#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yoc h PHE 0 N 0.00 -0.21 0.01 0.00 3.04 -1.98 0.11 116.94 117.91 1yoc h PHE 0 Ca 0.00 0.03 0.03 0.00 3.98 0.00 0.00 57.97 62.01 1yoc h PHE 0 Cb 0.00 0.13 -0.04 0.00 2.56 0.00 0.00 35.95 38.60 1yoc h PHE 0 CO 0.00 -0.15 -0.23 1.98 -2.02 0.00 0.00 178.31 177.89 1yoc h MET 1 N -0.04 -0.36 -0.32 1.11 4.05 -1.98 0.15 114.93 117.55 1yoc h MET 1 Ca 0.14 0.02 -0.11 0.00 -0.28 0.00 0.00 59.70 59.47 1yoc h MET 1 Cb 0.24 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.11 1yoc h MET 1 CO -0.30 -0.24 -0.25 0.66 0.23 0.00 0.00 176.91 177.01 1yoc h SER 2 N -0.37 0.64 -0.89 1.39 4.64 -1.78 -1.64 113.55 115.55 1yoc h SER 2 Ca 0.06 -0.23 -0.01 0.00 -0.47 0.00 0.00 61.79 61.14 1yoc h SER 2 Cb 0.45 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.32 1yoc h SER 2 CO -0.20 0.88 0.52 1.56 -0.87 0.00 0.00 176.83 178.71 1yoc h GLN 3 N 0.55 1.22 0.10 4.77 4.20 -0.49 0.16 115.11 125.62 1yoc h GLN 3 Ca 0.08 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 1yoc h GLN 3 Cb 0.72 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1yoc h GLN 3 CO 0.06 0.87 -0.05 0.52 -0.67 0.00 0.00 178.83 179.56 1yoc h MET 4 N 1.23 -0.13 -0.57 1.46 2.86 -0.67 0.16 114.93 119.27 1yoc h MET 4 Ca 0.32 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 58.04 1yoc h MET 4 Cb -0.02 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.61 1yoc h MET 4 CO -0.06 0.08 0.26 0.52 1.06 0.00 0.00 176.91 178.77 1yoc h MET 5 N -0.32 0.47 -0.05 1.72 2.86 -0.95 -1.81 114.93 116.84 1yoc h MET 5 Ca -0.01 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1yoc h MET 5 Cb 0.27 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.82 1yoc h MET 5 CO 0.02 0.31 -0.01 1.96 1.06 0.00 0.00 176.91 180.26 1yoc h GLN 6 N 0.48 0.09 -0.66 1.72 4.20 -0.84 0.07 115.11 120.18 1yoc h GLN 6 Ca 0.27 -0.03 0.13 0.00 0.06 0.00 0.00 58.65 59.08 1yoc h GLN 6 Cb 0.26 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 27.94 1yoc h GLN 6 CO -0.23 0.40 0.17 1.98 -0.67 0.00 0.00 178.83 180.48 1yoc h MET 7 N -0.22 0.29 0.00 1.46 4.05 -0.69 -1.96 114.93 117.85 1yoc h MET 7 Ca 0.01 -0.02 -0.10 0.00 -0.28 0.00 0.00 59.70 59.31 1yoc h MET 7 Cb 0.36 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.08 1yoc h MET 7 CO 0.00 0.19 -0.74 1.88 0.23 0.00 0.00 176.91 178.47 1yoc h TYR 8 N 0.30 0.00 -0.78 1.39 -1.99 -1.26 -3.11 116.97 111.52 1yoc h TYR 8 Ca 0.35 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 61.04 1yoc h TYR 8 Cb 0.54 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.24 1yoc h TYR 8 CO -0.24 0.44 0.30 0.37 -0.00 0.00 0.00 178.16 179.03 1yoc h GLN 9 N 0.00 1.17 0.00 4.88 4.15 -0.41 -1.98 115.11 122.91 1yoc h GLN 9 Ca -0.05 -0.22 -0.04 0.00 0.77 0.00 0.00 58.65 59.12 1yoc h GLN 9 Cb 1.38 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.87 1yoc h GLN 9 CO 0.05 0.95 -0.18 1.96 -1.93 0.00 0.00 178.83 179.68 1yoc h GLN 10 N 1.14 0.00 0.18 1.69 1.08 -1.36 -3.24 115.11 114.59 1yoc h GLN 10 Ca 0.26 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 57.14 1yoc h GLN 10 Cb 0.23 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.67 1yoc h GLN 10 CO -0.02 0.18 -1.54 -0.39 -0.95 0.00 0.00 178.83 176.11 1yoc h VAL 11 N 0.00 1.07 0.00 -0.54 -1.51 -1.30 -3.50 116.25 110.47 1yoc h VAL 11 Ca -0.00 -2.52 0.00 0.00 -1.23 0.00 0.00 66.70 62.95 1yoc h VAL 11 Cb 0.40 2.84 0.00 0.00 -2.13 0.00 0.00 31.29 32.40 1yoc h VAL 11 CO 0.02 0.80 0.00 0.61 -1.23 0.00 0.00 177.57 177.77 1yoc n GLY 12 N 1.79 2.66 0.08 5.19 0.00 -1.05 -4.98 105.19 108.88 1yoc n GLY 12 Ca -0.23 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 44.89 1yoc n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yoc h PRO 13 N 0.00 0.16 -0.45 1.61 0.13 -1.85 0.07 132.00 131.65 1yoc h PRO 13 Ca 0.00 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 65.06 1yoc h PRO 13 Cb 0.00 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.08 1yoc h PRO 13 CO 0.00 0.28 0.12 0.00 -0.23 0.00 0.00 178.00 178.17 1yoc h ALA 14 N 0.87 1.36 -0.24 -0.56 0.00 -1.96 0.21 119.26 118.93 1yoc h ALA 14 Ca 0.03 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 1yoc h ALA 14 Cb 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1yoc h ALA 14 CO -0.00 0.46 -0.51 1.96 0.00 0.00 0.00 179.25 181.16 1yoc h GLN 15 N 0.66 0.78 -0.62 0.00 7.50 -1.89 -1.83 115.11 119.69 1yoc h GLN 15 Ca 0.15 -0.51 -0.02 0.00 0.50 0.00 0.00 58.65 58.77 1yoc h GLN 15 Cb 0.24 0.07 -0.03 0.00 0.05 0.00 0.00 27.48 27.81 1yoc h GLN 15 CO -0.00 1.14 0.32 0.35 -1.50 0.00 0.00 178.83 179.14 1yoc h PHE 16 N 0.52 0.87 -0.99 2.96 3.57 -0.45 -0.69 116.94 122.73 1yoc h PHE 16 Ca 0.00 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.48 1yoc h PHE 16 Cb 1.12 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 39.54 1yoc h PHE 16 CO 0.08 0.64 0.65 0.77 -2.23 0.00 0.00 178.31 178.23 1yoc h SER 17 N 0.85 1.14 0.19 0.41 0.02 -0.50 -0.23 113.55 115.43 1yoc h SER 17 Ca 0.22 -0.03 -0.18 0.00 -0.84 0.00 0.00 61.79 60.96 1yoc h SER 17 Cb 0.07 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 62.32 1yoc h SER 17 CO -0.03 0.83 -0.68 0.00 -1.14 0.00 0.00 176.83 175.81 1yoc h ALA 18 N 1.36 0.63 -0.19 3.77 0.00 -0.99 -2.34 119.26 121.50 1yoc h ALA 18 Ca 0.36 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1yoc h ALA 18 Cb -0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1yoc h ALA 18 CO -0.08 0.74 -0.01 1.98 0.00 0.00 0.00 179.25 181.87 1yoc h MET 19 N 0.32 0.34 -0.17 0.00 -1.53 -0.64 -2.59 114.93 110.66 1yoc h MET 19 Ca -0.02 -0.12 -0.08 0.00 -3.44 0.00 0.00 59.70 56.04 1yoc h MET 19 Cb 1.24 -0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 32.25 1yoc h MET 19 CO 0.12 0.56 -0.26 0.97 0.14 0.00 0.00 176.91 178.44 1yoc h ILE 20 N 0.08 1.25 -0.22 1.77 2.10 -1.02 0.14 117.51 121.62 1yoc h ILE 20 Ca 0.05 -1.19 -0.00 0.00 1.08 0.00 0.00 64.86 64.79 1yoc h ILE 20 Cb 0.42 1.42 -0.01 0.00 -1.09 0.00 0.00 36.82 37.56 1yoc h ILE 20 CO 0.01 0.37 0.12 1.23 -1.08 0.00 0.00 178.15 178.80 1yoc h GLY 21 N 1.01 0.31 0.62 8.18 0.00 -1.30 -1.00 103.07 110.87 1yoc h GLY 21 Ca 0.04 -0.12 -0.36 0.00 0.00 0.00 0.00 47.33 46.89 1yoc h GLY 21 CO 0.04 0.12 -1.99 -0.18 0.00 0.00 0.00 176.54 174.53 1yoc n GLN 22 N -4.48 0.75 0.00 4.80 -0.06 -0.63 -3.97 117.38 113.79 1yoc n GLN 22 Ca 0.00 0.26 0.10 0.00 -2.00 0.00 0.00 57.00 55.36 1yoc n GLN 22 Cb 0.09 -1.71 -0.12 0.00 -4.06 0.00 0.00 30.24 24.45 1yoc n GLN 22 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 1yoc n PHE 23 N -3.44 0.00 -2.87 3.69 3.72 0.40 -4.48 117.46 114.48 1yoc n PHE 23 Ca -0.31 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 56.97 1yoc n PHE 23 Cb 1.05 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.62 1yoc n PHE 23 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1yoc n ALA 24 N -1.47 -0.15 -0.35 4.37 0.00 -0.40 -5.05 120.51 117.46 1yoc n ALA 24 Ca 0.04 -2.00 0.00 0.00 0.00 0.00 0.00 53.44 51.48 1yoc n ALA 24 Cb 0.32 -1.14 0.05 0.00 0.00 0.00 0.00 19.45 18.69 1yoc n ALA 24 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1yoc n PRO 25 N 0.97 -0.19 0.30 0.00 -0.02 -1.11 -1.83 135.00 133.12 1yoc n PRO 25 Ca 0.12 1.44 0.17 0.00 -2.02 0.00 0.00 63.50 63.20 1yoc n PRO 25 Cb 0.64 -2.13 0.97 0.00 -0.02 0.00 0.00 33.50 32.96 1yoc n PRO 25 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1yoc h TYR 26 N 0.00 0.00 0.00 6.00 3.20 -1.89 -0.47 116.97 123.81 1yoc h TYR 26 Ca 0.34 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.19 1yoc h TYR 26 Cb 0.58 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.84 1yoc h TYR 26 CO -0.80 0.01 -0.14 0.74 -1.64 0.00 0.00 178.16 176.33 1yoc h PHE 27 N 0.00 0.00 0.00 -3.82 0.04 -1.67 -2.12 116.94 109.36 1yoc h PHE 27 Ca -0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1yoc h PHE 27 Cb 0.03 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.18 1yoc h PHE 27 CO 0.00 0.14 -0.03 0.00 -0.60 0.00 0.00 178.31 177.82 1yoc h ALA 28 N 1.86 1.17 0.00 2.45 0.00 -1.22 -2.00 119.26 121.53 1yoc h ALA 28 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1yoc h ALA 28 Cb 0.32 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1yoc h ALA 28 CO 0.02 0.03 -0.01 0.66 0.00 0.00 0.00 179.25 179.95 1yoc h SER 29 N 0.00 0.00 -0.09 0.00 4.64 -1.51 -1.01 113.55 115.57 1yoc h SER 29 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1yoc h SER 29 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1yoc h SER 29 CO 0.00 0.01 0.00 2.30 -0.87 0.00 0.00 176.83 178.27 1yoc n ILE 30 N -3.36 0.21 -3.78 0.95 -5.35 -0.75 -4.78 119.36 102.50 1yoc n ILE 30 Ca -0.03 -0.60 -0.33 0.00 -0.27 0.00 0.00 62.75 61.52 1yoc n ILE 30 Cb 0.09 1.09 0.03 0.00 -1.74 0.00 0.00 39.64 39.12 1yoc n ILE 30 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1yoc n ALA 31 N 0.65 -2.49 -1.94 -1.28 0.00 -0.39 -4.34 120.51 110.72 1yoc n ALA 31 Ca 0.08 -0.30 -0.29 0.00 0.00 0.00 0.00 53.44 52.94 1yoc n ALA 31 Cb 0.32 -3.55 0.05 0.00 0.00 0.00 0.00 19.45 16.27 1yoc n ALA 31 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1yoc s PRO 32 N -6.29 2.62 0.02 0.00 0.04 -1.26 -4.37 135.00 125.76 1yoc s PRO 32 Ca 0.42 0.20 -0.02 0.00 0.04 0.00 0.00 61.00 61.63 1yoc s PRO 32 Cb -0.16 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 1yoc s PRO 32 CO 0.88 -1.09 0.01 -0.65 0.04 0.00 0.00 177.00 176.20 1yoc s GLN 33 N -5.30 0.40 -0.06 4.56 -1.52 -0.39 -4.77 119.66 112.57 1yoc s GLN 33 Ca 0.58 -0.66 -0.12 0.00 -1.95 0.00 0.00 55.36 53.22 1yoc s GLN 33 Cb -0.11 0.15 -0.05 0.00 -0.22 0.00 0.00 33.01 32.78 1yoc s GLN 33 CO 0.49 -0.08 0.30 -0.06 -0.25 0.00 0.00 175.29 175.69 1yoc s PHE 34 N -1.84 3.64 -0.19 0.91 0.08 -1.26 -0.82 117.98 118.51 1yoc s PHE 34 Ca -0.12 0.78 -0.07 0.00 0.12 0.00 0.00 56.93 57.64 1yoc s PHE 34 Cb -0.07 -2.18 -0.21 0.00 -0.57 0.00 0.00 43.02 39.99 1yoc s PHE 34 CO -0.02 0.61 0.11 0.28 -0.10 0.00 0.00 175.22 176.11 1yoc n VAL 35 N 2.14 1.65 -3.74 -0.44 0.31 0.15 -4.93 118.33 113.47 1yoc n VAL 35 Ca -0.16 -0.53 -0.13 0.00 -0.01 0.00 0.00 64.34 63.51 1yoc n VAL 35 Cb 0.53 -1.70 -0.09 0.00 -0.91 0.00 0.00 33.84 31.67 1yoc n VAL 35 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1yoc s GLU 36 N -2.52 0.60 -0.20 5.55 2.12 -0.92 -4.98 118.70 118.35 1yoc s GLU 36 Ca -0.28 0.13 -0.08 0.00 0.36 0.00 0.00 54.97 55.10 1yoc s GLU 36 Cb 0.08 0.27 0.09 0.00 0.26 0.00 0.00 34.13 34.83 1yoc s GLU 36 CO 0.67 -0.14 0.45 -1.17 -0.54 0.00 0.00 175.26 174.54 1yoc s LEU 37 N -0.68 -0.57 0.22 2.70 2.96 -1.26 -0.65 118.68 121.40 1yoc s LEU 37 Ca -0.08 1.05 -0.23 0.00 -0.22 0.00 0.00 54.13 54.66 1yoc s LEU 37 Cb -0.04 1.49 0.04 0.00 0.50 0.00 0.00 46.19 48.18 1yoc s LEU 37 CO 0.03 -0.22 0.78 0.00 -1.32 0.00 0.00 176.35 175.62 1yoc s ARG 38 N 2.30 1.54 0.25 1.98 1.70 -0.64 -5.03 118.95 121.04 1yoc s ARG 38 Ca -0.04 -0.82 -0.31 0.00 -0.47 0.00 0.00 55.73 54.08 1yoc s ARG 38 Cb -0.11 0.54 -0.13 0.00 -0.57 0.00 0.00 34.95 34.69 1yoc s ARG 38 CO -0.14 -0.70 1.51 -2.30 -1.08 0.00 0.00 175.30 172.60 1yoc n PRO 39 N -0.45 2.32 -0.57 3.89 -0.02 -1.26 -1.70 135.00 137.21 1yoc n PRO 39 Ca -0.06 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1yoc n PRO 39 Cb 0.60 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 1yoc n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1yoc n GLY 40 N 2.43 1.78 3.53 -1.23 0.00 -1.26 -5.00 105.19 105.43 1yoc n GLY 40 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 1yoc n GLY 40 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1yoc s TYR 41 N -3.54 -0.88 -0.00 1.61 5.04 -0.69 -0.23 117.35 118.67 1yoc s TYR 41 Ca 0.00 1.84 -0.01 0.00 -2.44 0.00 0.00 57.07 56.46 1yoc s TYR 41 Cb 0.00 0.46 -0.00 0.00 0.35 0.00 0.00 41.96 42.77 1yoc s TYR 41 CO 0.00 -0.44 0.02 0.00 -1.34 0.00 0.00 175.55 173.78 1yoc s ALA 42 N 1.30 -0.03 -0.03 3.97 0.00 -0.78 -1.61 121.76 124.58 1yoc s ALA 42 Ca -0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.84 1yoc s ALA 42 Cb -0.06 -0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.09 1yoc s ALA 42 CO -0.14 -0.04 0.05 -2.00 0.00 0.00 0.00 175.76 173.63 1yoc s GLU 43 N -0.23 -0.06 0.16 0.00 2.12 0.18 -0.60 118.70 120.27 1yoc s GLU 43 Ca -0.03 0.29 0.08 0.00 0.36 0.00 0.00 54.97 55.67 1yoc s GLU 43 Cb -0.02 -0.38 -0.04 0.00 0.26 0.00 0.00 34.13 33.96 1yoc s GLU 43 CO -0.00 -0.25 -0.17 0.14 -0.54 0.00 0.00 175.26 174.44 1yoc s VAL 44 N 1.62 1.67 0.10 3.70 -7.23 -0.41 0.33 120.40 120.17 1yoc s VAL 44 Ca -0.02 -1.90 0.04 0.00 -1.81 0.00 0.00 61.98 58.30 1yoc s VAL 44 Cb -0.12 -1.78 -0.03 0.00 0.56 0.00 0.00 36.38 35.00 1yoc s VAL 44 CO -0.03 -0.38 -0.11 0.42 -0.31 0.00 0.00 175.10 174.69 1yoc s THR 45 N -2.19 1.03 -0.03 5.32 -4.23 0.00 0.02 115.64 115.57 1yoc s THR 45 Ca 0.15 -1.59 -0.12 0.00 -1.18 0.00 0.00 61.69 58.94 1yoc s THR 45 Cb -0.05 -1.33 0.02 0.00 1.34 0.00 0.00 72.50 72.48 1yoc s THR 45 CO 0.06 -0.48 0.26 0.72 -0.54 0.00 0.00 174.62 174.63 1yoc s PHE 46 N -2.19 -0.15 0.34 3.99 -0.12 -0.50 -1.27 117.98 118.09 1yoc s PHE 46 Ca 0.05 0.26 -0.18 0.00 -0.05 0.00 0.00 56.93 57.00 1yoc s PHE 46 Cb -0.04 0.06 -0.10 0.00 -0.63 0.00 0.00 43.02 42.31 1yoc s PHE 46 CO 0.01 -0.31 0.82 -1.25 -0.05 0.00 0.00 175.22 174.44 1yoc s PRO 47 N -1.03 4.16 0.11 1.99 0.04 -1.26 -1.64 135.00 137.37 1yoc s PRO 47 Ca -0.11 0.89 -0.30 0.00 0.04 0.00 0.00 61.00 61.52 1yoc s PRO 47 Cb -0.05 -2.44 -0.06 0.00 0.04 0.00 0.00 34.50 31.98 1yoc s PRO 47 CO 0.03 0.14 1.14 0.21 0.04 0.00 0.00 177.00 178.56 1yoc s LYS 48 N -2.83 4.51 0.16 4.56 2.20 -1.26 -4.90 119.74 122.18 1yoc s LYS 48 Ca 0.55 1.73 -0.23 0.00 -0.36 0.00 0.00 55.97 57.66 1yoc s LYS 48 Cb -0.11 -3.32 0.06 0.00 -1.51 0.00 0.00 37.83 32.95 1yoc s LYS 48 CO 0.17 -0.10 0.67 -0.98 -0.36 0.00 0.00 175.35 174.75 1yoc s ARG 49 N 0.37 1.32 0.28 4.03 1.70 -1.26 -4.92 118.95 120.47 1yoc s ARG 49 Ca 0.54 -0.55 0.01 0.00 -0.47 0.00 0.00 55.73 55.25 1yoc s ARG 49 Cb -0.29 0.56 0.66 0.00 -0.57 0.00 0.00 34.95 35.31 1yoc s ARG 49 CO 0.32 -0.58 1.66 -0.09 -1.08 0.00 0.00 175.30 175.52 1yoc h ARG 50 N 2.00 0.22 -0.09 3.89 2.43 -2.00 -1.87 114.38 118.97 1yoc h ARG 50 Ca -0.29 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 58.89 1yoc h ARG 50 Cb 1.29 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1yoc h ARG 50 CO 0.34 0.15 0.15 0.93 -1.51 0.00 0.00 179.97 180.03 1yoc h GLU 51 N 0.23 0.00 -0.32 0.20 3.07 -1.97 -2.25 114.58 113.54 1yoc h GLU 51 Ca 0.52 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.38 1yoc h GLU 51 Cb 1.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.93 1yoc h GLU 51 CO -0.62 0.00 0.00 1.33 -1.40 0.00 0.00 179.01 178.32 1yoc n VAL 52 N -3.54 2.24 -2.94 3.13 0.24 -0.70 -5.03 118.33 111.73 1yoc n VAL 52 Ca -0.01 -1.72 -0.25 0.00 -2.04 0.00 0.00 64.34 60.33 1yoc n VAL 52 Cb 0.24 -0.18 0.00 0.00 -1.47 0.00 0.00 33.84 32.43 1yoc n VAL 52 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1yoc s LEU 53 N -2.64 3.69 0.00 1.34 1.43 -0.85 -0.17 118.68 121.49 1yoc s LEU 53 Ca 0.43 0.53 0.01 0.00 -1.03 0.00 0.00 54.13 54.06 1yoc s LEU 53 Cb 0.33 -3.41 0.01 0.00 0.03 0.00 0.00 46.19 43.15 1yoc s LEU 53 CO 0.11 -0.60 0.08 -0.46 0.23 0.00 0.00 176.35 175.70 1yoc n ASN 54 N -2.10 0.72 0.00 2.29 0.23 -0.41 -4.58 115.26 111.40 1yoc n ASN 54 Ca -0.00 -1.21 0.10 0.00 -0.53 0.00 0.00 54.58 52.94 1yoc n ASN 54 Cb 0.57 -0.03 0.51 0.00 -2.08 0.00 0.00 39.78 38.74 1yoc n ASN 54 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1yoc n HIS 55 N -0.92 0.00 -0.83 -2.53 1.44 -1.26 -2.15 115.22 108.97 1yoc n HIS 55 Ca 0.01 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.80 1yoc n HIS 55 Cb 0.08 -0.37 0.28 0.00 0.12 0.00 0.00 29.99 30.09 1yoc n HIS 55 CO 0.00 0.00 0.00 0.44 -2.81 0.00 0.00 176.34 173.97 1yoc n ILE 56 N -1.37 2.13 -1.97 0.61 -5.35 -1.26 -4.97 119.36 107.19 1yoc n ILE 56 Ca 0.08 -1.62 -0.15 0.00 -0.27 0.00 0.00 62.75 60.79 1yoc n ILE 56 Cb 0.20 -0.11 -0.03 0.00 -1.74 0.00 0.00 39.64 37.96 1yoc n ILE 56 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1yoc n GLY 57 N -0.05 0.42 3.79 3.28 0.00 -0.91 -5.02 105.19 106.71 1yoc n GLY 57 Ca 0.21 -0.27 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 1yoc n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1yoc s THR 58 N -2.68 1.85 0.16 2.61 -4.23 -1.26 -4.88 115.64 107.21 1yoc s THR 58 Ca 0.00 -1.70 -0.31 0.00 -1.18 0.00 0.00 61.69 58.50 1yoc s THR 58 Cb 0.00 -2.55 -0.09 0.00 1.34 0.00 0.00 72.50 71.20 1yoc s THR 58 CO 0.00 0.00 1.43 -0.69 -0.54 0.00 0.00 174.62 174.82 1yoc s VAL 59 N -2.71 3.01 0.28 2.29 1.01 0.54 -1.29 120.40 123.53 1yoc s VAL 59 Ca 0.31 0.76 -0.30 0.00 0.00 0.00 0.00 61.98 62.75 1yoc s VAL 59 Cb 0.02 -3.49 -0.10 0.00 0.00 0.00 0.00 36.38 32.81 1yoc s VAL 59 CO 0.18 0.08 1.46 -2.28 0.00 0.00 0.00 175.10 174.53 1yoc s HIS 60 N 0.80 2.93 0.31 5.22 2.46 0.77 -4.59 115.29 123.19 1yoc s HIS 60 Ca 0.64 1.04 0.07 0.00 0.47 0.00 0.00 55.06 57.29 1yoc s HIS 60 Cb -0.39 -3.87 0.82 0.00 -0.13 0.00 0.00 32.58 29.01 1yoc s HIS 60 CO 0.34 -2.77 1.72 0.00 -2.47 0.00 0.00 174.74 171.56 1yoc h ALA 61 N 4.60 1.65 0.00 1.58 0.00 -1.91 -0.08 119.26 125.10 1yoc h ALA 61 Ca -0.47 0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 1yoc h ALA 61 Cb 1.22 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1yoc h ALA 61 CO 0.75 -0.29 -0.43 0.82 0.00 0.00 0.00 179.25 180.10 1yoc h ILE 62 N 0.52 0.79 -0.34 0.00 1.08 -1.96 -1.98 117.51 115.63 1yoc h ILE 62 Ca 0.61 -1.94 -0.10 0.00 -0.39 0.00 0.00 64.86 63.04 1yoc h ILE 62 Cb 1.15 2.26 -0.02 0.00 -3.07 0.00 0.00 36.82 37.15 1yoc h ILE 62 CO -0.49 0.42 -0.20 0.00 -0.69 0.00 0.00 178.15 177.19 1yoc h ALA 63 N 1.57 1.02 -0.54 1.87 0.00 -1.36 -0.16 119.26 121.66 1yoc h ALA 63 Ca -0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 1yoc h ALA 63 Cb 1.23 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1yoc h ALA 63 CO 0.06 0.59 -0.00 -0.07 0.00 0.00 0.00 179.25 179.82 1yoc h LEU 64 N 0.56 0.94 -0.88 0.00 3.38 -1.18 -1.98 115.31 116.16 1yoc h LEU 64 Ca 0.09 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1yoc h LEU 64 Cb 0.66 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 1yoc h LEU 64 CO 0.05 1.02 0.46 0.00 0.09 0.00 0.00 178.44 180.05 1yoc h ASN 66 N 1.25 1.02 -0.72 0.00 -0.00 -0.60 0.55 115.58 117.08 1yoc h ASN 66 Ca 0.31 -0.03 -0.06 0.00 -0.00 0.00 0.00 56.30 56.52 1yoc h ASN 66 Cb 0.07 -0.26 -0.03 0.00 -0.00 0.00 0.00 38.32 38.10 1yoc h ASN 66 CO -0.04 0.74 0.21 0.00 -0.00 0.00 0.00 177.43 178.34 1yoc h ALA 67 N 1.32 1.01 -0.46 1.57 0.00 -0.98 -1.26 119.26 120.46 1yoc h ALA 67 Ca 0.32 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1yoc h ALA 67 Cb -0.13 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 1yoc h ALA 67 CO -0.07 0.66 0.10 0.00 0.00 0.00 0.00 179.25 179.94 1yoc h ALA 68 N 1.15 0.61 -0.85 0.00 0.00 -0.64 -0.88 119.26 118.65 1yoc h ALA 68 Ca 0.23 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1yoc h ALA 68 Cb 0.32 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1yoc h ALA 68 CO -0.01 0.30 0.44 1.49 0.00 0.00 0.00 179.25 181.47 1yoc h GLU 69 N 0.62 1.20 -0.28 0.00 4.57 -0.69 0.10 114.58 120.10 1yoc h GLU 69 Ca 0.14 -0.16 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 1yoc h GLU 69 Cb 0.34 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 1yoc h GLU 69 CO 0.00 0.90 0.05 1.25 -1.18 0.00 0.00 179.01 180.04 1yoc h LEU 70 N 1.19 0.45 -0.14 1.64 5.85 -0.85 -0.26 115.31 123.19 1yoc h LEU 70 Ca 0.29 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1yoc h LEU 70 Cb 0.07 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 1yoc h LEU 70 CO -0.04 0.58 -0.04 0.00 -0.34 0.00 0.00 178.44 178.61 1yoc h ALA 71 N 0.88 0.19 -0.32 1.25 0.00 -0.91 -2.08 119.26 118.26 1yoc h ALA 71 Ca 0.09 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1yoc h ALA 71 Cb 0.32 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1yoc h ALA 71 CO 0.00 -0.06 -0.09 0.00 0.00 0.00 0.00 179.25 179.11 1yoc h ALA 72 N 0.70 0.44 -0.27 0.00 0.00 -0.79 -1.01 119.26 118.33 1yoc h ALA 72 Ca 0.03 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 1yoc h ALA 72 Cb 0.46 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1yoc h ALA 72 CO 0.01 0.29 -0.09 0.78 0.00 0.00 0.00 179.25 180.24 1yoc h GLY 73 N 0.40 0.58 0.97 0.00 0.00 -1.11 -1.13 103.07 102.78 1yoc h GLY 73 Ca 0.08 -0.50 -0.05 0.00 0.00 0.00 0.00 47.33 46.85 1yoc h GLY 73 CO 0.03 0.46 0.07 -0.84 0.00 0.00 0.00 176.54 176.26 1yoc h THR 74 N 0.28 1.25 -0.66 4.70 2.02 -1.37 -1.27 112.91 117.86 1yoc h THR 74 Ca 0.06 -0.91 0.02 0.00 0.77 0.00 0.00 66.41 66.36 1yoc h THR 74 Cb 0.59 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 67.91 1yoc h THR 74 CO 0.03 0.32 0.42 -0.03 0.37 0.00 0.00 175.52 176.63 1yoc h MET 75 N 0.62 0.80 -0.43 6.66 4.05 -1.11 -0.70 114.93 124.81 1yoc h MET 75 Ca 0.14 -0.05 0.03 0.00 -0.28 0.00 0.00 59.70 59.54 1yoc h MET 75 Cb 0.39 -0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 30.98 1yoc h MET 75 CO 0.01 0.53 0.24 1.15 0.23 0.00 0.00 176.91 179.07 1yoc h THR 76 N 0.82 1.02 -0.87 -0.77 2.02 -0.89 -0.32 112.91 113.92 1yoc h THR 76 Ca 0.26 -0.17 0.02 0.00 0.77 0.00 0.00 66.41 67.29 1yoc h THR 76 Cb -0.01 0.49 -0.05 0.00 -1.74 0.00 0.00 68.15 66.84 1yoc h THR 76 CO -0.09 0.09 0.58 -0.78 0.37 0.00 0.00 175.52 175.68 1yoc h ASP 77 N 0.49 0.98 1.69 4.18 3.58 -0.86 -1.99 116.42 124.50 1yoc h ASP 77 Ca 0.18 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.61 1yoc h ASP 77 Cb 0.04 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 40.86 1yoc h ASP 77 CO -0.10 0.69 0.00 0.00 -2.88 0.00 0.00 179.24 176.96 1yoc h ALA 78 N 1.47 1.00 0.00 -0.78 0.00 -0.56 0.28 119.26 120.68 1yoc h ALA 78 Ca 0.33 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.94 1yoc h ALA 78 Cb -0.07 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 1yoc h ALA 78 CO -0.08 0.00 -2.12 0.43 0.00 0.00 0.00 179.25 177.47 1yoc n SER 79 N -2.80 1.22 -4.86 0.00 7.64 -0.18 -4.40 113.62 110.24 1yoc n SER 79 Ca 0.04 -0.02 -0.31 0.00 1.01 0.00 0.00 58.87 59.60 1yoc n SER 79 Cb 0.47 0.71 0.03 0.00 -1.01 0.00 0.00 64.21 64.40 1yoc n SER 79 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1yoc s ILE 80 N -2.40 4.36 0.54 0.44 -4.36 -0.81 -4.82 121.20 114.15 1yoc s ILE 80 Ca -0.11 0.77 -0.22 0.00 -0.26 0.00 0.00 60.65 60.83 1yoc s ILE 80 Cb 0.05 -3.69 -0.05 0.00 1.25 0.00 0.00 42.46 40.02 1yoc s ILE 80 CO 0.64 -1.00 1.30 -2.65 0.24 0.00 0.00 174.94 173.46 1yoc n PRO 81 N -2.90 1.61 0.17 0.37 -0.02 -1.26 -4.88 135.00 128.09 1yoc n PRO 81 Ca 0.07 0.59 0.17 0.00 -2.02 0.00 0.00 63.50 62.31 1yoc n PRO 81 Cb 0.54 -2.50 0.78 0.00 -0.02 0.00 0.00 33.50 32.31 1yoc n PRO 81 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yoc h ALA 82 N 1.38 1.96 -0.00 3.55 0.00 -1.95 0.17 119.26 124.37 1yoc h ALA 82 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1yoc h ALA 82 Cb 1.31 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1yoc h ALA 82 CO 0.57 -0.36 -0.00 0.41 0.00 0.00 0.00 179.25 179.86 1yoc n GLY 83 N -1.46 -0.85 3.85 0.00 0.00 -1.26 -4.85 105.19 100.62 1yoc n GLY 83 Ca 0.03 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 1yoc n GLY 83 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1yoc s HIS 84 N -2.02 3.05 0.17 1.61 4.02 0.05 -2.24 115.29 119.93 1yoc s HIS 84 Ca 0.46 -0.18 0.06 0.00 1.02 0.00 0.00 55.06 56.42 1yoc s HIS 84 Cb 0.22 -1.57 -0.04 0.00 -1.02 0.00 0.00 32.58 30.16 1yoc s HIS 84 CO 0.37 0.38 -0.12 -0.98 1.02 0.00 0.00 174.74 175.40 1yoc s ARG 85 N -3.92 1.15 0.06 1.40 1.70 0.67 -4.80 118.95 115.21 1yoc s ARG 85 Ca 0.36 -1.48 0.02 0.00 -0.47 0.00 0.00 55.73 54.17 1yoc s ARG 85 Cb -0.07 -0.83 -0.03 0.00 -0.57 0.00 0.00 34.95 33.45 1yoc s ARG 85 CO 0.26 0.13 -0.08 1.67 -1.08 0.00 0.00 175.30 176.19 1yoc s TRP 86 N -3.08 0.78 -0.14 5.89 1.48 -1.26 -1.57 118.94 121.03 1yoc s TRP 86 Ca 0.18 -0.58 -0.07 0.00 -1.06 0.00 0.00 56.10 54.57 1yoc s TRP 86 Cb 0.01 -0.46 0.05 0.00 -1.16 0.00 0.00 33.47 31.91 1yoc s TRP 86 CO 0.03 -0.08 0.34 -1.50 -4.06 0.00 0.00 176.95 171.68 1yoc s ILE 87 N -1.84 -0.06 0.25 0.66 1.10 -0.68 -4.97 121.20 115.67 1yoc s ILE 87 Ca -0.04 0.12 -0.30 0.00 -0.51 0.00 0.00 60.65 59.92 1yoc s ILE 87 Cb -0.07 -0.51 -0.09 0.00 0.15 0.00 0.00 42.46 41.93 1yoc s ILE 87 CO -0.00 0.05 1.27 -2.84 -2.11 0.00 0.00 174.94 171.31 1yoc s PRO 88 N 1.41 4.42 0.00 3.50 0.02 -1.26 0.06 135.00 143.15 1yoc s PRO 88 Ca -0.09 2.06 0.00 0.00 0.02 0.00 0.00 61.00 62.99 1yoc s PRO 88 Cb -0.09 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 31.27 1yoc s PRO 88 CO -0.11 -0.15 0.00 0.54 -0.33 0.00 0.00 177.00 176.95 1yoc n ARG 89 N 1.83 1.80 -3.61 5.54 5.12 0.22 -4.87 116.66 122.69 1yoc n ARG 89 Ca 0.03 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.87 1yoc n ARG 89 Cb 0.43 -0.84 -0.02 0.00 -1.16 0.00 0.00 32.46 30.86 1yoc n ARG 89 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1yoc s GLY 90 N -1.61 -0.38 -0.21 -0.13 0.00 -1.15 -5.00 107.32 98.83 1yoc s GLY 90 Ca 0.00 0.31 -0.16 0.00 0.00 0.00 0.00 44.72 44.86 1yoc s GLY 90 CO 0.00 0.10 0.55 -0.29 0.00 0.00 0.00 173.10 173.45 1yoc s MET 91 N -3.60 0.60 -0.07 2.90 1.75 -1.26 -1.06 119.30 118.56 1yoc s MET 91 Ca 0.06 0.86 0.04 0.00 -1.25 0.00 0.00 55.69 55.41 1yoc s MET 91 Cb -0.02 0.20 -0.00 0.00 2.84 0.00 0.00 34.83 37.85 1yoc s MET 91 CO -0.04 -0.11 -0.20 0.99 -0.65 0.00 0.00 175.02 175.01 1yoc s THR 92 N 0.81 1.70 0.13 10.11 2.01 -0.40 -4.98 115.64 125.03 1yoc s THR 92 Ca -0.04 -0.84 0.06 0.00 0.31 0.00 0.00 61.69 61.18 1yoc s THR 92 Cb -0.05 -1.47 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 1yoc s THR 92 CO -0.06 0.48 -0.13 0.68 -0.69 0.00 0.00 174.62 174.90 1yoc s VAL 93 N 0.23 1.32 -0.02 3.82 -7.23 -1.26 -0.86 120.40 116.39 1yoc s VAL 93 Ca -0.11 -1.84 0.02 0.00 -1.81 0.00 0.00 61.98 58.24 1yoc s VAL 93 Cb -0.15 -1.64 0.00 0.00 0.56 0.00 0.00 36.38 35.15 1yoc s VAL 93 CO 0.05 -0.51 -0.09 -1.61 -0.31 0.00 0.00 175.10 172.63 1yoc s GLU 94 N -3.01 0.94 -0.45 4.82 2.02 -0.17 -5.00 118.70 117.85 1yoc s GLU 94 Ca 0.12 -0.31 -0.18 0.00 0.02 0.00 0.00 54.97 54.62 1yoc s GLU 94 Cb -0.03 -0.88 0.03 0.00 0.10 0.00 0.00 34.13 33.36 1yoc s GLU 94 CO 0.03 0.12 0.49 0.71 0.02 0.00 0.00 175.26 176.63 1yoc s TYR 95 N 0.15 3.14 -0.04 1.61 2.02 -1.26 -1.89 117.35 121.09 1yoc s TYR 95 Ca -0.02 -0.43 -0.01 0.00 -0.37 0.00 0.00 57.07 56.24 1yoc s TYR 95 Cb -0.08 -3.10 -0.26 0.00 -0.40 0.00 0.00 41.96 38.12 1yoc s TYR 95 CO 0.00 -0.80 0.70 -0.07 -1.57 0.00 0.00 175.55 173.81 1yoc h LEU 96 N 9.22 0.31 -7.36 -1.29 3.38 -1.47 -3.49 115.31 114.62 1yoc h LEU 96 Ca -0.27 -0.53 -0.00 0.00 0.09 0.00 0.00 57.88 57.17 1yoc h LEU 96 Cb 1.11 -0.10 -0.10 0.00 0.09 0.00 0.00 40.66 41.65 1yoc h LEU 96 CO 0.85 1.46 0.17 0.00 0.09 0.00 0.00 178.44 181.01 1yoc s ALA 97 N -2.60 -1.38 0.44 1.53 0.00 -0.92 -4.98 121.76 113.86 1yoc s ALA 97 Ca -0.11 0.17 -0.24 0.00 0.00 0.00 0.00 51.96 51.77 1yoc s ALA 97 Cb 0.07 0.87 -0.08 0.00 0.00 0.00 0.00 23.12 23.98 1yoc s ALA 97 CO 0.83 -0.83 1.21 0.15 0.00 0.00 0.00 175.76 177.11 1yoc s LYS 98 N -3.81 3.84 -0.48 0.00 -0.14 -1.26 -4.77 119.74 113.12 1yoc s LYS 98 Ca 0.05 1.91 -0.13 0.00 -1.36 0.00 0.00 55.97 56.43 1yoc s LYS 98 Cb -0.02 -2.55 0.10 0.00 -1.68 0.00 0.00 37.83 33.68 1yoc s LYS 98 CO -0.07 -0.52 0.39 0.00 -0.76 0.00 0.00 175.35 174.40 1yoc s ALA 99 N -1.42 3.51 -0.31 5.17 0.00 -1.26 -4.94 121.76 122.50 1yoc s ALA 99 Ca 0.61 -2.34 0.15 0.00 0.00 0.00 0.00 51.96 50.38 1yoc s ALA 99 Cb -0.32 -3.01 0.75 0.00 0.00 0.00 0.00 23.12 20.54 1yoc s ALA 99 CO 0.40 -1.84 1.67 0.25 0.00 0.00 0.00 175.76 176.24 1yoc n THR 100 N 5.11 2.59 -2.99 0.00 -2.24 -1.26 -0.34 114.28 115.15 1yoc n THR 100 Ca -0.12 -1.49 0.00 0.00 -2.27 0.00 0.00 64.05 60.17 1yoc n THR 100 Cb 0.42 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 1yoc n THR 100 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yoc n GLY 101 N 0.42 1.71 3.77 3.38 0.00 -1.26 -5.01 105.19 108.21 1yoc n GLY 101 Ca 0.26 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 1yoc n GLY 101 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1yoc n ASP 102 N -0.41 3.58 -4.78 1.61 8.00 -1.26 -4.41 116.55 118.88 1yoc n ASP 102 Ca 0.00 1.18 -0.34 0.00 0.71 0.00 0.00 54.79 56.34 1yoc n ASP 102 Cb 0.00 -1.61 -0.07 0.00 -0.02 0.00 0.00 41.12 39.41 1yoc n ASP 102 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1yoc s VAL 103 N -1.15 4.78 -0.11 2.53 1.01 -0.65 -4.32 120.40 122.48 1yoc s VAL 103 Ca 0.57 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.31 1yoc s VAL 103 Cb -0.46 -3.12 0.02 0.00 0.00 0.00 0.00 36.38 32.81 1yoc s VAL 103 CO 0.61 0.46 -0.15 -0.60 0.00 0.00 0.00 175.10 175.43 1yoc s ARG 104 N -1.40 2.21 -0.10 2.72 3.52 -0.26 -1.41 118.95 124.24 1yoc s ARG 104 Ca 0.19 -0.55 0.03 0.00 -0.13 0.00 0.00 55.73 55.27 1yoc s ARG 104 Cb -0.12 -1.91 -0.01 0.00 -1.56 0.00 0.00 34.95 31.35 1yoc s ARG 104 CO 0.09 -0.09 -0.18 0.00 -0.81 0.00 0.00 175.30 174.31 1yoc s ALA 105 N 1.08 2.43 -0.11 6.12 0.00 0.10 -0.30 121.76 131.08 1yoc s ALA 105 Ca -0.05 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 50.99 1yoc s ALA 105 Cb -0.15 -0.98 0.00 0.00 0.00 0.00 0.00 23.12 22.00 1yoc s ALA 105 CO -0.03 0.34 -0.22 0.08 0.00 0.00 0.00 175.76 175.93 1yoc s VAL 106 N 0.09 2.19 -0.35 0.00 1.01 0.05 -1.29 120.40 122.09 1yoc s VAL 106 Ca -0.08 -0.96 -0.00 0.00 0.00 0.00 0.00 61.98 60.93 1yoc s VAL 106 Cb -0.15 -1.86 0.09 0.00 0.00 0.00 0.00 36.38 34.46 1yoc s VAL 106 CO 0.05 0.55 0.08 0.00 0.00 0.00 0.00 175.10 175.79 1yoc s ALA 107 N 0.46 2.95 -0.51 5.51 0.00 0.23 -1.42 121.76 128.98 1yoc s ALA 107 Ca -0.15 -2.25 -0.21 0.00 0.00 0.00 0.00 51.96 49.35 1yoc s ALA 107 Cb -0.17 -2.10 0.05 0.00 0.00 0.00 0.00 23.12 20.89 1yoc s ALA 107 CO 0.06 -1.57 0.72 0.34 0.00 0.00 0.00 175.76 175.31 1yoc s ASP 108 N 1.38 6.28 -0.15 0.00 -1.08 -1.23 -1.86 116.67 120.00 1yoc s ASP 108 Ca 0.04 -0.64 0.17 0.00 -0.52 0.00 0.00 52.55 51.60 1yoc s ASP 108 Cb -0.21 -2.34 0.74 0.00 -1.46 0.00 0.00 42.92 39.65 1yoc s ASP 108 CO -0.04 -0.97 1.66 0.61 0.52 0.00 0.00 175.17 176.94 1yoc n GLY 109 N 5.13 2.89 0.30 2.66 0.00 0.69 -4.60 105.19 112.25 1yoc n GLY 109 Ca -0.03 -0.88 0.17 0.00 0.00 0.00 0.00 46.02 45.28 1yoc n GLY 109 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1yoc h SER 110 N 3.94 0.00 -0.02 1.61 4.64 -1.89 -3.05 113.55 118.79 1yoc h SER 110 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1yoc h SER 110 Cb 1.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 1yoc h SER 110 CO 0.30 0.04 -0.46 0.00 -0.87 0.00 0.00 176.83 175.84 1yoc n GLN 111 N -3.37 1.26 -3.01 4.77 1.13 -1.26 -4.96 117.38 111.93 1yoc n GLN 111 Ca -0.02 -0.99 -0.39 0.00 -1.94 0.00 0.00 57.00 53.66 1yoc n GLN 111 Cb 0.17 -1.46 -0.06 0.00 0.11 0.00 0.00 30.24 29.01 1yoc n GLN 111 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1yoc s ILE 112 N -2.42 4.41 -0.80 5.09 1.01 -1.15 -5.01 121.20 122.33 1yoc s ILE 112 Ca 0.18 1.64 -0.21 0.00 0.00 0.00 0.00 60.65 62.25 1yoc s ILE 112 Cb 0.18 -4.10 0.09 0.00 0.01 0.00 0.00 42.46 38.63 1yoc s ILE 112 CO 0.56 0.51 1.08 -0.62 0.00 0.00 0.00 174.94 176.47 1yoc s ASP 113 N -1.17 6.37 0.00 3.58 -1.08 -1.26 -4.86 116.67 118.25 1yoc s ASP 113 Ca 0.35 -1.41 0.17 0.00 -0.52 0.00 0.00 52.55 51.15 1yoc s ASP 113 Cb -0.22 -2.43 0.83 0.00 -1.46 0.00 0.00 42.92 39.63 1yoc s ASP 113 CO 0.25 -1.32 1.51 0.79 0.52 0.00 0.00 175.17 176.92 1yoc n TRP 114 N 7.45 0.00 1.04 -5.34 7.02 -1.26 -2.13 117.44 124.22 1yoc n TRP 114 Ca 0.10 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.70 1yoc n TRP 114 Cb 0.47 -0.34 0.14 0.00 -2.42 0.00 0.00 31.31 29.17 1yoc n TRP 114 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1yoc n GLN 115 N -1.34 0.24 -2.75 -0.99 3.00 -1.26 -4.14 117.38 110.13 1yoc n GLN 115 Ca 0.07 -0.16 -0.35 0.00 -0.01 0.00 0.00 57.00 56.55 1yoc n GLN 115 Cb 0.15 -1.50 -0.06 0.00 0.00 0.00 0.00 30.24 28.83 1yoc n GLN 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1yoc s ALA 116 N -2.88 3.09 0.38 -1.58 0.00 -0.91 -4.96 121.76 114.91 1yoc s ALA 116 Ca 0.13 0.49 0.07 0.00 0.00 0.00 0.00 51.96 52.65 1yoc s ALA 116 Cb 0.17 -3.18 -0.00 0.00 0.00 0.00 0.00 23.12 20.11 1yoc s ALA 116 CO 0.71 0.07 0.50 0.95 0.00 0.00 0.00 175.76 177.99 1yoc s THR 117 N -1.93 3.39 0.00 0.00 -4.23 -1.26 -4.91 115.64 106.71 1yoc s THR 117 Ca 0.58 -1.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.04 1yoc s THR 117 Cb -0.14 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.54 1yoc s THR 117 CO 0.19 -0.07 0.00 0.61 -0.54 0.00 0.00 174.62 174.81 1yoc n GLY 118 N -1.72 -1.14 3.69 3.99 0.00 0.20 -4.91 105.19 105.30 1yoc n GLY 118 Ca 0.04 -2.05 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 1yoc n GLY 118 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1yoc s ASN 119 N -4.00 7.02 -0.09 1.61 0.02 -1.26 -0.11 114.94 118.13 1yoc s ASN 119 Ca 0.00 1.24 0.04 0.00 -1.02 0.00 0.00 52.86 53.11 1yoc s ASN 119 Cb 0.00 -2.45 -0.01 0.00 0.02 0.00 0.00 41.25 38.81 1yoc s ASN 119 CO 0.00 -0.26 -0.22 -0.76 0.02 0.00 0.00 177.10 175.88 1yoc s LEU 120 N 1.44 2.22 -0.38 0.60 1.43 0.06 -4.95 118.68 119.09 1yoc s LEU 120 Ca 0.40 -0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 52.89 1yoc s LEU 120 Cb -0.18 -1.44 0.02 0.00 0.03 0.00 0.00 46.19 44.63 1yoc s LEU 120 CO 0.17 0.19 0.23 -0.69 0.23 0.00 0.00 176.35 176.48 1yoc s VAL 121 N 0.16 4.75 -0.21 -1.59 1.01 -1.26 -0.42 120.40 122.84 1yoc s VAL 121 Ca -0.12 -0.79 -0.17 0.00 0.00 0.00 0.00 61.98 60.90 1yoc s VAL 121 Cb -0.16 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1yoc s VAL 121 CO 0.07 -0.24 0.44 -0.69 0.00 0.00 0.00 175.10 174.68 1yoc s VAL 122 N 1.59 5.16 0.21 2.92 1.01 0.37 -4.88 120.40 126.77 1yoc s VAL 122 Ca 0.03 0.79 -0.12 0.00 0.00 0.00 0.00 61.98 62.67 1yoc s VAL 122 Cb -0.19 -3.77 -0.07 0.00 0.00 0.00 0.00 36.38 32.35 1yoc s VAL 122 CO 0.08 0.21 0.58 -2.16 0.00 0.00 0.00 175.10 173.80 1yoc s PRO 123 N 1.54 3.91 -0.03 2.72 0.04 -1.26 -0.92 135.00 140.99 1yoc s PRO 123 Ca 0.20 0.42 -0.02 0.00 0.04 0.00 0.00 61.00 61.64 1yoc s PRO 123 Cb -0.15 -2.73 0.02 0.00 0.04 0.00 0.00 34.50 31.68 1yoc s PRO 123 CO 0.09 0.36 0.08 0.08 0.04 0.00 0.00 177.00 177.65 1yoc s VAL 124 N -1.71 -0.01 -0.05 -0.36 1.01 -0.21 -3.53 120.40 115.53 1yoc s VAL 124 Ca 0.45 0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.52 1yoc s VAL 124 Cb -0.13 -0.13 -0.00 0.00 0.00 0.00 0.00 36.38 36.12 1yoc s VAL 124 CO 0.20 0.02 -0.17 -0.69 0.00 0.00 0.00 175.10 174.46 1yoc s VAL 125 N 0.33 1.47 -0.02 2.92 1.01 -0.51 -1.15 120.40 124.45 1yoc s VAL 125 Ca -0.02 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1yoc s VAL 125 Cb -0.04 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 1yoc s VAL 125 CO -0.01 0.42 -0.06 0.00 0.00 0.00 0.00 175.10 175.45 1yoc s ALA 126 N 0.16 3.03 0.14 5.51 0.00 0.19 -0.77 121.76 130.02 1yoc s ALA 126 Ca -0.07 -0.97 0.08 0.00 0.00 0.00 0.00 51.96 51.00 1yoc s ALA 126 Cb -0.13 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 1yoc s ALA 126 CO 0.03 0.60 -0.18 0.71 0.00 0.00 0.00 175.76 176.93 1yoc s TYR 127 N -0.94 1.71 -0.07 0.00 2.02 0.59 -0.79 117.35 119.87 1yoc s TYR 127 Ca 0.16 -0.48 0.00 0.00 -0.37 0.00 0.00 57.07 56.38 1yoc s TYR 127 Cb -0.11 -0.88 0.02 0.00 -0.40 0.00 0.00 41.96 40.59 1yoc s TYR 127 CO 0.06 0.26 -0.06 0.08 -1.57 0.00 0.00 175.55 174.32 1yoc s VAL 128 N -1.87 0.71 -1.45 0.71 1.01 -0.40 -1.10 120.40 118.03 1yoc s VAL 128 Ca 0.12 -0.17 -0.05 0.00 0.00 0.00 0.00 61.98 61.87 1yoc s VAL 128 Cb -0.07 -0.74 0.04 0.00 0.00 0.00 0.00 36.38 35.61 1yoc s VAL 128 CO 0.05 0.29 0.66 -0.67 0.00 0.00 0.00 175.10 175.43 1yoc n ASP 129 N 4.41 -1.87 -0.38 3.32 2.03 -1.26 -1.58 116.55 121.23 1yoc n ASP 129 Ca -0.18 -0.91 -0.05 0.00 0.52 0.00 0.00 54.79 54.17 1yoc n ASP 129 Cb 0.51 -3.46 -0.02 0.00 -0.72 0.00 0.00 41.12 37.43 1yoc n ASP 129 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1yoc n ASP 130 N -2.93 -5.56 -4.48 1.67 8.00 -1.26 -4.98 116.55 107.01 1yoc n ASP 130 Ca -0.18 0.12 -0.33 0.00 0.71 0.00 0.00 54.79 55.11 1yoc n ASP 130 Cb 0.62 -3.49 -0.13 0.00 -0.02 0.00 0.00 41.12 38.11 1yoc n ASP 130 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1yoc s LYS 131 N -2.25 2.58 0.12 -1.24 1.02 -0.61 -5.05 119.74 114.31 1yoc s LYS 131 Ca 0.00 -0.68 -0.31 0.00 0.02 0.00 0.00 55.97 55.00 1yoc s LYS 131 Cb 0.00 -2.41 -0.07 0.00 -0.52 0.00 0.00 37.83 34.82 1yoc s LYS 131 CO 0.00 0.60 1.30 -1.25 -0.92 0.00 0.00 175.35 175.08 1yoc s PRO 132 N -0.67 4.38 0.00 -1.68 0.04 -1.26 -1.27 135.00 134.54 1yoc s PRO 132 Ca 0.10 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.10 1yoc s PRO 132 Cb -0.11 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.16 1yoc s PRO 132 CO 0.01 -0.32 0.06 1.33 0.04 0.00 0.00 177.00 178.12 1yoc n VAL 133 N 3.57 0.00 -3.59 -0.36 0.24 0.03 -4.62 118.33 113.60 1yoc n VAL 133 Ca 0.09 -0.35 -0.13 0.00 -2.04 0.00 0.00 64.34 61.91 1yoc n VAL 133 Cb 0.44 1.05 -0.06 0.00 -1.47 0.00 0.00 33.84 33.80 1yoc n VAL 133 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1yoc s PHE 134 N -0.58 -0.58 0.03 6.34 5.36 -1.14 -1.11 117.98 126.30 1yoc s PHE 134 Ca 0.00 1.23 0.02 0.00 -0.96 0.00 0.00 56.93 57.22 1yoc s PHE 134 Cb 0.00 0.37 -0.02 0.00 -0.34 0.00 0.00 43.02 43.03 1yoc s PHE 134 CO 0.00 -0.40 -0.07 1.03 -1.46 0.00 0.00 175.22 174.32 1yoc s ARG 135 N -0.43 0.49 0.05 10.12 0.52 -0.79 -0.64 118.95 128.28 1yoc s ARG 135 Ca -0.03 -0.56 -0.05 0.00 -0.52 0.00 0.00 55.73 54.57 1yoc s ARG 135 Cb -0.03 -0.33 -0.02 0.00 0.52 0.00 0.00 34.95 35.10 1yoc s ARG 135 CO 0.02 0.07 0.09 0.00 0.02 0.00 0.00 175.30 175.50 1yoc s ALA 136 N -0.95 0.04 -0.08 2.13 0.00 -0.30 -1.00 121.76 121.58 1yoc s ALA 136 Ca -0.06 -0.73 -0.01 0.00 0.00 0.00 0.00 51.96 51.16 1yoc s ALA 136 Cb -0.07 0.31 0.03 0.00 0.00 0.00 0.00 23.12 23.39 1yoc s ALA 136 CO 0.00 -0.38 -0.03 -1.21 0.00 0.00 0.00 175.76 174.15 1yoc s GLU 137 N -3.23 0.95 -0.20 0.00 2.02 -0.04 -1.05 118.70 117.14 1yoc s GLU 137 Ca 0.00 -0.03 -0.03 0.00 0.02 0.00 0.00 54.97 54.93 1yoc s GLU 137 Cb 0.03 -1.18 -0.01 0.00 0.10 0.00 0.00 34.13 33.06 1yoc s GLU 137 CO -0.07 -0.28 -0.06 0.42 0.02 0.00 0.00 175.26 175.28 1yoc s ILE 138 N 1.82 3.27 -0.29 -1.63 1.01 -0.10 -1.27 121.20 124.00 1yoc s ILE 138 Ca 0.04 -0.54 -0.20 0.00 0.00 0.00 0.00 60.65 59.96 1yoc s ILE 138 Cb -0.12 -2.47 -0.01 0.00 0.01 0.00 0.00 42.46 39.87 1yoc s ILE 138 CO -0.06 0.45 0.60 -0.89 0.00 0.00 0.00 174.94 175.04 1yoc s THR 139 N 1.24 4.97 -0.19 2.92 2.01 -0.22 -0.48 115.64 125.89 1yoc s THR 139 Ca 0.03 0.85 -0.09 0.00 0.31 0.00 0.00 61.69 62.80 1yoc s THR 139 Cb -0.14 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 1yoc s THR 139 CO -0.02 -0.09 0.09 -0.04 -0.69 0.00 0.00 174.62 173.87 1yoc s MET 140 N 2.53 4.05 -0.27 4.92 -1.94 0.44 -0.61 119.30 128.41 1yoc s MET 140 Ca 0.24 -0.30 -0.16 0.00 -1.71 0.00 0.00 55.69 53.76 1yoc s MET 140 Cb -0.15 -3.31 -0.03 0.00 2.01 0.00 0.00 34.83 33.35 1yoc s MET 140 CO 0.11 0.26 0.44 -0.47 -0.01 0.00 0.00 175.02 175.35 1yoc s TYR 141 N 0.44 3.25 -0.11 -0.03 5.04 0.11 -0.76 117.35 125.28 1yoc s TYR 141 Ca 0.05 0.47 0.00 0.00 -2.44 0.00 0.00 57.07 55.16 1yoc s TYR 141 Cb -0.12 -2.66 -0.02 0.00 0.35 0.00 0.00 41.96 39.50 1yoc s TYR 141 CO -0.00 -0.28 -0.11 0.08 -1.34 0.00 0.00 175.55 173.90 1yoc s VAL 142 N 2.20 3.29 0.01 3.14 1.01 0.85 -1.68 120.40 129.22 1yoc s VAL 142 Ca 0.18 -0.59 -0.00 0.00 0.00 0.00 0.00 61.98 61.56 1yoc s VAL 142 Cb -0.16 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 1yoc s VAL 142 CO 0.10 0.54 -0.01 -0.94 0.00 0.00 0.00 175.10 174.79 1yoc s SER 143 N -0.01 0.18 -0.15 3.32 1.04 -0.61 0.63 113.70 118.10 1yoc s SER 143 Ca -0.02 -0.39 -0.29 0.00 0.48 0.00 0.00 55.95 55.72 1yoc s SER 143 Cb -0.14 0.09 -0.03 0.00 0.10 0.00 0.00 66.02 66.04 1yoc s SER 143 CO 0.04 -0.25 1.46 -1.58 0.98 0.00 0.00 173.24 173.89 1yoc s GLN 144 N -1.19 4.09 0.00 4.02 -0.44 -1.26 -0.24 119.66 124.64 1yoc s GLN 144 Ca -0.13 1.79 0.00 0.00 -2.50 0.00 0.00 55.36 54.52 1yoc s GLN 144 Cb -0.08 -3.90 0.00 0.00 -1.64 0.00 0.00 33.01 27.39 1yoc s GLN 144 CO -0.01 -0.91 0.00 0.00 0.50 0.00 0.00 175.29 174.87