#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1snk h ASP 3 N 0.00 0.94 -3.87 3.54 1.82 -2.01 -3.45 116.42 113.39 1snk h ASP 3 Ca 0.00 -0.16 -0.13 0.00 -0.39 0.00 0.00 57.03 56.36 1snk h ASP 3 Cb 0.00 -0.24 -0.24 0.00 0.68 0.00 0.00 39.33 39.53 1snk h ASP 3 CO 0.00 0.83 -0.26 -0.55 -1.61 0.00 0.00 179.24 177.65 1snk s SER 4 N -6.17 -0.41 -0.00 2.28 0.15 -1.26 -4.80 113.70 103.49 1snk s SER 4 Ca -0.13 0.78 0.03 0.00 0.70 0.00 0.00 55.95 57.33 1snk s SER 4 Cb 0.14 0.79 -0.01 0.00 -1.71 0.00 0.00 66.02 65.24 1snk s SER 4 CO 0.81 -0.14 -0.08 -0.69 1.20 0.00 0.00 173.24 174.34 1snk s VAL 5 N 0.22 0.67 -0.39 4.45 1.01 -0.52 -4.98 120.40 120.85 1snk s VAL 5 Ca -0.00 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.63 1snk s VAL 5 Cb -0.03 -0.56 0.16 0.00 0.00 0.00 0.00 36.38 35.95 1snk s VAL 5 CO 0.00 0.17 0.42 -0.62 0.00 0.00 0.00 175.10 175.07 1snk s ASP 6 N -0.25 0.84 0.67 3.32 -1.08 -1.26 -0.21 116.67 118.69 1snk s ASP 6 Ca 0.03 -1.76 0.33 0.00 -0.52 0.00 0.00 52.55 50.64 1snk s ASP 6 Cb -0.03 0.62 1.81 0.00 -1.46 0.00 0.00 42.92 43.86 1snk s ASP 6 CO -0.00 -0.22 2.02 1.88 0.52 0.00 0.00 175.17 179.37 1snk h TYR 7 N 6.68 0.00 0.00 -5.34 0.05 -1.41 0.26 116.97 117.22 1snk h TYR 7 Ca 0.08 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.82 1snk h TYR 7 Cb 1.05 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.78 1snk h TYR 7 CO 0.29 0.00 -0.20 0.00 -1.05 0.00 0.00 178.16 177.20 1snk h ARG 8 N 0.00 0.00 0.00 4.88 3.08 -1.94 -1.75 114.38 118.64 1snk h ARG 8 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1snk h ARG 8 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1snk h ARG 8 CO -0.00 0.20 0.00 0.87 -1.07 0.00 0.00 179.97 179.97 1snk h LYS 9 N 0.00 0.00 -0.05 0.04 1.57 -1.34 -2.79 116.57 114.01 1snk h LYS 9 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1snk h LYS 9 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1snk h LYS 9 CO 0.03 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.54 1snk n LYS 10 N -2.37 1.10 -2.75 3.15 5.02 -0.71 -4.99 118.16 116.61 1snk n LYS 10 Ca 0.03 -1.40 -0.09 0.00 -2.02 0.00 0.00 58.31 54.83 1snk n LYS 10 Cb 0.29 -1.28 0.02 0.00 -0.02 0.00 0.00 35.03 34.04 1snk n LYS 10 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1snk n GLY 11 N 0.80 0.34 0.15 0.72 0.00 -1.01 -4.94 105.19 101.24 1snk n GLY 11 Ca 0.09 -0.38 0.11 0.00 0.00 0.00 0.00 46.02 45.84 1snk n GLY 11 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1snk n TYR 12 N -3.54 0.00 -4.95 1.61 4.02 -0.90 -4.84 117.16 108.57 1snk n TYR 12 Ca -0.02 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.55 1snk n TYR 12 Cb 0.53 -0.07 -0.15 0.00 -0.02 0.00 0.00 39.34 39.63 1snk n TYR 12 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1snk s VAL 13 N -2.81 2.67 0.75 -0.72 1.01 -1.26 -4.01 120.40 116.02 1snk s VAL 13 Ca 0.13 -0.80 -0.09 0.00 0.00 0.00 0.00 61.98 61.23 1snk s VAL 13 Cb 0.17 -2.09 0.07 0.00 0.00 0.00 0.00 36.38 34.54 1snk s VAL 13 CO 0.72 0.54 1.08 0.42 0.00 0.00 0.00 175.10 177.86 1snk s THR 14 N 0.34 2.17 0.92 3.92 -4.23 -1.26 -4.99 115.64 112.51 1snk s THR 14 Ca -0.14 -0.18 -0.11 0.00 -1.18 0.00 0.00 61.69 60.09 1snk s THR 14 Cb -0.17 -2.99 0.12 0.00 1.34 0.00 0.00 72.50 70.80 1snk s THR 14 CO 0.07 0.00 0.99 -2.65 -0.54 0.00 0.00 174.62 172.49 1snk n PRO 15 N -3.07 -0.39 -2.25 3.99 -0.02 -1.26 -4.94 135.00 127.06 1snk n PRO 15 Ca 0.08 -0.05 -0.42 0.00 -2.02 0.00 0.00 63.50 61.09 1snk n PRO 15 Cb 0.61 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 1snk n PRO 15 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1snk s VAL 16 N -2.55 3.57 0.57 -1.45 1.01 -1.26 -5.03 120.40 115.26 1snk s VAL 16 Ca 0.65 1.10 0.07 0.00 0.00 0.00 0.00 61.98 63.81 1snk s VAL 16 Cb -0.23 -3.71 0.10 0.00 0.00 0.00 0.00 36.38 32.54 1snk s VAL 16 CO 0.60 0.07 0.79 0.29 0.00 0.00 0.00 175.10 176.85 1snk n LYS 17 N 4.16 0.47 -3.75 2.72 4.76 -1.26 -4.55 118.16 120.71 1snk n LYS 17 Ca 0.11 -2.84 -0.23 0.00 -2.87 0.00 0.00 58.31 52.48 1snk n LYS 17 Cb 0.44 -0.31 -0.18 0.00 -1.84 0.00 0.00 35.03 33.14 1snk n LYS 17 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1snk s ASN 18 N -4.47 1.55 0.59 4.39 3.84 -1.26 0.42 114.94 120.00 1snk s ASN 18 Ca 0.58 -0.08 0.31 0.00 0.21 0.00 0.00 52.86 53.88 1snk s ASN 18 Cb -0.04 -0.39 1.82 0.00 -0.55 0.00 0.00 41.25 42.08 1snk s ASN 18 CO 0.37 -0.21 2.24 1.56 -2.79 0.00 0.00 177.10 178.27 1snk h GLN 19 N 8.35 0.00 0.00 0.43 4.20 -1.10 -3.46 115.11 123.52 1snk h GLN 19 Ca -0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.53 1snk h GLN 19 Cb 1.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.90 1snk h GLN 19 CO 0.24 0.02 0.00 0.41 -0.67 0.00 0.00 178.83 178.83 1snk n GLY 20 N -1.19 0.85 1.92 3.46 0.00 -1.26 -3.13 105.19 105.84 1snk n GLY 20 Ca -0.03 -0.80 -0.18 0.00 0.00 0.00 0.00 46.02 45.01 1snk n GLY 20 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1snk n GLN 21 N 7.25 1.86 -3.88 1.61 1.13 -1.26 -4.86 117.38 119.24 1snk n GLN 21 Ca 0.00 -1.68 -0.15 0.00 -1.94 0.00 0.00 57.00 53.23 1snk n GLN 21 Cb 0.00 -1.66 -0.15 0.00 0.11 0.00 0.00 30.24 28.54 1snk n GLN 21 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1snk n GLY 23 N 3.79 3.99 2.05 0.00 0.00 -0.89 -4.57 105.19 109.56 1snk n GLY 23 Ca -0.23 -1.53 -0.19 0.00 0.00 0.00 0.00 46.02 44.08 1snk n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1snk n SER 24 N 2.63 3.78 -0.27 1.61 3.41 -1.26 -3.57 113.62 119.94 1snk n SER 24 Ca 0.61 -3.37 0.11 0.00 -0.26 0.00 0.00 58.87 55.96 1snk n SER 24 Cb 0.50 -0.79 0.36 0.00 -0.26 0.00 0.00 64.21 64.02 1snk n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1snk h TRP 26 N 0.74 0.91 -0.43 0.00 5.08 -1.81 0.22 115.95 120.66 1snk h TRP 26 Ca 0.44 -0.14 -0.05 0.00 1.08 0.00 0.00 58.89 60.22 1snk h TRP 26 Cb 0.65 -0.25 -0.02 0.00 -3.00 0.00 0.00 29.16 26.55 1snk h TRP 26 CO -0.00 0.84 0.06 0.00 -1.28 0.00 0.00 178.44 178.06 1snk h ALA 27 N 1.19 0.57 -0.36 0.11 0.00 -1.54 -0.62 119.26 118.60 1snk h ALA 27 Ca 0.15 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1snk h ALA 27 Cb 0.49 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1snk h ALA 27 CO 0.02 0.30 0.18 0.74 0.00 0.00 0.00 179.25 180.49 1snk h PHE 28 N 0.57 0.52 -0.37 0.00 -1.00 -0.95 -1.11 116.94 114.60 1snk h PHE 28 Ca 0.13 -0.02 0.04 0.00 2.81 0.00 0.00 57.97 60.93 1snk h PHE 28 Cb 0.39 -0.16 -0.04 0.00 3.61 0.00 0.00 35.95 39.75 1snk h PHE 28 CO 0.03 0.43 0.13 1.03 -1.61 0.00 0.00 178.31 178.32 1snk h SER 29 N 0.46 0.14 -0.64 2.17 0.87 -0.40 -0.98 113.55 115.16 1snk h SER 29 Ca 0.13 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.72 1snk h SER 29 Cb 0.10 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.05 1snk h SER 29 CO -0.02 0.12 0.37 0.28 -0.53 0.00 0.00 176.83 177.05 1snk h SER 30 N 0.28 0.78 -0.40 6.23 0.02 -0.87 -2.50 113.55 117.09 1snk h SER 30 Ca 0.17 -0.08 -0.13 0.00 -0.84 0.00 0.00 61.79 60.90 1snk h SER 30 Cb 0.14 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1snk h SER 30 CO -0.17 0.64 -0.27 -0.37 -1.14 0.00 0.00 176.83 175.52 1snk h VAL 31 N 0.87 1.28 -0.70 2.27 -1.51 -0.89 -2.26 116.25 115.30 1snk h VAL 31 Ca 0.23 -1.43 0.09 0.00 -1.23 0.00 0.00 66.70 64.35 1snk h VAL 31 Cb 0.01 1.31 -0.07 0.00 -2.13 0.00 0.00 31.29 30.41 1snk h VAL 31 CO -0.04 0.48 0.35 1.23 -1.23 0.00 0.00 177.57 178.36 1snk h GLY 32 N 0.72 1.04 0.80 5.19 0.00 -1.01 0.64 103.07 110.45 1snk h GLY 32 Ca 0.08 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 1snk h GLY 32 CO 0.07 0.08 -0.01 0.00 0.00 0.00 0.00 176.54 176.68 1snk h ALA 33 N 1.41 -0.03 -0.97 3.60 0.00 -1.33 -2.35 119.26 119.59 1snk h ALA 33 Ca 0.34 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.20 1snk h ALA 33 Cb 0.33 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 1snk h ALA 33 CO -0.25 -0.42 0.63 -0.07 0.00 0.00 0.00 179.25 179.14 1snk h LEU 34 N -0.23 1.01 -1.56 0.00 3.38 -0.75 -0.50 115.31 116.65 1snk h LEU 34 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1snk h LEU 34 Cb 0.22 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1snk h LEU 34 CO 0.01 0.65 -0.22 -0.33 0.09 0.00 0.00 178.44 178.64 1snk h GLU 35 N 1.15 0.00 0.13 1.13 5.08 0.42 -1.44 114.58 121.04 1snk h GLU 35 Ca 0.41 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.76 1snk h GLU 35 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1snk h GLU 35 CO -0.15 0.22 -0.06 0.78 -1.00 0.00 0.00 179.01 178.80 1snk h GLY 36 N 0.67 -0.18 2.00 -3.84 0.00 -0.56 -2.40 103.07 98.76 1snk h GLY 36 Ca -0.00 0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 1snk h GLY 36 CO 0.03 -0.06 -0.02 1.46 0.00 0.00 0.00 176.54 177.94 1snk h GLN 37 N -0.68 0.00 -0.03 4.80 1.08 -1.12 -1.81 115.11 117.34 1snk h GLN 37 Ca -0.02 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.94 1snk h GLN 37 Cb 0.51 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.96 1snk h GLN 37 CO 0.03 0.02 -0.92 1.25 -0.95 0.00 0.00 178.83 178.26 1snk h LEU 38 N 0.00 0.87 -0.32 1.46 5.85 -1.21 -1.84 115.31 120.12 1snk h LEU 38 Ca -0.00 -0.72 -0.07 0.00 0.84 0.00 0.00 57.88 57.93 1snk h LEU 38 Cb 0.07 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 1snk h LEU 38 CO 0.00 1.47 -0.07 0.50 -0.34 0.00 0.00 178.44 180.00 1snk h LYS 39 N 0.35 0.62 -0.67 1.25 1.63 -0.85 0.27 116.57 119.17 1snk h LYS 39 Ca -0.11 -0.23 -0.01 0.00 -0.85 0.00 0.00 60.65 59.45 1snk h LYS 39 Cb 1.58 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 33.14 1snk h LYS 39 CO 0.18 0.79 0.37 -0.22 -3.45 0.00 0.00 179.45 177.13 1snk h LYS 40 N 0.40 0.94 -0.01 1.90 3.64 -1.41 0.11 116.57 122.14 1snk h LYS 40 Ca 0.08 -0.11 -0.11 0.00 -1.27 0.00 0.00 60.65 59.24 1snk h LYS 40 Cb 0.56 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1snk h LYS 40 CO 0.03 0.70 -0.44 -0.22 -2.27 0.00 0.00 179.45 177.26 1snk h LYS 41 N 0.92 0.31 0.00 1.90 3.64 -1.23 -3.41 116.57 118.70 1snk h LYS 41 Ca 0.24 -0.32 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 1snk h LYS 41 Cb 0.03 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1snk h LYS 41 CO -0.04 1.01 -1.54 0.25 -2.27 0.00 0.00 179.45 176.86 1snk n THR 42 N -4.35 0.12 -0.13 1.00 -2.24 0.08 -5.00 114.28 103.76 1snk n THR 42 Ca -0.10 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1snk n THR 42 Cb 0.59 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 1snk n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1snk n GLY 43 N 1.95 0.69 3.76 3.38 0.00 0.36 -5.04 105.19 110.29 1snk n GLY 43 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 1snk n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1snk s LYS 44 N -0.75 4.21 -0.26 1.61 1.02 -1.26 -4.96 119.74 119.34 1snk s LYS 44 Ca 0.00 0.37 -0.01 0.00 0.02 0.00 0.00 55.97 56.34 1snk s LYS 44 Cb 0.00 -3.37 0.03 0.00 -0.52 0.00 0.00 37.83 33.97 1snk s LYS 44 CO 0.00 0.33 -0.05 -1.17 -0.92 0.00 0.00 175.35 173.54 1snk s LEU 45 N 0.10 3.40 0.10 3.17 2.96 -1.26 -3.18 118.68 123.97 1snk s LEU 45 Ca 0.23 -1.01 -0.18 0.00 -0.22 0.00 0.00 54.13 52.96 1snk s LEU 45 Cb -0.15 -1.67 0.04 0.00 0.50 0.00 0.00 46.19 44.91 1snk s LEU 45 CO 0.10 -0.17 0.43 -1.48 -1.32 0.00 0.00 176.35 173.91 1snk s LEU 46 N 1.30 0.29 0.13 -0.68 0.05 -1.26 -5.08 118.68 113.42 1snk s LEU 46 Ca -0.02 -0.17 -0.30 0.00 0.05 0.00 0.00 54.13 53.69 1snk s LEU 46 Cb -0.18 1.89 -0.07 0.00 -2.05 0.00 0.00 46.19 45.79 1snk s LEU 46 CO -0.03 -0.80 1.14 0.20 -0.55 0.00 0.00 176.35 176.31 1snk s ASN 47 N -2.52 7.18 0.40 1.48 0.01 -1.26 -4.86 114.94 115.37 1snk s ASN 47 Ca -0.00 2.06 0.03 0.00 -0.71 0.00 0.00 52.86 54.24 1snk s ASN 47 Cb 0.01 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 39.07 1snk s ASN 47 CO -0.09 -0.33 0.57 -0.76 -1.51 0.00 0.00 177.10 174.98 1snk s LEU 48 N 0.24 3.80 -0.67 0.60 1.43 -1.26 -1.42 118.68 121.40 1snk s LEU 48 Ca 0.53 0.05 -0.25 0.00 -1.03 0.00 0.00 54.13 53.43 1snk s LEU 48 Cb -0.29 -2.95 0.05 0.00 0.03 0.00 0.00 46.19 43.02 1snk s LEU 48 CO 0.33 -0.58 1.11 -0.55 0.23 0.00 0.00 176.35 176.89 1snk s SER 49 N -4.20 6.21 0.29 2.29 0.15 -0.31 -3.70 113.70 114.43 1snk s SER 49 Ca 0.47 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 56.53 1snk s SER 49 Cb -0.10 -2.49 0.45 0.00 -1.71 0.00 0.00 66.02 62.17 1snk s SER 49 CO 0.35 -1.58 1.83 -0.65 1.20 0.00 0.00 173.24 174.39 1snk h PRO 50 N 9.72 0.75 -0.44 5.44 0.11 -1.87 -2.43 132.00 143.28 1snk h PRO 50 Ca -0.28 -0.16 -0.07 0.00 0.11 0.00 0.00 66.00 65.61 1snk h PRO 50 Cb 1.06 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 1snk h PRO 50 CO 1.21 0.70 -0.01 0.37 -0.21 0.00 0.00 178.00 180.06 1snk h GLN 51 N 0.72 0.73 -0.97 1.05 5.75 -1.86 -1.11 115.11 119.41 1snk h GLN 51 Ca 0.16 -0.19 0.07 0.00 -0.15 0.00 0.00 58.65 58.54 1snk h GLN 51 Cb 0.31 -0.09 -0.07 0.00 1.07 0.00 0.00 27.48 28.71 1snk h GLN 51 CO 0.00 0.75 0.63 -0.97 -2.65 0.00 0.00 178.83 176.59 1snk h ASN 52 N 0.68 0.98 0.06 -0.69 -0.00 -1.67 -0.44 115.58 114.50 1snk h ASN 52 Ca 0.13 0.01 -0.24 0.00 -0.00 0.00 0.00 56.30 56.21 1snk h ASN 52 Cb 0.44 -0.20 0.02 0.00 -0.00 0.00 0.00 38.32 38.58 1snk h ASN 52 CO 0.02 0.62 -0.96 -0.07 -0.00 0.00 0.00 177.43 177.04 1snk h LEU 53 N 1.11 0.75 -0.64 0.34 3.38 -1.39 -1.80 115.31 117.06 1snk h LEU 53 Ca 0.42 -0.80 0.04 0.00 0.09 0.00 0.00 57.88 57.63 1snk h LEU 53 Cb 0.21 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1snk h LEU 53 CO -0.17 1.46 0.39 0.58 0.09 0.00 0.00 178.44 180.78 1snk h VAL 54 N 0.13 1.05 0.01 1.22 2.07 -0.82 -0.86 116.25 119.05 1snk h VAL 54 Ca -0.14 -0.26 -0.19 0.00 0.82 0.00 0.00 66.70 66.93 1snk h VAL 54 Cb 1.66 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1snk h VAL 54 CO 0.19 0.14 -0.87 0.44 0.02 0.00 0.00 177.57 177.48 1snk h ASP 55 N 0.75 0.20 0.00 0.57 3.32 -1.15 -3.38 116.42 116.73 1snk h ASP 55 Ca 0.27 -0.17 -0.18 0.00 0.02 0.00 0.00 57.03 56.97 1snk h ASP 55 Cb 0.06 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1snk h ASP 55 CO -0.12 0.98 -1.88 0.00 -1.72 0.00 0.00 179.24 176.50 1snk s VAL 57 N -2.54 3.52 0.42 0.00 1.01 -0.34 -4.75 120.40 117.71 1snk s VAL 57 Ca -0.06 -0.61 0.12 0.00 0.00 0.00 0.00 61.98 61.42 1snk s VAL 57 Cb 0.06 -4.27 0.17 0.00 0.00 0.00 0.00 36.38 32.34 1snk s VAL 57 CO 0.59 -1.03 1.96 0.77 0.00 0.00 0.00 175.10 177.38 1snk h SER 58 N 10.60 0.12 0.06 3.32 4.64 -1.87 -1.49 113.55 128.94 1snk h SER 58 Ca 0.15 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1snk h SER 58 Cb 0.98 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1snk h SER 58 CO 1.23 0.28 0.00 -0.33 -0.87 0.00 0.00 176.83 177.14 1snk h GLU 59 N 0.12 0.00 0.00 4.77 4.39 -1.95 -3.42 114.58 118.49 1snk h GLU 59 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1snk h GLU 59 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1snk h GLU 59 CO 0.02 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 177.96 1snk n ASN 60 N -2.69 0.00 -2.11 1.42 3.02 -0.56 -4.97 115.26 109.37 1snk n ASN 60 Ca -0.02 -0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.15 1snk n ASN 60 Cb 0.07 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.28 1snk n ASN 60 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1snk n ASP 61 N -1.14 1.63 0.00 6.41 2.03 -0.81 -5.04 116.55 119.62 1snk n ASP 61 Ca 0.00 -2.27 0.00 0.00 0.52 0.00 0.00 54.79 53.04 1snk n ASP 61 Cb 0.00 -0.40 0.00 0.00 -0.72 0.00 0.00 41.12 40.00 1snk n ASP 61 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1snk n GLY 62 N -0.22 2.83 0.08 0.27 0.00 -1.25 -0.57 105.19 106.33 1snk n GLY 62 Ca 0.10 0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.21 1snk n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1snk n GLY 64 N -1.38 -1.24 0.00 0.00 0.00 0.26 -2.09 105.19 100.75 1snk n GLY 64 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1snk n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1snk n GLY 65 N 1.45 2.83 1.01 -0.02 0.00 -0.03 -4.97 105.19 105.47 1snk n GLY 65 Ca 0.08 -2.07 -0.00 0.00 0.00 0.00 0.00 46.02 44.02 1snk n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1snk n GLY 66 N -0.94 0.85 3.25 -0.02 0.00 -1.26 -1.93 105.19 105.14 1snk n GLY 66 Ca 0.00 -0.94 -0.26 0.00 0.00 0.00 0.00 46.02 44.82 1snk n GLY 66 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1snk s TYR 67 N -4.01 1.84 0.15 1.61 2.02 -1.26 -4.80 117.35 112.91 1snk s TYR 67 Ca 0.07 -0.37 -0.14 0.00 -0.37 0.00 0.00 57.07 56.25 1snk s TYR 67 Cb -0.00 -1.11 0.04 0.00 -0.40 0.00 0.00 41.96 40.49 1snk s TYR 67 CO 0.01 0.08 1.73 0.52 -1.57 0.00 0.00 175.55 176.32 1snk h MET 68 N 4.94 0.71 -0.42 -0.62 2.86 -1.97 -3.05 114.93 117.38 1snk h MET 68 Ca -0.42 -0.11 0.09 0.00 -2.06 0.00 0.00 59.70 57.19 1snk h MET 68 Cb 1.16 -0.13 -0.09 0.00 0.06 0.00 0.00 31.60 32.60 1snk h MET 68 CO 0.44 0.61 -0.19 1.79 1.06 0.00 0.00 176.91 180.62 1snk h THR 69 N 0.65 0.42 -0.80 2.22 1.35 -1.97 -0.26 112.91 114.54 1snk h THR 69 Ca 0.17 0.00 0.08 0.00 -0.55 0.00 0.00 66.41 66.11 1snk h THR 69 Cb 0.13 0.42 -0.05 0.00 -1.73 0.00 0.00 68.15 66.92 1snk h THR 69 CO -0.02 0.00 0.52 0.78 -0.25 0.00 0.00 175.52 176.55 1snk h ASN 70 N -0.11 0.71 -0.37 5.36 2.35 -1.97 0.22 115.58 121.77 1snk h ASN 70 Ca 0.20 0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.92 1snk h ASN 70 Cb 0.42 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 1snk h ASN 70 CO -0.49 0.44 0.05 0.00 -1.65 0.00 0.00 177.43 175.79 1snk h ALA 71 N 1.58 0.50 -0.59 -0.83 0.00 -1.01 0.64 119.26 119.55 1snk h ALA 71 Ca 0.35 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1snk h ALA 71 Cb 0.33 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1snk h ALA 71 CO -0.13 0.21 0.08 0.74 0.00 0.00 0.00 179.25 180.15 1snk h PHE 72 N 0.46 1.03 -0.70 0.00 0.04 0.33 -1.12 116.94 116.98 1snk h PHE 72 Ca 0.11 -0.13 -0.06 0.00 2.80 0.00 0.00 57.97 60.69 1snk h PHE 72 Cb 0.38 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 38.21 1snk h PHE 72 CO 0.03 0.88 0.22 1.96 -0.60 0.00 0.00 178.31 180.80 1snk h GLN 73 N 0.91 1.07 0.45 1.51 4.20 -0.33 -2.17 115.11 120.75 1snk h GLN 73 Ca 0.18 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1snk h GLN 73 Cb 0.42 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1snk h GLN 73 CO 0.01 0.92 -0.22 -0.92 -0.67 0.00 0.00 178.83 177.95 1snk h TYR 74 N 1.03 -0.56 -0.69 2.96 3.20 -0.25 -0.90 116.97 121.76 1snk h TYR 74 Ca 0.23 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.21 1snk h TYR 74 Cb 0.29 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.70 1snk h TYR 74 CO 0.02 -0.29 0.46 0.28 -1.64 0.00 0.00 178.16 177.00 1snk h VAL 75 N -0.73 0.85 -0.05 1.81 2.07 -1.14 0.37 116.25 119.43 1snk h VAL 75 Ca -0.06 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 1snk h VAL 75 Cb 0.53 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1snk h VAL 75 CO 0.10 0.08 -0.11 -0.61 0.02 0.00 0.00 177.57 177.05 1snk h GLN 76 N 0.44 0.17 -0.34 1.57 4.15 -1.19 0.61 115.11 120.51 1snk h GLN 76 Ca 0.33 -0.11 -0.08 0.00 0.77 0.00 0.00 58.65 59.56 1snk h GLN 76 Cb 0.69 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.38 1snk h GLN 76 CO -0.10 0.71 -0.14 -0.22 -1.93 0.00 0.00 178.83 177.15 1snk h LYS 77 N -0.35 0.60 -0.00 1.69 1.63 -0.39 -2.46 116.57 117.29 1snk h LYS 77 Ca 0.00 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.61 1snk h LYS 77 Cb 0.71 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.28 1snk h LYS 77 CO 0.03 0.72 -0.01 -1.71 -3.45 0.00 0.00 179.45 175.02 1snk n ASN 78 N -4.17 0.01 -2.04 4.20 5.15 0.12 -4.91 115.26 113.62 1snk n ASN 78 Ca 0.01 0.37 -0.15 0.00 -0.60 0.00 0.00 54.58 54.21 1snk n ASN 78 Cb 0.35 -0.45 0.02 0.00 -0.53 0.00 0.00 39.78 39.18 1snk n ASN 78 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1snk n ARG 79 N -1.46 -3.06 0.00 1.20 1.74 -0.89 -4.93 116.66 109.25 1snk n ARG 79 Ca 0.08 0.62 0.00 0.00 -0.77 0.00 0.00 57.85 57.78 1snk n ARG 79 Cb 0.32 -4.86 0.00 0.00 -1.02 0.00 0.00 32.46 26.91 1snk n ARG 79 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1snk n GLY 80 N -1.24 4.20 3.08 -0.13 0.00 0.16 -4.91 105.19 106.34 1snk n GLY 80 Ca -0.09 -1.46 -0.20 0.00 0.00 0.00 0.00 46.02 44.27 1snk n GLY 80 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1snk s ILE 81 N -2.00 0.92 0.90 -0.61 2.07 -0.75 -4.72 121.20 117.01 1snk s ILE 81 Ca 0.00 -0.66 -0.13 0.00 -1.41 0.00 0.00 60.65 58.45 1snk s ILE 81 Cb 0.00 -0.80 0.14 0.00 0.13 0.00 0.00 42.46 41.93 1snk s ILE 81 CO 0.00 0.14 1.20 -1.81 -1.91 0.00 0.00 174.94 172.56 1snk s ASP 82 N -0.59 3.67 0.41 4.50 1.01 -1.26 -0.96 116.67 123.45 1snk s ASP 82 Ca 0.03 0.71 0.03 0.00 0.71 0.00 0.00 52.55 54.03 1snk s ASP 82 Cb -0.06 -1.11 -0.00 0.00 1.01 0.00 0.00 42.92 42.77 1snk s ASP 82 CO 0.00 -2.43 0.60 -0.94 0.21 0.00 0.00 175.17 172.61 1snk s SER 83 N -4.44 5.82 0.24 0.27 1.04 -1.08 -1.16 113.70 114.38 1snk s SER 83 Ca 0.66 0.04 -0.06 0.00 0.48 0.00 0.00 55.95 57.07 1snk s SER 83 Cb -0.10 -1.31 0.31 0.00 0.10 0.00 0.00 66.02 65.01 1snk s SER 83 CO 0.52 -0.64 1.87 -0.08 0.98 0.00 0.00 173.24 175.88 1snk h GLU 84 N 0.57 1.01 -0.72 4.02 4.57 -1.32 -0.97 114.58 121.75 1snk h GLU 84 Ca -0.45 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 57.64 1snk h GLU 84 Cb 1.26 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 29.59 1snk h GLU 84 CO 0.54 0.67 0.35 -0.44 -1.18 0.00 0.00 179.01 178.95 1snk h ASP 85 N 1.04 0.94 1.58 1.04 3.45 -1.92 0.06 116.42 122.61 1snk h ASP 85 Ca 0.37 -0.13 0.00 0.00 0.43 0.00 0.00 57.03 57.69 1snk h ASP 85 Cb 0.09 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 38.62 1snk h ASP 85 CO -0.15 0.81 -0.12 0.00 -1.57 0.00 0.00 179.24 178.21 1snk h ALA 86 N 1.17 0.93 -1.40 3.45 0.00 -1.81 -3.37 119.26 118.22 1snk h ALA 86 Ca 0.25 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.70 1snk h ALA 86 Cb 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 17.60 1snk h ALA 86 CO -0.03 0.00 -0.91 0.98 0.00 0.00 0.00 179.25 179.29 1snk n TYR 87 N -2.58 -1.33 -1.65 0.00 -0.00 -0.40 -4.94 117.16 106.27 1snk n TYR 87 Ca 0.04 -2.98 -0.38 0.00 -0.00 0.00 0.00 57.90 54.58 1snk n TYR 87 Cb 0.47 0.27 0.05 0.00 -0.00 0.00 0.00 39.34 40.13 1snk n TYR 87 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.86 176.51 1snk n PRO 88 N 1.55 1.09 -2.60 2.98 -0.04 -0.01 -4.53 135.00 133.44 1snk n PRO 88 Ca 0.18 0.41 -0.42 0.00 -0.04 0.00 0.00 63.50 63.63 1snk n PRO 88 Cb 0.56 -2.25 -0.03 0.00 -0.04 0.00 0.00 33.50 31.74 1snk n PRO 88 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1snk s TYR 89 N -1.44 3.37 -0.45 0.54 5.04 -1.26 -4.78 117.35 118.37 1snk s TYR 89 Ca 0.75 1.44 0.09 0.00 -2.44 0.00 0.00 57.07 56.91 1snk s TYR 89 Cb -0.43 -3.28 -0.10 0.00 0.35 0.00 0.00 41.96 38.50 1snk s TYR 89 CO 0.48 -0.65 0.40 1.33 -1.34 0.00 0.00 175.55 175.76 1snk n VAL 90 N 4.67 0.00 -0.89 3.14 0.24 -1.26 -5.03 118.33 119.21 1snk n VAL 90 Ca 0.10 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 1snk n VAL 90 Cb 0.48 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.85 1snk n VAL 90 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1snk n GLY 91 N 1.22 0.50 3.33 7.63 0.00 -1.26 -5.02 105.19 111.58 1snk n GLY 91 Ca 0.02 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.41 1snk n GLY 91 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1snk s GLN 92 N -0.99 1.05 -0.05 1.61 -2.07 -1.26 -4.15 119.66 113.80 1snk s GLN 92 Ca 0.00 -0.57 -0.29 0.00 -1.82 0.00 0.00 55.36 52.68 1snk s GLN 92 Cb 0.00 0.47 -0.02 0.00 -1.09 0.00 0.00 33.01 32.36 1snk s GLN 92 CO 0.00 -0.40 0.95 -2.00 -1.32 0.00 0.00 175.29 172.52 1snk s GLU 93 N -3.39 4.49 0.44 9.60 2.12 -1.26 -4.94 118.70 125.76 1snk s GLU 93 Ca 0.00 1.33 0.03 0.00 0.36 0.00 0.00 54.97 56.69 1snk s GLU 93 Cb 0.01 -3.49 -0.01 0.00 0.26 0.00 0.00 34.13 30.90 1snk s GLU 93 CO -0.09 -0.13 0.09 0.39 -0.54 0.00 0.00 175.26 174.98 1snk n GLU 94 N 4.28 0.65 -2.18 4.30 1.02 -1.26 -5.07 120.64 122.38 1snk n GLU 94 Ca 0.06 -3.54 -0.38 0.00 -0.02 0.00 0.00 57.16 53.28 1snk n GLU 94 Cb 0.50 1.54 -0.01 0.00 -0.02 0.00 0.00 31.44 33.46 1snk n GLU 94 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1snk s SER 95 N -3.61 6.24 -0.14 1.62 1.04 -1.26 -4.62 113.70 112.98 1snk s SER 95 Ca 0.13 2.44 -0.29 0.00 0.48 0.00 0.00 55.95 58.71 1snk s SER 95 Cb 0.01 -2.62 -0.05 0.00 0.10 0.00 0.00 66.02 63.46 1snk s SER 95 CO 0.09 -0.88 1.89 0.00 0.98 0.00 0.00 173.24 175.32 1snk s MET 97 N 5.05 3.62 -0.21 0.00 -1.94 -1.26 -5.06 119.30 119.50 1snk s MET 97 Ca 0.84 -0.09 -0.00 0.00 -1.71 0.00 0.00 55.69 54.73 1snk s MET 97 Cb -0.33 -2.83 0.02 0.00 2.01 0.00 0.00 34.83 33.71 1snk s MET 97 CO 0.34 0.44 -0.13 -0.47 -0.01 0.00 0.00 175.02 175.20 1snk s TYR 98 N -1.71 2.94 -0.38 -0.03 6.04 -1.26 -5.07 117.35 117.89 1snk s TYR 98 Ca 0.41 -1.60 -0.08 0.00 0.04 0.00 0.00 57.07 55.84 1snk s TYR 98 Cb -0.12 -1.99 0.05 0.00 -1.04 0.00 0.00 41.96 38.87 1snk s TYR 98 CO 0.25 -0.76 0.19 -0.80 -1.54 0.00 0.00 175.55 172.89 1snk s ASN 99 N 1.31 5.52 0.54 4.32 0.01 -1.26 -4.98 114.94 120.39 1snk s ASN 99 Ca 0.02 -1.29 0.29 0.00 -0.71 0.00 0.00 52.86 51.17 1snk s ASN 99 Cb -0.15 -1.94 1.45 0.00 0.41 0.00 0.00 41.25 41.01 1snk s ASN 99 CO -0.08 -0.43 1.94 -0.65 -1.51 0.00 0.00 177.10 176.37 1snk h PRO 100 N 8.32 0.00 -0.10 -0.60 0.11 -2.00 -0.77 132.00 136.97 1snk h PRO 100 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1snk h PRO 100 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1snk h PRO 100 CO 0.68 0.00 0.00 2.41 -0.21 0.00 0.00 178.00 180.88 1snk n THR 101 N -4.29 0.31 0.25 -1.15 -1.04 -1.26 -4.75 114.28 102.35 1snk n THR 101 Ca 0.14 -0.66 0.15 0.00 -2.04 0.00 0.00 64.05 61.65 1snk n THR 101 Cb 0.79 0.97 0.50 0.00 -1.82 0.00 0.00 70.33 70.78 1snk n THR 101 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1snk h GLY 102 N 1.73 0.00 -5.04 3.41 0.00 -1.50 -3.47 103.07 98.19 1snk h GLY 102 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.71 1snk h GLY 102 CO 0.00 0.00 0.61 1.17 0.00 0.00 0.00 176.54 178.32 1snk n LYS 103 N -3.11 1.76 0.00 4.80 4.81 -1.26 -2.64 118.16 122.51 1snk n LYS 103 Ca 0.02 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 58.09 1snk n LYS 103 Cb 0.39 -2.32 0.00 0.00 0.02 0.00 0.00 35.03 33.12 1snk n LYS 103 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1snk n ALA 104 N 2.68 0.40 -3.57 3.14 0.00 -0.14 -4.83 120.51 118.19 1snk n ALA 104 Ca 0.16 -0.04 -0.07 0.00 0.00 0.00 0.00 53.44 53.49 1snk n ALA 104 Cb 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.69 1snk n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1snk s ALA 105 N -0.10 -1.76 0.17 0.00 0.00 -1.15 -4.98 121.76 113.94 1snk s ALA 105 Ca 0.00 0.72 0.02 0.00 0.00 0.00 0.00 51.96 52.71 1snk s ALA 105 Cb 0.00 0.51 -0.05 0.00 0.00 0.00 0.00 23.12 23.59 1snk s ALA 105 CO 0.00 -0.79 -0.02 0.15 0.00 0.00 0.00 175.76 175.10 1snk s LYS 106 N -3.22 1.10 -0.03 0.00 1.02 -1.26 -1.80 119.74 115.55 1snk s LYS 106 Ca 0.07 -1.52 0.00 0.00 0.02 0.00 0.00 55.97 54.54 1snk s LYS 106 Cb -0.01 -0.35 0.02 0.00 -0.52 0.00 0.00 37.83 36.98 1snk s LYS 106 CO -0.06 -0.09 -0.00 0.00 -0.92 0.00 0.00 175.35 174.28 1snk n ARG 108 N 4.02 1.96 0.00 0.00 1.85 -0.69 -3.82 116.66 119.98 1snk n ARG 108 Ca -0.26 -3.15 0.00 0.00 -1.00 0.00 0.00 57.85 53.44 1snk n ARG 108 Cb 0.51 -1.90 0.00 0.00 -1.05 0.00 0.00 32.46 30.02 1snk n ARG 108 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1snk n GLY 109 N -1.11 0.59 3.60 2.89 0.00 -1.26 -4.82 105.19 105.08 1snk n GLY 109 Ca 0.39 -2.13 -0.04 0.00 0.00 0.00 0.00 46.02 44.24 1snk n GLY 109 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1snk s TYR 110 N -0.80 -0.15 0.12 1.61 -0.85 -1.26 -0.99 117.35 115.03 1snk s TYR 110 Ca 0.00 0.04 0.05 0.00 -0.52 0.00 0.00 57.07 56.65 1snk s TYR 110 Cb 0.00 0.54 -0.04 0.00 0.38 0.00 0.00 41.96 42.84 1snk s TYR 110 CO 0.00 -0.36 -0.13 1.03 -1.52 0.00 0.00 175.55 174.57 1snk s ARG 111 N -2.66 0.99 0.18 -3.49 1.81 -0.81 -4.89 118.95 110.08 1snk s ARG 111 Ca 0.10 -1.23 0.07 0.00 -1.72 0.00 0.00 55.73 52.95 1snk s ARG 111 Cb 0.00 -0.83 -0.04 0.00 -0.45 0.00 0.00 34.95 33.63 1snk s ARG 111 CO -0.05 0.15 0.05 -1.21 -0.68 0.00 0.00 175.30 173.57 1snk s GLU 112 N -2.72 2.58 -0.03 3.54 2.02 -1.26 -2.18 118.70 120.65 1snk s GLU 112 Ca 0.09 -1.06 -0.15 0.00 0.02 0.00 0.00 54.97 53.87 1snk s GLU 112 Cb -0.04 -2.44 -0.05 0.00 0.10 0.00 0.00 34.13 31.69 1snk s GLU 112 CO 0.02 0.45 0.39 0.42 0.02 0.00 0.00 175.26 176.57 1snk s ILE 113 N -1.81 5.09 -0.36 -1.63 1.09 -0.36 -4.97 121.20 118.26 1snk s ILE 113 Ca 0.29 0.80 -0.36 0.00 -1.10 0.00 0.00 60.65 60.28 1snk s ILE 113 Cb -0.09 -3.70 -0.12 0.00 -1.06 0.00 0.00 42.46 37.48 1snk s ILE 113 CO 0.20 0.54 2.17 -2.65 -0.10 0.00 0.00 174.94 175.10 1snk n PRO 114 N 2.13 0.96 -1.11 2.79 -0.02 -1.26 -4.69 135.00 133.80 1snk n PRO 114 Ca -0.13 0.27 -0.43 0.00 -2.02 0.00 0.00 63.50 61.18 1snk n PRO 114 Cb 0.52 -2.34 -0.06 0.00 -0.02 0.00 0.00 33.50 31.61 1snk n PRO 114 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1snk n GLU 115 N 8.01 0.00 -0.96 -0.52 2.13 -1.26 -0.79 120.64 127.24 1snk n GLU 115 Ca 0.42 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.24 1snk n GLU 115 Cb 0.19 -0.98 0.00 0.00 0.27 0.00 0.00 31.44 30.92 1snk n GLU 115 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1snk n GLY 116 N 2.23 0.35 3.38 8.31 0.00 0.10 -4.95 105.19 114.61 1snk n GLY 116 Ca 0.19 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.76 1snk n GLY 116 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1snk s ASN 117 N -2.11 6.19 0.23 1.61 3.84 0.03 -4.90 114.94 119.82 1snk s ASN 117 Ca 0.00 -1.37 0.02 0.00 0.21 0.00 0.00 52.86 51.73 1snk s ASN 117 Cb 0.00 -2.25 0.23 0.00 -0.55 0.00 0.00 41.25 38.67 1snk s ASN 117 CO 0.00 -0.91 1.56 -0.33 -2.79 0.00 0.00 177.10 174.63 1snk h GLU 118 N 8.99 0.33 -0.70 0.43 5.08 -1.90 -2.03 114.58 124.79 1snk h GLU 118 Ca -0.29 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 57.79 1snk h GLU 118 Cb 1.10 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 1snk h GLU 118 CO 1.01 0.81 0.19 -0.22 -1.00 0.00 0.00 179.01 179.80 1snk h LYS 119 N 0.25 1.10 -0.01 2.33 3.64 -1.98 -0.04 116.57 121.86 1snk h LYS 119 Ca -0.00 -0.25 -0.14 0.00 -1.27 0.00 0.00 60.65 58.99 1snk h LYS 119 Cb 1.08 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 1snk h LYS 119 CO 0.09 0.95 -0.65 0.00 -2.27 0.00 0.00 179.45 177.58 1snk h ALA 120 N 1.15 0.90 -0.40 5.00 0.00 -1.91 -2.02 119.26 121.98 1snk h ALA 120 Ca 0.22 -0.59 -0.15 0.00 0.00 0.00 0.00 54.91 54.40 1snk h ALA 120 Cb 0.34 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1snk h ALA 120 CO -0.00 0.80 -0.34 1.25 0.00 0.00 0.00 179.25 180.96 1snk h LEU 121 N 0.04 0.97 -0.34 0.00 5.85 -0.83 -1.82 115.31 119.18 1snk h LEU 121 Ca -0.01 -0.42 -0.03 0.00 0.84 0.00 0.00 57.88 58.26 1snk h LEU 121 Cb 1.16 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 1snk h LEU 121 CO 0.09 1.21 0.08 0.50 -0.34 0.00 0.00 178.44 179.98 1snk h LYS 122 N 0.76 0.54 -0.81 1.25 3.64 -0.83 -1.41 116.57 119.71 1snk h LYS 122 Ca 0.07 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 1snk h LYS 122 Cb 0.92 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.63 1snk h LYS 122 CO 0.09 0.59 0.38 0.00 -2.27 0.00 0.00 179.45 178.24 1snk h ARG 123 N 0.39 1.16 -0.54 1.90 3.08 -1.30 -1.63 114.38 117.45 1snk h ARG 123 Ca 0.11 -0.17 -0.10 0.00 0.07 0.00 0.00 59.98 59.89 1snk h ARG 123 Cb 0.30 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1snk h ARG 123 CO 0.00 0.90 -0.04 0.00 -1.07 0.00 0.00 179.97 179.76 1snk h ALA 124 N 1.26 0.90 -0.38 0.04 0.00 -1.10 -1.75 119.26 118.23 1snk h ALA 124 Ca 0.28 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1snk h ALA 124 Cb 0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1snk h ALA 124 CO -0.03 0.64 -0.33 0.28 0.00 0.00 0.00 179.25 179.81 1snk h VAL 125 N 0.87 1.28 -0.31 0.00 2.07 -0.98 0.03 116.25 119.21 1snk h VAL 125 Ca 0.15 -1.50 -0.12 0.00 0.82 0.00 0.00 66.70 66.05 1snk h VAL 125 Cb 0.57 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1snk h VAL 125 CO 0.03 0.50 -0.29 0.00 0.02 0.00 0.00 177.57 177.83 1snk h ALA 126 N 0.77 0.91 0.00 1.67 0.00 -1.18 -2.66 119.26 118.77 1snk h ALA 126 Ca 0.07 -0.39 -0.22 0.00 0.00 0.00 0.00 54.91 54.37 1snk h ALA 126 Cb 0.92 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1snk h ALA 126 CO 0.08 0.62 -1.77 2.89 0.00 0.00 0.00 179.25 181.08 1snk n ARG 127 N -4.08 0.64 -0.13 0.00 1.85 -0.67 -4.66 116.66 109.61 1snk n ARG 127 Ca -0.01 0.13 -0.28 0.00 -1.00 0.00 0.00 57.85 56.70 1snk n ARG 127 Cb 0.46 -1.70 -0.10 0.00 -1.05 0.00 0.00 32.46 30.07 1snk n ARG 127 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1snk n VAL 128 N -2.81 1.53 0.00 8.89 0.31 -0.01 -5.09 118.33 121.15 1snk n VAL 128 Ca -0.16 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 63.86 1snk n VAL 128 Cb 0.93 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 1snk n VAL 128 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1snk n GLY 129 N 1.29 0.69 3.58 2.92 0.00 -1.00 -4.87 105.19 107.79 1snk n GLY 129 Ca -0.50 -2.08 -0.55 0.00 0.00 0.00 0.00 46.02 42.89 1snk n GLY 129 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1snk n PRO 130 N 0.00 0.76 -5.00 1.61 -0.02 -1.26 -4.44 135.00 126.65 1snk n PRO 130 Ca 0.00 0.27 -0.32 0.00 -2.02 0.00 0.00 63.50 61.43 1snk n PRO 130 Cb 0.00 -1.87 -0.14 0.00 -0.02 0.00 0.00 33.50 31.47 1snk n PRO 130 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1snk s VAL 131 N 0.72 2.77 -0.07 -1.45 1.01 -0.20 -4.66 120.40 118.51 1snk s VAL 131 Ca 0.88 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 1snk s VAL 131 Cb -1.08 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 1snk s VAL 131 CO 0.53 0.58 1.03 -0.44 0.00 0.00 0.00 175.10 176.80 1snk s SER 132 N -0.55 7.24 0.11 3.32 0.01 -0.85 0.30 113.70 123.28 1snk s SER 132 Ca 0.08 1.60 0.05 0.00 1.31 0.00 0.00 55.95 58.99 1snk s SER 132 Cb -0.11 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.52 1snk s SER 132 CO 0.01 -0.43 -0.12 0.68 0.41 0.00 0.00 173.24 173.79 1snk s VAL 133 N 1.81 1.13 0.01 3.43 -7.23 -1.05 -0.96 120.40 117.53 1snk s VAL 133 Ca 0.50 -1.67 0.04 0.00 -1.81 0.00 0.00 61.98 59.04 1snk s VAL 133 Cb -0.20 -1.44 -0.03 0.00 0.56 0.00 0.00 36.38 35.27 1snk s VAL 133 CO 0.21 -0.49 -0.09 0.00 -0.31 0.00 0.00 175.10 174.42 1snk s ALA 134 N -2.28 2.92 0.26 1.32 0.00 -1.20 -1.31 121.76 121.47 1snk s ALA 134 Ca 0.07 -1.06 -0.04 0.00 0.00 0.00 0.00 51.96 50.93 1snk s ALA 134 Cb -0.04 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.02 1snk s ALA 134 CO 0.02 0.60 0.33 0.96 0.00 0.00 0.00 175.76 177.67 1snk s ILE 135 N -0.98 0.00 -0.37 0.00 -4.36 -0.05 -3.93 121.20 111.51 1snk s ILE 135 Ca 0.17 -1.73 -0.15 0.00 -0.26 0.00 0.00 60.65 58.67 1snk s ILE 135 Cb -0.11 -2.44 0.00 0.00 1.25 0.00 0.00 42.46 41.16 1snk s ILE 135 CO 0.07 0.00 0.36 -0.62 0.24 0.00 0.00 174.94 174.99 1snk s ASP 136 N -3.16 6.16 -0.21 4.36 2.15 -0.79 -1.24 116.67 123.93 1snk s ASP 136 Ca 0.32 -0.48 0.12 0.00 0.43 0.00 0.00 52.55 52.95 1snk s ASP 136 Cb 0.03 -2.19 0.42 0.00 -0.30 0.00 0.00 42.92 40.87 1snk s ASP 136 CO 0.15 -0.41 1.26 0.00 -0.17 0.00 0.00 175.17 176.00 1snk n ALA 137 N 5.38 3.53 0.85 3.66 0.00 -1.26 -4.72 120.51 127.95 1snk n ALA 137 Ca -0.09 -3.13 0.13 0.00 0.00 0.00 0.00 53.44 50.34 1snk n ALA 137 Cb 0.48 -0.44 0.36 0.00 0.00 0.00 0.00 19.45 19.85 1snk n ALA 137 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1snk n SER 138 N -1.15 0.44 -4.72 0.00 3.41 -1.26 -4.53 113.62 105.81 1snk n SER 138 Ca 0.21 0.16 -0.41 0.00 -0.26 0.00 0.00 58.87 58.57 1snk n SER 138 Cb 0.76 -0.12 -0.04 0.00 -0.26 0.00 0.00 64.21 64.54 1snk n SER 138 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1snk s LEU 139 N -3.49 4.45 0.57 1.04 1.43 -1.26 -4.91 118.68 116.51 1snk s LEU 139 Ca 0.11 1.81 0.28 0.00 -1.03 0.00 0.00 54.13 55.29 1snk s LEU 139 Cb 0.16 -3.58 1.49 0.00 0.03 0.00 0.00 46.19 44.29 1snk s LEU 139 CO 0.64 -0.17 1.98 0.00 0.23 0.00 0.00 176.35 179.03 1snk h THR 140 N 4.27 0.53 -0.53 5.49 1.03 -1.99 0.29 112.91 122.01 1snk h THR 140 Ca -0.42 0.00 -0.08 0.00 -0.01 0.00 0.00 66.41 65.90 1snk h THR 140 Cb 1.21 0.71 -0.02 0.00 -1.07 0.00 0.00 68.15 68.98 1snk h THR 140 CO 0.74 0.00 0.01 0.77 -0.01 0.00 0.00 175.52 177.03 1snk h SER 141 N 0.00 0.85 0.01 0.00 4.64 -1.95 -1.53 113.55 115.57 1snk h SER 141 Ca 0.21 -0.21 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1snk h SER 141 Cb 0.97 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1snk h SER 141 CO -0.00 0.91 -0.01 0.15 -0.87 0.00 0.00 176.83 177.01 1snk h PHE 142 N 0.82 -0.01 -0.52 4.77 3.04 -0.81 -2.78 116.94 121.45 1snk h PHE 142 Ca 0.16 -0.00 0.13 0.00 3.98 0.00 0.00 57.97 62.24 1snk h PHE 142 Cb 0.47 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.96 1snk h PHE 142 CO 0.03 0.66 0.37 1.96 -2.02 0.00 0.00 178.31 179.30 1snk h GLN 143 N -0.71 0.09 -0.43 1.11 1.08 -1.25 -1.15 115.11 113.85 1snk h GLN 143 Ca -0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1snk h GLN 143 Cb 0.68 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.09 1snk h GLN 143 CO 0.00 0.06 0.00 1.19 -0.95 0.00 0.00 178.83 179.13 1snk n PHE 144 N -4.41 1.30 -1.65 2.96 3.01 -0.58 -4.87 117.46 113.22 1snk n PHE 144 Ca 0.09 -0.74 -0.45 0.00 1.01 0.00 0.00 57.45 57.36 1snk n PHE 144 Cb 0.53 -0.32 -0.02 0.00 -0.01 0.00 0.00 39.48 39.66 1snk n PHE 144 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 1snk n TYR 145 N 0.23 1.95 0.00 1.38 9.36 -0.44 -4.91 117.16 124.73 1snk n TYR 145 Ca 0.23 0.53 0.00 0.00 3.32 0.00 0.00 57.90 61.98 1snk n TYR 145 Cb 0.92 -2.40 0.00 0.00 -0.63 0.00 0.00 39.34 37.23 1snk n TYR 145 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1snk n SER 146 N 1.72 1.74 -3.90 2.98 3.41 -1.26 -3.45 113.62 114.86 1snk n SER 146 Ca 0.10 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.64 1snk n SER 146 Cb 0.32 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.24 1snk n SER 146 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1snk s LYS 147 N -1.72 1.72 0.04 4.33 0.00 -1.26 -4.00 119.74 118.84 1snk s LYS 147 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 55.97 54.89 1snk s LYS 147 Cb 0.00 0.57 0.00 0.00 0.00 0.00 0.00 37.83 38.40 1snk s LYS 147 CO 0.00 -0.77 0.00 0.41 0.00 0.00 0.00 175.35 174.99 1snk n GLY 148 N -0.44 -2.61 3.52 0.59 0.00 -1.26 -4.75 105.19 100.25 1snk n GLY 148 Ca -0.03 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 43.93 1snk n GLY 148 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1snk s VAL 149 N -0.95 4.92 0.02 1.61 1.01 -1.26 -4.27 120.40 121.48 1snk s VAL 149 Ca 0.00 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.78 1snk s VAL 149 Cb 0.00 -4.12 -0.07 0.00 0.00 0.00 0.00 36.38 32.19 1snk s VAL 149 CO 0.00 -0.47 1.53 -0.47 0.00 0.00 0.00 175.10 175.69 1snk s TYR 150 N 2.60 2.58 -0.19 5.22 5.04 0.71 -4.77 117.35 128.55 1snk s TYR 150 Ca 0.20 0.54 -0.08 0.00 -2.44 0.00 0.00 57.07 55.29 1snk s TYR 150 Cb -0.15 -3.82 0.08 0.00 0.35 0.00 0.00 41.96 38.42 1snk s TYR 150 CO 0.17 -3.19 0.43 -0.47 -1.34 0.00 0.00 175.55 171.15 1snk s TYR 151 N 2.67 -0.73 -0.17 4.97 5.04 -1.26 -1.69 117.35 126.17 1snk s TYR 151 Ca 0.69 1.45 -0.05 0.00 -2.44 0.00 0.00 57.07 56.73 1snk s TYR 151 Cb -0.35 0.31 0.06 0.00 0.35 0.00 0.00 41.96 42.33 1snk s TYR 151 CO 0.29 -0.42 0.08 0.34 -1.34 0.00 0.00 175.55 174.50 1snk s ASP 152 N 2.00 2.42 0.56 4.32 3.68 -1.26 -5.03 116.67 123.35 1snk s ASP 152 Ca -0.06 -0.64 0.28 0.00 2.13 0.00 0.00 52.55 54.26 1snk s ASP 152 Cb -0.10 -0.29 1.47 0.00 -1.45 0.00 0.00 42.92 42.55 1snk s ASP 152 CO -0.13 -0.34 1.95 1.05 0.13 0.00 0.00 175.17 177.82 1snk h GLU 153 N 8.40 0.00 0.00 4.34 -0.00 -2.01 0.10 114.58 125.41 1snk h GLU 153 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.21 1snk h GLU 153 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.90 1snk h GLU 153 CO 0.30 0.00 0.00 -1.13 -0.00 0.00 0.00 179.01 178.18 1snk n SER 154 N -4.05 0.00 -4.76 3.06 3.41 -1.26 -4.82 113.62 105.19 1snk n SER 154 Ca 0.10 -1.02 -0.39 0.00 -0.26 0.00 0.00 58.87 57.30 1snk n SER 154 Cb 0.67 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.64 1snk n SER 154 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1snk s ASN 156 N -0.61 5.79 0.57 0.00 3.84 -1.26 -4.70 114.94 118.56 1snk s ASN 156 Ca 0.63 -1.64 0.27 0.00 0.21 0.00 0.00 52.86 52.34 1snk s ASN 156 Cb -0.43 -2.05 1.58 0.00 -0.55 0.00 0.00 41.25 39.80 1snk s ASN 156 CO 0.54 -0.63 2.09 0.28 -2.79 0.00 0.00 177.10 176.58 1snk h SER 157 N 8.52 0.00 -0.90 -4.21 0.02 -1.87 -0.47 113.55 114.64 1snk h SER 157 Ca -0.24 0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.31 1snk h SER 157 Cb 1.09 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.38 1snk h SER 157 CO 0.84 0.00 0.51 0.47 -1.14 0.00 0.00 176.83 177.51 1snk n ASP 158 N -3.96 4.18 -3.19 3.07 10.43 -1.26 -4.30 116.55 121.51 1snk n ASP 158 Ca 0.03 -3.46 -0.23 0.00 2.57 0.00 0.00 54.79 53.69 1snk n ASP 158 Cb 0.35 -0.81 -0.05 0.00 1.84 0.00 0.00 41.12 42.45 1snk n ASP 158 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1snk n ASN 159 N -0.76 1.19 -4.65 -2.24 4.05 -0.18 -5.08 115.26 107.58 1snk n ASN 159 Ca 0.53 -2.97 -0.43 0.00 0.45 0.00 0.00 54.58 52.16 1snk n ASN 159 Cb 1.57 -0.63 -0.02 0.00 1.23 0.00 0.00 39.78 41.93 1snk n ASN 159 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1snk s LEU 160 N -1.96 4.13 0.00 1.20 1.43 -1.26 -3.89 118.68 118.34 1snk s LEU 160 Ca 0.39 1.71 0.00 0.00 -1.03 0.00 0.00 54.13 55.20 1snk s LEU 160 Cb 0.24 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.92 1snk s LEU 160 CO -0.09 -0.89 0.00 -0.46 0.23 0.00 0.00 176.35 175.14 1snk n ASN 161 N 7.04 0.00 -3.87 2.29 0.23 -0.48 -4.96 115.26 115.51 1snk n ASN 161 Ca 0.15 -0.91 -0.12 0.00 -0.53 0.00 0.00 54.58 53.17 1snk n ASN 161 Cb 0.45 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 38.01 1snk n ASN 161 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 1snk s HIS 162 N 0.00 -0.01 -0.14 -2.53 5.04 -0.38 -4.89 115.29 112.39 1snk s HIS 162 Ca 0.00 0.02 -0.03 0.00 -1.54 0.00 0.00 55.06 53.51 1snk s HIS 162 Cb 0.00 -0.00 -0.03 0.00 0.04 0.00 0.00 32.58 32.59 1snk s HIS 162 CO 0.00 -0.02 -0.03 0.00 -2.34 0.00 0.00 174.74 172.35 1snk s ALA 163 N -0.06 3.05 0.00 1.58 0.00 -1.26 -0.87 121.76 124.20 1snk s ALA 163 Ca -0.01 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.13 1snk s ALA 163 Cb -0.01 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.59 1snk s ALA 163 CO -0.00 0.30 0.00 1.33 0.00 0.00 0.00 175.76 177.39 1snk n VAL 164 N 3.20 0.00 -3.94 0.00 0.24 -0.43 -4.60 118.33 112.81 1snk n VAL 164 Ca -0.18 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 61.94 1snk n VAL 164 Cb 0.53 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.73 1snk n VAL 164 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1snk s LEU 165 N 0.00 1.08 -0.48 1.34 2.96 -1.03 -2.54 118.68 120.00 1snk s LEU 165 Ca 0.00 -0.05 -0.19 0.00 -0.22 0.00 0.00 54.13 53.68 1snk s LEU 165 Cb 0.00 -0.28 0.05 0.00 0.50 0.00 0.00 46.19 46.46 1snk s LEU 165 CO 0.00 -0.11 0.59 0.00 -1.32 0.00 0.00 176.35 175.51 1snk s ALA 166 N 1.17 3.39 -2.64 5.97 0.00 0.15 -0.38 121.76 129.42 1snk s ALA 166 Ca -0.08 -1.65 0.25 0.00 0.00 0.00 0.00 51.96 50.48 1snk s ALA 166 Cb -0.13 -3.29 0.61 0.00 0.00 0.00 0.00 23.12 20.31 1snk s ALA 166 CO -0.02 -1.90 1.49 1.33 0.00 0.00 0.00 175.76 176.66 1snk n VAL 167 N 5.60 0.10 -3.66 0.00 0.24 0.26 -1.03 118.33 119.84 1snk n VAL 167 Ca -0.06 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 1snk n VAL 167 Cb 0.46 0.91 0.00 0.00 -1.47 0.00 0.00 33.84 33.73 1snk n VAL 167 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1snk n GLY 168 N 1.28 -0.84 3.53 7.63 0.00 -1.23 -0.86 105.19 114.71 1snk n GLY 168 Ca 0.17 -1.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.12 1snk n GLY 168 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1snk s TYR 169 N -3.00 -0.29 0.00 1.61 -0.85 0.70 -0.35 117.35 115.17 1snk s TYR 169 Ca 0.00 0.17 0.00 0.00 -0.52 0.00 0.00 57.07 56.72 1snk s TYR 169 Cb 0.00 0.54 0.00 0.00 0.38 0.00 0.00 41.96 42.88 1snk s TYR 169 CO 0.00 -0.47 0.00 0.41 -1.52 0.00 0.00 175.55 173.97 1snk n GLY 170 N -0.22 1.05 3.11 5.49 0.00 -0.88 -1.44 105.19 112.31 1snk n GLY 170 Ca -0.07 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 1snk n GLY 170 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1snk s ILE 171 N -0.20 0.03 -0.17 -0.61 2.07 -1.26 0.05 121.20 121.12 1snk s ILE 171 Ca 0.00 -0.27 -0.05 0.00 -1.41 0.00 0.00 60.65 58.92 1snk s ILE 171 Cb 0.00 -0.38 0.07 0.00 0.13 0.00 0.00 42.46 42.28 1snk s ILE 171 CO 0.00 -0.15 0.12 -1.58 -1.91 0.00 0.00 174.94 171.42 1snk s GLN 172 N -0.53 0.08 -1.01 3.50 0.74 0.02 -4.84 119.66 117.62 1snk s GLN 172 Ca -0.06 0.01 -0.03 0.00 0.05 0.00 0.00 55.36 55.32 1snk s GLN 172 Cb -0.04 -1.62 0.00 0.00 1.10 0.00 0.00 33.01 32.45 1snk s GLN 172 CO 0.01 -0.65 0.43 1.63 -0.55 0.00 0.00 175.29 176.17 1snk n LYS 173 N 5.29 -3.41 -0.58 1.67 5.02 -1.26 -2.32 118.16 122.58 1snk n LYS 173 Ca -0.06 0.60 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 1snk n LYS 173 Cb 0.49 -4.81 0.00 0.00 -0.02 0.00 0.00 35.03 30.70 1snk n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1snk n GLY 174 N -1.28 1.17 3.33 0.72 0.00 -1.26 -5.01 105.19 102.86 1snk n GLY 174 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 1snk n GLY 174 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1snk s ASN 175 N -3.11 5.39 0.39 1.61 -0.87 -0.98 -5.07 114.94 112.30 1snk s ASN 175 Ca 0.00 -0.94 -0.27 0.00 -1.57 0.00 0.00 52.86 50.08 1snk s ASN 175 Cb 0.00 -1.92 -0.09 0.00 -0.02 0.00 0.00 41.25 39.21 1snk s ASN 175 CO 0.00 -0.30 1.32 -0.54 -2.57 0.00 0.00 177.10 175.01 1snk s LYS 176 N 1.48 4.07 0.29 -0.60 1.02 -1.26 -0.80 119.74 123.94 1snk s LYS 176 Ca 0.01 2.21 0.00 0.00 0.02 0.00 0.00 55.97 58.21 1snk s LYS 176 Cb -0.19 -2.85 -0.02 0.00 -0.52 0.00 0.00 37.83 34.26 1snk s LYS 176 CO 0.04 -0.43 0.32 -3.38 -0.92 0.00 0.00 175.35 170.98 1snk s HIS 177 N -1.22 1.26 -0.09 3.18 -3.43 0.11 -1.50 115.29 113.59 1snk s HIS 177 Ca 0.55 -1.39 0.03 0.00 -0.80 0.00 0.00 55.06 53.45 1snk s HIS 177 Cb -0.39 -0.40 -0.01 0.00 -1.43 0.00 0.00 32.58 30.35 1snk s HIS 177 CO 0.51 -0.90 -0.18 -1.58 -2.00 0.00 0.00 174.74 170.59 1snk s TRP 178 N -3.58 2.65 -0.35 0.38 0.52 0.13 -2.06 118.94 116.63 1snk s TRP 178 Ca 0.35 -0.65 -0.25 0.00 0.02 0.00 0.00 56.10 55.57 1snk s TRP 178 Cb 0.02 -1.72 0.01 0.00 -1.15 0.00 0.00 33.47 30.64 1snk s TRP 178 CO 0.19 -0.18 0.90 0.42 0.02 0.00 0.00 176.95 178.31 1snk s ILE 179 N 0.02 4.63 -0.16 2.03 1.01 0.52 -1.92 121.20 127.34 1snk s ILE 179 Ca -0.07 1.21 0.00 0.00 0.00 0.00 0.00 60.65 61.79 1snk s ILE 179 Cb -0.15 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 38.03 1snk s ILE 179 CO 0.05 -0.47 -0.16 -0.63 0.00 0.00 0.00 174.94 173.73 1snk s ILE 180 N 3.36 2.58 -0.23 2.92 -1.09 -0.71 -0.57 121.20 127.45 1snk s ILE 180 Ca 0.37 -0.79 -0.14 0.00 -2.23 0.00 0.00 60.65 57.85 1snk s ILE 180 Cb -0.12 -2.09 -0.04 0.00 -1.58 0.00 0.00 42.46 38.62 1snk s ILE 180 CO 0.17 0.51 0.33 -0.75 -1.23 0.00 0.00 174.94 173.97 1snk s LYS 181 N 0.94 4.11 0.48 2.79 2.20 0.49 -1.22 119.74 129.53 1snk s LYS 181 Ca -0.03 0.04 0.07 0.00 -0.36 0.00 0.00 55.97 55.69 1snk s LYS 181 Cb -0.15 -3.56 0.07 0.00 -1.51 0.00 0.00 37.83 32.68 1snk s LYS 181 CO -0.02 -0.07 0.62 -1.71 -0.36 0.00 0.00 175.35 173.81 1snk n ASN 182 N 4.62 1.87 -2.63 1.43 2.85 -0.39 -2.46 115.26 120.55 1snk n ASN 182 Ca -0.10 -2.33 -0.11 0.00 -0.11 0.00 0.00 54.58 51.92 1snk n ASN 182 Cb 0.51 -0.31 0.03 0.00 1.24 0.00 0.00 39.78 41.25 1snk n ASN 182 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1snk n SER 183 N -2.35 2.14 -0.95 1.20 3.41 -1.26 -4.48 113.62 111.33 1snk n SER 183 Ca 0.11 -2.81 -0.00 0.00 -0.26 0.00 0.00 58.87 55.91 1snk n SER 183 Cb 0.51 -0.50 0.20 0.00 -0.26 0.00 0.00 64.21 64.15 1snk n SER 183 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1snk n TRP 184 N -0.24 0.67 0.00 7.33 8.01 -1.18 -0.50 117.44 131.54 1snk n TRP 184 Ca 0.15 -1.57 0.00 0.00 -1.31 0.00 0.00 57.50 54.77 1snk n TRP 184 Cb 0.80 -0.40 0.00 0.00 -2.01 0.00 0.00 31.31 29.70 1snk n TRP 184 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1snk n GLY 185 N -1.12 -1.34 0.00 6.99 0.00 0.17 -4.14 105.19 105.74 1snk n GLY 185 Ca 0.28 -1.59 0.15 0.00 0.00 0.00 0.00 46.02 44.86 1snk n GLY 185 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1snk n GLU 186 N -1.54 0.67 0.05 1.61 2.13 -1.26 -3.32 120.64 118.98 1snk n GLU 186 Ca 0.00 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.94 1snk n GLU 186 Cb 0.00 -1.50 0.04 0.00 0.27 0.00 0.00 31.44 30.25 1snk n GLU 186 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1snk n ASN 187 N -1.16 0.64 -4.83 4.31 3.02 -1.26 -3.06 115.26 112.92 1snk n ASN 187 Ca 0.18 -0.01 -0.33 0.00 -0.03 0.00 0.00 54.58 54.40 1snk n ASN 187 Cb 0.18 0.66 -0.06 0.00 -0.61 0.00 0.00 39.78 39.96 1snk n ASN 187 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1snk s TRP 188 N -3.25 3.36 0.00 3.10 -0.00 -1.21 -4.80 118.94 116.15 1snk s TRP 188 Ca 0.03 1.55 0.00 0.00 -0.00 0.00 0.00 56.10 57.68 1snk s TRP 188 Cb 0.13 -2.83 0.00 0.00 -0.00 0.00 0.00 33.47 30.77 1snk s TRP 188 CO 0.79 -0.22 0.00 0.41 -0.00 0.00 0.00 176.95 177.93 1snk n GLY 189 N -1.02 3.10 3.09 5.86 0.00 -1.22 -0.51 105.19 114.49 1snk n GLY 189 Ca 0.07 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1snk n GLY 189 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1snk n ASN 190 N 3.11 4.51 -2.77 1.61 2.85 -0.51 -4.65 115.26 119.41 1snk n ASN 190 Ca 0.00 -3.16 -0.18 0.00 -0.11 0.00 0.00 54.58 51.13 1snk n ASN 190 Cb 0.00 -1.09 0.06 0.00 1.24 0.00 0.00 39.78 39.99 1snk n ASN 190 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1snk n LYS 191 N 2.18 -5.72 -0.78 1.20 5.02 -1.21 -2.43 118.16 116.43 1snk n LYS 191 Ca 0.23 0.64 0.00 0.00 -2.02 0.00 0.00 58.31 57.16 1snk n LYS 191 Cb 0.37 -5.07 0.00 0.00 -0.02 0.00 0.00 35.03 30.31 1snk n LYS 191 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1snk n GLY 192 N -1.60 0.75 3.63 0.72 0.00 0.33 -4.73 105.19 104.30 1snk n GLY 192 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1snk n GLY 192 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1snk s TYR 193 N -2.81 2.55 -0.26 1.61 2.02 -1.02 -1.26 117.35 118.19 1snk s TYR 193 Ca 0.00 -0.45 -0.15 0.00 -0.37 0.00 0.00 57.07 56.10 1snk s TYR 193 Cb 0.00 -1.51 0.08 0.00 -0.40 0.00 0.00 41.96 40.12 1snk s TYR 193 CO 0.00 0.47 0.64 -1.50 -1.57 0.00 0.00 175.55 173.59 1snk s ILE 194 N -2.53 -0.00 -0.32 2.71 2.07 -0.36 -1.42 121.20 121.35 1snk s ILE 194 Ca 0.35 0.02 -0.18 0.00 -1.41 0.00 0.00 60.65 59.43 1snk s ILE 194 Cb 0.00 -0.93 -0.01 0.00 0.13 0.00 0.00 42.46 41.66 1snk s ILE 194 CO 0.19 0.01 0.52 -0.76 -1.91 0.00 0.00 174.94 172.99 1snk s LEU 195 N 1.53 4.23 -0.06 8.50 1.43 -1.26 -1.74 118.68 131.31 1snk s LEU 195 Ca -0.09 0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 53.17 1snk s LEU 195 Cb -0.06 -2.62 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 1snk s LEU 195 CO -0.18 -0.42 0.05 -0.04 0.23 0.00 0.00 176.35 175.99 1snk s MET 196 N 2.38 3.05 0.02 1.70 -1.94 -0.81 -0.20 119.30 123.50 1snk s MET 196 Ca 0.20 -0.42 -0.38 0.00 -1.71 0.00 0.00 55.69 53.39 1snk s MET 196 Cb -0.15 -2.86 -0.17 0.00 2.01 0.00 0.00 34.83 33.66 1snk s MET 196 CO 0.12 0.69 1.39 0.00 -0.01 0.00 0.00 175.02 177.21 1snk n ALA 197 N 1.73 -1.02 -2.70 3.03 0.00 -0.68 0.18 120.51 121.05 1snk n ALA 197 Ca -0.17 0.50 -0.34 0.00 0.00 0.00 0.00 53.44 53.44 1snk n ALA 197 Cb 0.53 -2.08 -0.12 0.00 0.00 0.00 0.00 19.45 17.79 1snk n ALA 197 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1snk s ARG 198 N 0.95 2.97 -1.18 0.00 3.52 -0.56 -4.56 118.95 120.09 1snk s ARG 198 Ca 0.87 -0.57 -0.02 0.00 -0.13 0.00 0.00 55.73 55.88 1snk s ARG 198 Cb -1.00 -2.64 0.00 0.00 -1.56 0.00 0.00 34.95 29.76 1snk s ARG 198 CO 0.51 0.54 0.27 0.09 -0.81 0.00 0.00 175.30 175.89 1snk n ASN 199 N 2.61 -4.72 -2.68 -2.12 5.03 -1.26 -4.62 115.26 107.50 1snk n ASN 199 Ca -0.18 -0.13 -0.30 0.00 0.87 0.00 0.00 54.58 54.84 1snk n ASN 199 Cb 0.53 -3.69 0.00 0.00 -1.02 0.00 0.00 39.78 35.60 1snk n ASN 199 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1snk n LYS 200 N -2.85 3.38 -3.22 3.52 4.76 -1.26 -4.85 118.16 117.64 1snk n LYS 200 Ca -0.12 -4.43 -0.16 0.00 -2.87 0.00 0.00 58.31 50.74 1snk n LYS 200 Cb 0.61 -2.26 0.05 0.00 -1.84 0.00 0.00 35.03 31.59 1snk n LYS 200 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1snk n ASN 201 N -0.43 -4.90 -3.65 4.39 2.85 -1.26 -3.27 115.26 108.99 1snk n ASN 201 Ca 0.40 -0.36 -0.20 0.00 -0.11 0.00 0.00 54.58 54.31 1snk n ASN 201 Cb 0.53 -3.49 0.04 0.00 1.24 0.00 0.00 39.78 38.11 1snk n ASN 201 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1snk n ASN 202 N -1.47 -1.33 -4.57 1.20 5.15 -1.26 -4.84 115.26 108.12 1snk n ASN 202 Ca 0.01 -0.78 -0.55 0.00 -0.60 0.00 0.00 54.58 52.65 1snk n ASN 202 Cb 0.54 -4.26 -0.07 0.00 -0.53 0.00 0.00 39.78 35.46 1snk n ASN 202 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1snk n ALA 203 N -4.24 -1.77 -1.15 5.20 0.00 -1.20 -0.75 120.51 116.60 1snk n ALA 203 Ca -0.30 0.53 -0.05 0.00 0.00 0.00 0.00 53.44 53.62 1snk n ALA 203 Cb 0.68 -1.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.12 1snk n ALA 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1snk n GLY 205 N 0.36 0.10 0.45 0.00 0.00 0.07 -1.89 105.19 104.28 1snk n GLY 205 Ca -0.05 -0.40 0.27 0.00 0.00 0.00 0.00 46.02 45.84 1snk n GLY 205 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1snk h ILE 206 N 0.00 0.49 -0.37 -0.61 6.09 -1.60 -0.18 117.51 121.33 1snk h ILE 206 Ca -0.28 -0.08 0.00 0.00 -1.37 0.00 0.00 64.86 63.13 1snk h ILE 206 Cb 1.14 0.24 0.00 0.00 0.47 0.00 0.00 36.82 38.67 1snk h ILE 206 CO 0.34 0.04 0.00 0.00 -3.07 0.00 0.00 178.15 175.46 1snk n ALA 207 N -2.59 2.79 0.77 0.18 0.00 -1.26 -4.31 120.51 116.09 1snk n ALA 207 Ca 0.25 -1.79 0.13 0.00 0.00 0.00 0.00 53.44 52.02 1snk n ALA 207 Cb 1.00 -0.69 0.40 0.00 0.00 0.00 0.00 19.45 20.16 1snk n ALA 207 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1snk n ASN 208 N 0.15 0.52 -2.75 0.00 3.02 -0.08 0.02 115.26 116.14 1snk n ASN 208 Ca 0.19 0.35 -0.09 0.00 -0.03 0.00 0.00 54.58 55.00 1snk n ASN 208 Cb 0.76 -0.37 0.09 0.00 -0.61 0.00 0.00 39.78 39.64 1snk n ASN 208 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1snk n LEU 209 N -1.91 -1.89 -4.90 3.41 7.94 -1.26 -4.63 117.00 113.76 1snk n LEU 209 Ca 0.05 -3.71 -0.33 0.00 -1.11 0.00 0.00 56.01 50.91 1snk n LEU 209 Cb 0.39 0.62 -0.05 0.00 0.53 0.00 0.00 43.42 44.92 1snk n LEU 209 CO 0.31 2.02 -0.11 0.00 -1.11 0.00 0.00 177.39 178.50 1snk s ALA 210 N -0.03 3.91 0.07 1.96 0.00 -1.26 -3.23 121.76 123.17 1snk s ALA 210 Ca 0.23 -0.69 -0.26 0.00 0.00 0.00 0.00 51.96 51.24 1snk s ALA 210 Cb 0.33 -1.96 0.07 0.00 0.00 0.00 0.00 23.12 21.57 1snk s ALA 210 CO -0.06 0.72 0.65 -1.54 0.00 0.00 0.00 175.76 175.53 1snk s SER 211 N -1.96 -0.59 0.04 0.00 1.04 -0.14 -1.22 113.70 110.88 1snk s SER 211 Ca 0.29 0.29 0.01 0.00 0.48 0.00 0.00 55.95 57.02 1snk s SER 211 Cb -0.13 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.53 1snk s SER 211 CO 0.19 -0.80 -0.05 0.72 0.98 0.00 0.00 173.24 174.28 1snk s PHE 212 N -2.68 0.50 0.33 5.02 -0.12 -0.92 -2.01 117.98 118.10 1snk s PHE 212 Ca -0.04 -0.64 -0.15 0.00 -0.05 0.00 0.00 56.93 56.05 1snk s PHE 212 Cb -0.01 -0.32 -0.09 0.00 -0.63 0.00 0.00 43.02 41.97 1snk s PHE 212 CO -0.04 -0.18 0.75 -1.25 -0.05 0.00 0.00 175.22 174.45 1snk s PRO 213 N -2.13 4.00 0.04 1.99 0.04 -1.26 -1.93 135.00 135.74 1snk s PRO 213 Ca -0.08 0.67 -0.19 0.00 0.04 0.00 0.00 61.00 61.45 1snk s PRO 213 Cb -0.06 -2.42 -0.06 0.00 0.04 0.00 0.00 34.50 32.01 1snk s PRO 213 CO -0.02 0.14 0.54 0.15 0.04 0.00 0.00 177.00 177.84 1snk s LYS 214 N -3.05 4.18 0.00 4.56 1.02 -0.16 -4.89 119.74 121.39 1snk s LYS 214 Ca 0.54 0.66 0.00 0.00 0.02 0.00 0.00 55.97 57.19 1snk s LYS 214 Cb -0.10 -3.26 0.00 0.00 -0.52 0.00 0.00 37.83 33.94 1snk s LYS 214 CO 0.18 0.57 0.00 -0.12 -0.92 0.00 0.00 175.35 175.07