18 1.41 0.00 0.00 0.00 175.10 177.99 1fil n HIS 119 N 4.29 1.78 -0.16 5.22 8.25 -1.26 -4.75 115.22 128.59 1fil n HIS 119 Ca -0.10 0.51 -0.06 0.00 -0.26 0.00 0.00 57.72 57.81 1fil n HIS 119 Cb 0.51 -2.32 0.12 0.00 1.12 0.00 0.00 29.99 29.42 1fil n HIS 119 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1fil h GLY 120 N 1.74 1.00 0.96 -1.41 0.00 -1.96 -2.28 103.07 101.11 1fil h GLY 120 Ca -0.47 -0.66 0.13 0.00 0.00 0.00 0.00 47.33 46.33 1fil h GLY 120 CO 0.58 0.61 0.40 -1.33 0.00 0.00 0.00 176.54 176.79 1fil h GLY 121 N 1.01 0.30 1.04 4.60 0.00 -1.99 0.13 103.07 108.16 1fil h GLY 121 Ca 0.17 -0.08 -0.33 0.00 0.00 0.00 0.00 47.33 47.09 1fil h GLY 121 CO 0.02 0.04 -1.52 -2.00 0.00 0.00 0.00 176.54 173.07 1fil h LEU 122 N 0.19 0.71 -0.50 3.11 5.85 -1.80 -2.46 115.31 120.42 1fil h LEU 122 Ca 0.27 -0.93 -0.03 0.00 0.84 0.00 0.00 57.88 58.04 1fil h LEU 122 Cb 0.81 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1fil h LEU 122 CO -0.05 1.71 0.20 0.40 -0.34 0.00 0.00 178.44 180.37 1fil h ILE 123 N 0.06 1.21 -0.26 4.05 1.08 -0.79 -2.09 117.51 120.76 1fil h ILE 123 Ca -0.28 -0.64 0.03 0.00 -0.39 0.00 0.00 64.86 63.57 1fil h ILE 123 Cb 2.08 0.71 -0.03 0.00 -3.07 0.00 0.00 36.82 36.51 1fil h ILE 123 CO 0.22 0.24 0.09 -1.13 -0.69 0.00 0.00 178.15 176.88 1fil h ASN 124 N 0.66 0.10 -0.40 1.72 -0.73 -0.92 -1.44 115.58 114.56 1fil h ASN 124 Ca 0.17 0.03 0.02 0.00 1.87 0.00 0.00 56.30 58.38 1fil h ASN 124 Cb 0.19 0.02 -0.03 0.00 0.27 0.00 0.00 38.32 38.77 1fil h ASN 124 CO -0.01 0.09 0.24 0.50 -0.37 0.00 0.00 177.43 177.88 1fil h LYS 125 N 0.21 0.47 -0.22 6.67 3.64 -1.29 -1.10 116.57 124.96 1fil h LYS 125 Ca 0.12 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.35 1fil h LYS 125 Cb 0.08 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1fil h LYS 125 CO -0.12 0.31 -0.36 0.87 -2.27 0.00 0.00 179.45 177.89 1fil h LYS 126 N 0.49 0.47 -0.09 1.90 1.57 -1.16 -1.79 116.57 117.96 1fil h LYS 126 Ca 0.16 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 1fil h LYS 126 Cb 0.00 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 1fil h LYS 126 CO -0.07 0.76 -0.11 0.00 -0.57 0.00 0.00 179.45 179.46 1fil h TYR 128 N -0.21 -0.25 0.00 0.00 3.20 -1.23 0.54 116.97 119.01 1fil h TYR 128 Ca 0.01 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.82 1fil h TYR 128 Cb 0.65 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.05 1fil h TYR 128 CO 0.10 -0.16 -0.36 0.93 -1.64 0.00 0.00 178.16 177.03 1fil h GLU 129 N -0.10 0.00 -0.12 1.82 5.08 -1.39 -1.22 114.58 118.65 1fil h GLU 129 Ca 0.09 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.31 1fil h GLU 129 Cb 0.24 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.50 1fil h GLU 129 CO -0.22 0.36 -0.50 1.98 -1.00 0.00 0.00 179.01 179.62 1fil h MET 130 N 0.00 0.55 -0.86 2.33 4.05 -0.94 -2.11 114.93 117.96 1fil h MET 130 Ca -0.00 -0.44 -0.01 0.00 -0.28 0.00 0.00 59.70 58.97 1fil h MET 130 Cb 0.66 0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 31.50 1fil h MET 130 CO 0.05 1.06 0.48 0.00 0.23 0.00 0.00 176.91 178.72 1fil h ALA 131 N 0.50 1.09 -0.78 0.39 0.00 -0.70 -1.58 119.26 118.18 1fil h ALA 131 Ca -0.03 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1fil h ALA 131 Cb 1.14 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1fil h ALA 131 CO 0.11 0.59 0.52 0.77 0.00 0.00 0.00 179.25 181.24 1fil h SER 132 N 1.19 0.87 -0.24 0.00 0.02 -1.15 -1.25 113.55 113.00 1fil h SER 132 Ca 0.30 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.22 1fil h SER 132 Cb 0.02 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 1fil h SER 132 CO -0.05 0.62 0.08 -0.74 -1.14 0.00 0.00 176.83 175.59 1fil h HIS 133 N 1.02 0.38 -0.46 3.45 6.17 -0.61 -3.17 115.15 121.93 1fil h HIS 133 Ca 0.30 -0.04 -0.12 0.00 0.71 0.00 0.00 60.37 61.22 1fil h HIS 133 Cb -0.05 -0.11 -0.02 0.00 2.52 0.00 0.00 27.41 29.75 1fil h HIS 133 CO -0.00 0.44 -0.17 -0.07 0.71 0.00 0.00 177.93 178.83 1fil h LEU 134 N 0.22 0.91 -1.88 0.26 3.38 -0.41 -2.83 115.31 114.96 1fil h LEU 134 Ca 0.08 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1fil h LEU 134 Cb 0.23 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1fil h LEU 134 CO -0.00 1.07 0.04 0.03 0.09 0.00 0.00 178.44 179.67 1fil h ARG 135 N 0.79 0.00 0.00 1.13 3.08 -1.32 -1.66 114.38 116.41 1fil h ARG 135 Ca 0.12 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 1fil h ARG 135 Cb 0.71 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 1fil h ARG 135 CO 0.05 0.00 -0.44 0.00 -1.07 0.00 0.00 179.97 178.51 1fil h ARG 136 N 0.00 0.00 -0.64 0.04 3.08 -1.52 -2.76 114.38 112.59 1fil h ARG 136 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1fil h ARG 136 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1fil h ARG 136 CO 0.00 0.44 0.00 0.43 -1.07 0.00 0.00 179.97 179.77 1fil n SER 137 N -3.38 4.64 -3.42 7.04 7.64 -0.67 -4.90 113.62 120.56 1fil n SER 137 Ca 0.01 -2.56 -0.17 0.00 1.01 0.00 0.00 58.87 57.16 1fil n SER 137 Cb 0.62 -0.59 0.02 0.00 -1.01 0.00 0.00 64.21 63.25 1fil n SER 137 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1fil n GLN 138 N 0.82 -1.45 0.00 1.43 0.00 -1.04 -5.12 117.38 112.03 1fil n GLN 138 Ca 0.24 0.95 0.00 0.00 -0.00 0.00 0.00 57.00 58.19 1fil n GLN 138 Cb 0.92 -4.56 0.00 0.00 0.00 0.00 0.00 30.24 26.60 1fil n GLN 138 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72