#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otu s VAL 2 N 0.00 2.79 -0.02 -0.39 1.01 -1.26 -4.33 120.40 118.19 2otu s VAL 2 Ca 0.00 0.55 0.03 0.00 0.00 0.00 0.00 61.98 62.55 2otu s VAL 2 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 33.03 2otu s VAL 2 CO 0.00 0.04 -0.09 -1.10 0.00 0.00 0.00 175.10 173.94 2otu s GLN 3 N 1.26 0.97 -0.06 2.72 -0.21 -0.30 -5.00 119.66 119.04 2otu s GLN 3 Ca 0.69 -0.32 0.01 0.00 0.02 0.00 0.00 55.36 55.76 2otu s GLN 3 Cb -0.42 -0.91 0.02 0.00 1.00 0.00 0.00 33.01 32.71 2otu s GLN 3 CO 0.31 0.13 -0.05 -0.51 -2.12 0.00 0.00 175.29 173.05 2otu s LEU 4 N 0.14 1.21 -0.19 2.90 1.43 -1.26 -1.68 118.68 121.22 2otu s LEU 4 Ca -0.02 -0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 52.91 2otu s LEU 4 Cb -0.08 -0.53 0.06 0.00 0.03 0.00 0.00 46.19 45.67 2otu s LEU 4 CO 0.00 -0.08 -0.00 -1.58 0.23 0.00 0.00 176.35 174.92 2otu s GLN 5 N 1.17 1.01 0.45 1.70 2.00 -0.59 -3.52 119.66 121.89 2otu s GLN 5 Ca -0.07 -0.55 -0.09 0.00 -2.00 0.00 0.00 55.36 52.65 2otu s GLN 5 Cb -0.14 -2.16 -0.05 0.00 0.80 0.00 0.00 33.01 31.46 2otu s GLN 5 CO -0.01 -0.58 0.80 -1.21 -0.50 0.00 0.00 175.29 173.79 2otu s GLU 6 N 1.71 3.68 0.21 1.67 8.01 -1.26 -0.89 118.70 131.83 2otu s GLU 6 Ca -0.02 0.40 -0.20 0.00 0.01 0.00 0.00 54.97 55.17 2otu s GLU 6 Cb -0.17 -2.35 0.04 0.00 -4.31 0.00 0.00 34.13 27.33 2otu s GLU 6 CO -0.07 -0.15 0.59 -1.54 0.01 0.00 0.00 175.26 174.10 2otu s SER 7 N -3.60 -0.34 0.00 -0.19 1.04 -0.04 -4.78 113.70 105.79 2otu s SER 7 Ca 0.50 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.55 2otu s SER 7 Cb -0.10 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.64 2otu s SER 7 CO 0.38 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 174.10 2otu n GLY 8 N -0.38 1.42 3.63 7.32 0.00 -1.26 -1.16 105.19 114.75 2otu n GLY 8 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 2otu n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2otu s GLY 9 N -2.12 1.58 0.00 -0.02 0.00 -1.26 -4.79 107.32 100.71 2otu s GLY 9 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.54 2otu s GLY 9 CO 0.00 0.43 0.00 0.61 0.00 0.00 0.00 173.10 174.14 2otu n GLY 10 N -0.44 -1.71 3.67 0.20 0.00 -0.50 -4.94 105.19 101.47 2otu n GLY 10 Ca 0.05 -1.17 -0.40 0.00 0.00 0.00 0.00 46.02 44.50 2otu n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2otu s LEU 11 N 0.00 4.18 0.27 0.99 1.43 -1.26 -1.24 118.68 123.05 2otu s LEU 11 Ca 0.00 0.87 0.02 0.00 -1.03 0.00 0.00 54.13 54.00 2otu s LEU 11 Cb 0.00 -2.89 -0.06 0.00 0.03 0.00 0.00 46.19 43.28 2otu s LEU 11 CO 0.00 -0.22 0.06 0.68 0.23 0.00 0.00 176.35 177.10 2otu s VAL 12 N 1.62 0.85 0.11 -1.59 -7.23 0.99 -4.97 120.40 110.18 2otu s VAL 12 Ca 0.29 -2.01 0.02 0.00 -1.81 0.00 0.00 61.98 58.48 2otu s VAL 12 Cb -0.16 -2.62 -0.04 0.00 0.56 0.00 0.00 36.38 34.13 2otu s VAL 12 CO 0.11 -0.08 0.21 -1.10 -0.31 0.00 0.00 175.10 173.94 2otu s GLN 13 N -3.95 3.31 0.50 4.82 -0.21 -1.26 -0.95 119.66 121.92 2otu s GLN 13 Ca 0.35 -0.58 -0.23 0.00 0.02 0.00 0.00 55.36 54.92 2otu s GLN 13 Cb 0.08 -2.93 -0.06 0.00 1.00 0.00 0.00 33.01 31.09 2otu s GLN 13 CO 0.13 0.56 1.38 -2.14 -2.12 0.00 0.00 175.29 173.10 2otu s PRO 14 N -2.83 3.41 0.00 2.91 0.02 -1.26 -0.66 135.00 136.58 2otu s PRO 14 Ca 0.34 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.66 2otu s PRO 14 Cb -0.12 -2.44 0.00 0.00 0.02 0.00 0.00 34.50 31.96 2otu s PRO 14 CO 0.27 -1.00 0.00 0.41 -0.33 0.00 0.00 177.00 176.35 2otu n GLY 15 N 0.65 2.46 1.04 0.52 0.00 0.11 -4.90 105.19 105.07 2otu n GLY 15 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 2otu n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2otu n GLY 16 N -2.00 -0.97 3.45 -0.02 0.00 0.16 -4.22 105.19 101.59 2otu n GLY 16 Ca 0.00 -1.72 -0.10 0.00 0.00 0.00 0.00 46.02 44.20 2otu n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2otu s SER 17 N -2.28 -0.25 0.09 1.61 1.04 -1.26 -1.75 113.70 110.90 2otu s SER 17 Ca 0.20 -0.45 -0.26 0.00 0.48 0.00 0.00 55.95 55.92 2otu s SER 17 Cb -0.01 0.54 0.08 0.00 0.10 0.00 0.00 66.02 66.74 2otu s SER 17 CO 0.14 -0.99 0.90 -1.48 0.98 0.00 0.00 173.24 172.79 2otu s LEU 18 N -2.86 -0.28 -0.08 2.42 2.34 -0.51 -5.01 118.68 114.69 2otu s LEU 18 Ca 0.08 -0.21 0.03 0.00 0.06 0.00 0.00 54.13 54.09 2otu s LEU 18 Cb -0.00 2.14 0.01 0.00 -0.56 0.00 0.00 46.19 47.77 2otu s LEU 18 CO -0.05 -0.79 -0.18 -0.75 -1.06 0.00 0.00 176.35 173.52 2otu s LYS 19 N -3.25 2.34 0.17 1.48 2.20 -1.26 -0.54 119.74 120.87 2otu s LYS 19 Ca 0.08 -0.63 -0.01 0.00 -0.36 0.00 0.00 55.97 55.06 2otu s LYS 19 Cb -0.01 -1.84 -0.04 0.00 -1.51 0.00 0.00 37.83 34.43 2otu s LYS 19 CO -0.03 0.09 0.35 -0.51 -0.36 0.00 0.00 175.35 174.89 2otu s LEU 20 N 0.53 4.27 0.14 5.43 1.43 0.20 -4.70 118.68 125.98 2otu s LEU 20 Ca -0.16 0.37 0.06 0.00 -1.03 0.00 0.00 54.13 53.37 2otu s LEU 20 Cb -0.17 -3.12 -0.04 0.00 0.03 0.00 0.00 46.19 42.89 2otu s LEU 20 CO 0.06 0.01 -0.14 -0.44 0.23 0.00 0.00 176.35 176.07 2otu s SER 21 N -3.00 2.10 -0.18 2.29 0.01 -0.31 -1.48 113.70 113.13 2otu s SER 21 Ca 0.38 -0.88 -0.04 0.00 1.31 0.00 0.00 55.95 56.71 2otu s SER 21 Cb -0.11 -0.08 0.08 0.00 0.21 0.00 0.00 66.02 66.12 2otu s SER 21 CO 0.28 -0.17 0.17 0.00 0.41 0.00 0.00 173.24 173.93 2otu s ALA 23 N 2.26 3.57 0.04 0.00 0.00 -0.07 -1.22 121.76 126.34 2otu s ALA 23 Ca 0.05 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 51.82 2otu s ALA 23 Cb -0.15 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 2otu s ALA 23 CO -0.10 -0.70 0.10 0.00 0.00 0.00 0.00 175.76 175.06 2otu s ALA 24 N 2.27 3.65 0.13 0.00 0.00 -0.55 -1.53 121.76 125.73 2otu s ALA 24 Ca 0.32 -0.92 -0.24 0.00 0.00 0.00 0.00 51.96 51.11 2otu s ALA 24 Cb -0.16 -1.56 0.07 0.00 0.00 0.00 0.00 23.12 21.47 2otu s ALA 24 CO 0.10 0.74 0.63 -1.54 0.00 0.00 0.00 175.76 175.69 2otu s SER 25 N -2.14 -0.56 0.00 0.00 1.04 -0.68 -4.88 113.70 106.48 2otu s SER 25 Ca 0.27 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.76 2otu s SER 25 Cb -0.12 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.58 2otu s SER 25 CO 0.20 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 174.11 2otu n GLY 26 N -0.27 0.81 3.58 7.32 0.00 -1.26 -1.15 105.19 114.23 2otu n GLY 26 Ca -0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 2otu n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2otu s PHE 27 N -2.94 0.05 -0.89 1.61 -0.12 -1.26 -4.34 117.98 110.08 2otu s PHE 27 Ca 0.00 -0.42 -0.23 0.00 -0.05 0.00 0.00 56.93 56.23 2otu s PHE 27 Cb 0.00 0.35 0.06 0.00 -0.63 0.00 0.00 43.02 42.80 2otu s PHE 27 CO 0.00 -0.98 1.29 0.99 -0.05 0.00 0.00 175.22 176.48 2otu s THR 28 N -3.93 4.06 0.22 -4.49 2.01 -1.26 -4.89 115.64 107.36 2otu s THR 28 Ca 0.14 -0.56 -0.12 0.00 0.31 0.00 0.00 61.69 61.46 2otu s THR 28 Cb -0.01 -4.93 0.25 0.00 0.01 0.00 0.00 72.50 67.82 2otu s THR 28 CO 0.02 -1.79 1.63 0.15 -0.69 0.00 0.00 174.62 173.94 2otu h PHE 29 N 9.66 -0.27 0.00 4.92 3.57 -1.96 -1.05 116.94 131.81 2otu h PHE 29 Ca 0.02 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2otu h PHE 29 Cb 1.03 0.23 0.00 0.00 2.79 0.00 0.00 35.95 40.00 2otu h PHE 29 CO 1.19 -0.27 0.00 2.89 -2.23 0.00 0.00 178.31 179.89 2otu n ARG 30 N -5.42 0.03 0.00 1.11 1.85 -1.26 -2.37 116.66 110.60 2otu n ARG 30 Ca 0.09 0.34 0.12 0.00 -1.00 0.00 0.00 57.85 57.40 2otu n ARG 30 Cb 0.37 -1.50 0.18 0.00 -1.05 0.00 0.00 32.46 30.46 2otu n ARG 30 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2otu n ASP 31 N -1.42 1.05 -4.33 2.89 8.00 -0.40 -4.44 116.55 117.91 2otu n ASP 31 Ca 0.02 -0.83 -0.25 0.00 0.71 0.00 0.00 54.79 54.44 2otu n ASP 31 Cb 0.06 0.39 -0.12 0.00 -0.02 0.00 0.00 41.12 41.42 2otu n ASP 31 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2otu s TYR 32 N -2.73 1.94 0.39 1.24 1.51 -1.00 -4.89 117.35 113.81 2otu s TYR 32 Ca 0.16 -0.42 -0.25 0.00 -1.01 0.00 0.00 57.07 55.56 2otu s TYR 32 Cb 0.18 -1.03 -0.09 0.00 -0.11 0.00 0.00 41.96 40.91 2otu s TYR 32 CO 0.65 0.28 1.14 0.71 -1.11 0.00 0.00 175.55 177.21 2otu s TYR 33 N -1.36 3.15 0.17 2.71 2.02 -1.26 -3.77 117.35 119.00 2otu s TYR 33 Ca 0.11 1.59 0.08 0.00 -0.37 0.00 0.00 57.07 58.48 2otu s TYR 33 Cb -0.09 -3.32 -0.04 0.00 -0.40 0.00 0.00 41.96 38.11 2otu s TYR 33 CO 0.05 -1.10 -0.17 -1.64 -1.57 0.00 0.00 175.55 171.12 2otu s MET 34 N -2.29 1.27 0.14 -0.62 -1.94 -0.53 -3.74 119.30 111.59 2otu s MET 34 Ca 0.56 -1.43 -0.05 0.00 -1.71 0.00 0.00 55.69 53.06 2otu s MET 34 Cb -0.29 -1.27 -0.02 0.00 2.01 0.00 0.00 34.83 35.26 2otu s MET 34 CO 0.36 0.25 0.17 0.71 -0.01 0.00 0.00 175.02 176.50 2otu s TYR 35 N -2.20 0.58 -0.05 -0.03 2.02 -0.48 -1.39 117.35 115.81 2otu s TYR 35 Ca 0.16 -0.96 0.04 0.00 -0.37 0.00 0.00 57.07 55.95 2otu s TYR 35 Cb -0.05 -0.25 -0.00 0.00 -0.40 0.00 0.00 41.96 41.26 2otu s TYR 35 CO 0.06 -0.61 -0.18 -1.58 -1.57 0.00 0.00 175.55 171.68 2otu s TRP 36 N -3.99 1.80 -0.01 2.71 0.52 -0.69 -1.19 118.94 118.08 2otu s TRP 36 Ca 0.19 -0.54 0.01 0.00 0.02 0.00 0.00 56.10 55.78 2otu s TRP 36 Cb 0.05 -1.21 -0.00 0.00 -1.15 0.00 0.00 33.47 31.16 2otu s TRP 36 CO -0.01 -0.19 -0.05 0.08 0.02 0.00 0.00 176.95 176.81 2otu s VAL 37 N 0.09 0.38 0.26 4.03 1.01 0.18 -1.37 120.40 124.97 2otu s VAL 37 Ca -0.05 -0.19 0.12 0.00 0.00 0.00 0.00 61.98 61.86 2otu s VAL 37 Cb -0.12 -0.34 -0.05 0.00 0.00 0.00 0.00 36.38 35.87 2otu s VAL 37 CO 0.03 0.12 -0.19 0.00 0.00 0.00 0.00 175.10 175.05 2otu s ARG 38 N 0.01 1.70 -0.14 2.72 1.70 -0.19 -0.10 118.95 124.65 2otu s ARG 38 Ca 0.00 -1.68 -0.00 0.00 -0.47 0.00 0.00 55.73 53.59 2otu s ARG 38 Cb -0.03 -1.83 0.03 0.00 -0.57 0.00 0.00 34.95 32.55 2otu s ARG 38 CO -0.00 0.35 -0.11 -1.14 -1.08 0.00 0.00 175.30 173.32 2otu s GLN 39 N -3.31 1.91 0.84 3.89 0.74 0.19 -0.67 119.66 123.25 2otu s GLN 39 Ca 0.28 -0.45 -0.11 0.00 0.05 0.00 0.00 55.36 55.12 2otu s GLN 39 Cb -0.06 -1.91 0.10 0.00 1.10 0.00 0.00 33.01 32.23 2otu s GLN 39 CO 0.14 -0.28 1.10 0.95 -0.55 0.00 0.00 175.29 176.65 2otu s THR 40 N 1.58 2.88 0.60 -0.34 -4.23 -0.27 -0.94 115.64 114.91 2otu s THR 40 Ca 0.04 0.28 0.29 0.00 -1.18 0.00 0.00 61.69 61.13 2otu s THR 40 Cb -0.13 -2.91 0.36 0.00 1.34 0.00 0.00 72.50 71.16 2otu s THR 40 CO -0.09 -0.37 2.08 -0.65 -0.54 0.00 0.00 174.62 175.04 2otu h PRO 41 N -1.30 0.00 -0.04 3.99 0.11 -1.91 0.21 132.00 133.06 2otu h PRO 41 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2otu h PRO 41 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2otu h PRO 41 CO 0.57 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.75 2otu n GLU 42 N -3.71 1.15 -1.00 1.05 4.71 -1.26 -4.88 120.64 116.70 2otu n GLU 42 Ca 0.02 -0.23 -0.00 0.00 -0.01 0.00 0.00 57.16 56.94 2otu n GLU 42 Cb 0.36 -1.24 -0.00 0.00 -1.01 0.00 0.00 31.44 29.55 2otu n GLU 42 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2otu n LYS 43 N -0.49 -0.15 -2.89 3.49 4.76 0.74 -5.02 118.16 118.60 2otu n LYS 43 Ca 0.11 0.05 -0.41 0.00 -2.87 0.00 0.00 58.31 55.19 2otu n LYS 43 Cb 0.10 -3.17 -0.04 0.00 -1.84 0.00 0.00 35.03 30.08 2otu n LYS 43 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 2otu s ARG 44 N -0.20 4.49 0.11 1.97 1.70 -1.25 -4.79 118.95 120.98 2otu s ARG 44 Ca 0.00 1.13 -0.17 0.00 -0.47 0.00 0.00 55.73 56.22 2otu s ARG 44 Cb 0.00 -3.45 -0.07 0.00 -0.57 0.00 0.00 34.95 30.86 2otu s ARG 44 CO 0.00 0.01 0.56 -0.51 -1.08 0.00 0.00 175.30 174.28 2otu s LEU 45 N 0.91 4.44 -0.11 -1.89 1.43 -1.26 -1.11 118.68 121.08 2otu s LEU 45 Ca 0.44 1.18 -0.05 0.00 -1.03 0.00 0.00 54.13 54.68 2otu s LEU 45 Cb -0.19 -3.06 0.06 0.00 0.03 0.00 0.00 46.19 43.02 2otu s LEU 45 CO 0.23 0.20 0.23 -0.70 0.23 0.00 0.00 176.35 176.54 2otu s GLU 46 N -1.49 0.14 0.17 1.70 2.12 0.15 -5.00 118.70 116.49 2otu s GLU 46 Ca 0.33 0.64 -0.30 0.00 0.36 0.00 0.00 54.97 55.99 2otu s GLU 46 Cb -0.17 -0.11 -0.08 0.00 0.26 0.00 0.00 34.13 34.03 2otu s GLU 46 CO 0.19 -0.25 1.32 -0.46 -0.54 0.00 0.00 175.26 175.51 2otu s TRP 47 N 2.03 3.27 0.00 5.30 -0.00 -1.26 -1.03 118.94 127.26 2otu s TRP 47 Ca -0.02 1.16 0.00 0.00 -0.00 0.00 0.00 56.10 57.25 2otu s TRP 47 Cb -0.12 -3.60 0.00 0.00 -0.00 0.00 0.00 33.47 29.75 2otu s TRP 47 CO -0.08 -1.95 0.00 1.33 -0.00 0.00 0.00 176.95 176.26 2otu n VAL 48 N 3.07 0.00 -3.58 5.86 0.24 -0.47 -4.66 118.33 118.79 2otu n VAL 48 Ca 0.08 -0.20 -0.13 0.00 -2.04 0.00 0.00 64.34 62.05 2otu n VAL 48 Cb 0.43 0.70 -0.06 0.00 -1.47 0.00 0.00 33.84 33.44 2otu n VAL 48 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2otu s ALA 49 N -1.47 -1.88 0.00 2.33 0.00 -1.03 -4.23 121.76 115.48 2otu s ALA 49 Ca 0.00 1.59 0.03 0.00 0.00 0.00 0.00 51.96 53.58 2otu s ALA 49 Cb 0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 2otu s ALA 49 CO 0.00 -0.32 -0.10 0.12 0.00 0.00 0.00 175.76 175.47 2otu s PHE 50 N -0.80 0.86 -0.03 0.00 5.36 -0.58 -1.71 117.98 121.09 2otu s PHE 50 Ca -0.03 -0.21 -0.01 0.00 -0.96 0.00 0.00 56.93 55.71 2otu s PHE 50 Cb -0.01 -0.54 0.02 0.00 -0.34 0.00 0.00 43.02 42.15 2otu s PHE 50 CO 0.03 -0.01 0.06 -1.50 -1.46 0.00 0.00 175.22 172.33 2otu s ILE 51 N -0.41 -0.03 0.97 3.12 2.07 -0.49 -2.21 121.20 124.22 2otu s ILE 51 Ca 0.02 0.13 -0.12 0.00 -1.41 0.00 0.00 60.65 59.26 2otu s ILE 51 Cb -0.05 -0.10 0.17 0.00 0.13 0.00 0.00 42.46 42.61 2otu s ILE 51 CO -0.00 0.05 1.09 -0.94 -1.91 0.00 0.00 174.94 173.24 2otu s SER 52 N 0.68 2.86 0.29 4.50 1.04 -0.22 -1.45 113.70 121.40 2otu s SER 52 Ca -0.05 1.25 0.02 0.00 0.48 0.00 0.00 55.95 57.64 2otu s SER 52 Cb -0.08 -1.92 0.56 0.00 0.10 0.00 0.00 66.02 64.69 2otu s SER 52 CO -0.02 -2.99 1.86 -0.55 0.98 0.00 0.00 173.24 172.52 2otu h ASN 53 N -1.80 0.91 -0.31 7.02 -0.00 -1.85 -1.21 115.58 118.34 2otu h ASN 53 Ca -0.53 0.03 0.00 0.00 -0.00 0.00 0.00 56.30 55.80 2otu h ASN 53 Cb 1.32 -0.15 0.00 0.00 -0.00 0.00 0.00 38.32 39.49 2otu h ASN 53 CO 0.57 0.51 0.00 0.61 -0.00 0.00 0.00 177.43 179.12 2otu n GLY 54 N -1.37 1.16 2.46 9.14 0.00 -1.26 -4.71 105.19 110.61 2otu n GLY 54 Ca 0.17 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2otu n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2otu n GLY 55 N 1.35 0.73 0.24 -0.02 0.00 -0.46 -4.94 105.19 102.10 2otu n GLY 55 Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.21 2otu n GLY 55 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2otu h GLY 56 N 0.00 0.30 -4.70 -0.02 0.00 -1.92 -3.45 103.07 93.29 2otu h GLY 56 Ca 0.00 -0.20 -0.42 0.00 0.00 0.00 0.00 47.33 46.71 2otu h GLY 56 CO 0.00 0.18 -0.79 -0.56 0.00 0.00 0.00 176.54 175.38 2otu s SER 57 N -6.86 1.58 0.03 0.19 0.01 -1.26 -5.00 113.70 102.38 2otu s SER 57 Ca -0.06 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.73 2otu s SER 57 Cb 0.15 -0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.27 2otu s SER 57 CO 0.74 -0.00 -0.03 0.42 0.41 0.00 0.00 173.24 174.78 2otu s THR 58 N -0.94 0.16 0.02 1.44 -4.23 -1.26 -1.06 115.64 109.78 2otu s THR 58 Ca 0.00 -1.00 -0.05 0.00 -1.18 0.00 0.00 61.69 59.46 2otu s THR 58 Cb -0.08 -0.40 -0.01 0.00 1.34 0.00 0.00 72.50 73.35 2otu s THR 58 CO 0.01 -0.53 0.08 -0.31 -0.54 0.00 0.00 174.62 173.33 2otu s TYR 59 N -1.66 0.15 0.01 3.99 2.02 -0.94 -4.99 117.35 115.94 2otu s TYR 59 Ca -0.13 -0.36 -0.11 0.00 -0.37 0.00 0.00 57.07 56.10 2otu s TYR 59 Cb -0.08 -0.12 0.01 0.00 -0.40 0.00 0.00 41.96 41.37 2otu s TYR 59 CO -0.02 -0.29 0.22 0.71 -1.57 0.00 0.00 175.55 174.61 2otu s TYR 60 N -1.81 -0.04 0.71 2.71 2.02 -1.26 -1.52 117.35 118.16 2otu s TYR 60 Ca -0.12 -0.04 -0.11 0.00 -0.37 0.00 0.00 57.07 56.43 2otu s TYR 60 Cb -0.06 0.01 0.01 0.00 -0.40 0.00 0.00 41.96 41.53 2otu s TYR 60 CO -0.01 -0.38 1.07 -1.25 -1.57 0.00 0.00 175.55 173.41 2otu s PRO 61 N -1.81 2.84 0.53 -1.71 0.04 -1.26 -4.79 135.00 128.85 2otu s PRO 61 Ca -0.11 0.73 0.19 0.00 0.04 0.00 0.00 61.00 61.85 2otu s PRO 61 Cb -0.04 -2.00 1.37 0.00 0.04 0.00 0.00 34.50 33.87 2otu s PRO 61 CO 0.00 -1.11 2.17 -0.44 0.04 0.00 0.00 177.00 177.67 2otu h ASP 62 N -0.72 0.00 -0.21 6.66 3.32 -1.97 -1.89 116.42 121.61 2otu h ASP 62 Ca -0.45 0.00 0.05 0.00 0.02 0.00 0.00 57.03 56.66 2otu h ASP 62 Cb 1.23 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 2otu h ASP 62 CO 0.60 0.00 0.15 0.71 -1.72 0.00 0.00 179.24 178.98 2otu h THR 63 N 0.00 0.91 0.00 0.35 1.35 -1.98 -3.22 112.91 110.32 2otu h THR 63 Ca -0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 2otu h THR 63 Cb 0.00 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 67.30 2otu h THR 63 CO 0.00 0.01 0.00 1.33 -0.25 0.00 0.00 175.52 176.61 2otu n VAL 64 N -4.48 0.00 -1.74 6.82 0.24 -1.07 -4.98 118.33 113.12 2otu n VAL 64 Ca 0.02 -0.38 -0.42 0.00 -2.04 0.00 0.00 64.34 61.52 2otu n VAL 64 Cb 0.27 1.11 -0.02 0.00 -1.47 0.00 0.00 33.84 33.73 2otu n VAL 64 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2otu s LYS 65 N -0.41 4.12 0.00 7.34 2.20 -0.73 -0.83 119.74 131.42 2otu s LYS 65 Ca 0.00 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.21 2otu s LYS 65 Cb 0.00 -3.05 0.00 0.00 -1.51 0.00 0.00 37.83 33.27 2otu s LYS 65 CO 0.00 -0.71 0.00 0.41 -0.36 0.00 0.00 175.35 174.69 2otu n GLY 66 N 3.22 1.07 0.15 5.54 0.00 -1.26 -4.80 105.19 109.11 2otu n GLY 66 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2otu n GLY 66 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2otu n ARG 67 N -2.00 0.00 -4.13 1.61 0.63 -0.01 -5.04 116.66 107.71 2otu n ARG 67 Ca 0.00 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.61 2otu n ARG 67 Cb 0.00 -0.86 -0.07 0.00 0.45 0.00 0.00 32.46 31.98 2otu n ARG 67 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2otu s PHE 68 N -1.86 3.18 -0.08 -0.14 0.40 -0.39 -1.95 117.98 117.14 2otu s PHE 68 Ca 0.00 0.11 -0.00 0.00 -0.60 0.00 0.00 56.93 56.44 2otu s PHE 68 Cb 0.00 -1.67 0.02 0.00 0.51 0.00 0.00 43.02 41.89 2otu s PHE 68 CO 0.00 0.51 -0.04 0.99 0.70 0.00 0.00 175.22 177.39 2otu s THR 69 N -1.24 0.64 -0.04 0.64 2.01 -0.01 -4.83 115.64 112.81 2otu s THR 69 Ca 0.24 -0.08 -0.11 0.00 0.31 0.00 0.00 61.69 62.05 2otu s THR 69 Cb -0.12 -0.72 -0.05 0.00 0.01 0.00 0.00 72.50 71.62 2otu s THR 69 CO 0.16 0.29 0.30 -0.51 -0.69 0.00 0.00 174.62 174.17 2otu s ILE 70 N 1.61 5.23 0.23 1.82 2.07 -1.26 -0.51 121.20 130.39 2otu s ILE 70 Ca 0.01 0.55 -0.11 0.00 -1.41 0.00 0.00 60.65 59.68 2otu s ILE 70 Cb -0.13 -3.58 -0.01 0.00 0.13 0.00 0.00 42.46 38.87 2otu s ILE 70 CO -0.05 0.57 0.42 -0.94 -1.91 0.00 0.00 174.94 173.03 2otu s SER 71 N -1.13 -0.06 -0.06 4.50 1.04 -0.96 -5.01 113.70 112.01 2otu s SER 71 Ca 0.21 -0.94 -0.16 0.00 0.48 0.00 0.00 55.95 55.55 2otu s SER 71 Cb -0.15 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.55 2otu s SER 71 CO 0.10 -1.07 0.37 0.00 0.98 0.00 0.00 173.24 173.62 2otu s ARG 72 N -4.02 0.64 -0.39 4.02 1.70 -1.26 -0.85 118.95 118.78 2otu s ARG 72 Ca 0.22 0.07 0.03 0.00 -0.47 0.00 0.00 55.73 55.58 2otu s ARG 72 Cb 0.01 0.29 0.11 0.00 -0.57 0.00 0.00 34.95 34.79 2otu s ARG 72 CO 0.07 -0.16 0.12 0.34 -1.08 0.00 0.00 175.30 174.60 2otu s ASP 73 N -0.85 4.79 0.36 -2.89 3.68 -0.43 -4.98 116.67 116.35 2otu s ASP 73 Ca -0.09 -2.30 0.05 0.00 2.13 0.00 0.00 52.55 52.33 2otu s ASP 73 Cb -0.04 -1.67 0.68 0.00 -1.45 0.00 0.00 42.92 40.44 2otu s ASP 73 CO 0.04 -0.38 1.96 0.78 0.13 0.00 0.00 175.17 177.69 2otu h ASN 74 N 7.48 0.54 -0.49 -0.34 2.35 -1.95 -1.43 115.58 121.75 2otu h ASN 74 Ca -0.06 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.62 2otu h ASN 74 Cb 1.00 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 39.21 2otu h ASN 74 CO 0.58 0.49 0.26 0.00 -1.65 0.00 0.00 177.43 177.11 2otu h ALA 75 N 1.59 1.48 -0.05 -0.83 0.00 -1.96 -2.22 119.26 117.29 2otu h ALA 75 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2otu h ALA 75 Cb 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2otu h ALA 75 CO -0.02 0.42 0.00 1.63 0.00 0.00 0.00 179.25 181.28 2otu n LYS 76 N -4.39 1.90 -3.85 0.00 5.02 -0.84 -4.96 118.16 111.05 2otu n LYS 76 Ca 0.04 -1.32 -0.26 0.00 -2.02 0.00 0.00 58.31 54.76 2otu n LYS 76 Cb 0.12 -1.47 0.01 0.00 -0.02 0.00 0.00 35.03 33.67 2otu n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2otu n ASN 77 N 0.59 -2.07 -4.02 4.39 4.13 -0.60 -4.85 115.26 112.84 2otu n ASN 77 Ca 0.17 -0.86 -0.18 0.00 1.68 0.00 0.00 54.58 55.39 2otu n ASN 77 Cb 0.44 -3.70 -0.14 0.00 -1.54 0.00 0.00 39.78 34.83 2otu n ASN 77 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2otu s THR 78 N -3.61 0.67 0.04 3.41 2.01 -1.03 -1.48 115.64 115.64 2otu s THR 78 Ca 0.23 -0.41 0.04 0.00 0.31 0.00 0.00 61.69 61.85 2otu s THR 78 Cb -0.12 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.79 2otu s THR 78 CO 0.84 0.16 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.67 2otu s LEU 79 N -0.29 3.31 0.12 4.42 2.96 -0.35 -1.32 118.68 127.53 2otu s LEU 79 Ca 0.03 -0.15 0.04 0.00 -0.22 0.00 0.00 54.13 53.83 2otu s LEU 79 Cb -0.04 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 2otu s LEU 79 CO -0.00 0.24 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.87 2otu s TYR 80 N -1.12 1.12 -0.18 5.38 2.02 -0.03 -0.45 117.35 124.09 2otu s TYR 80 Ca 0.20 -0.75 -0.05 0.00 -0.37 0.00 0.00 57.07 56.10 2otu s TYR 80 Cb -0.11 -0.60 0.06 0.00 -0.40 0.00 0.00 41.96 40.91 2otu s TYR 80 CO 0.12 0.01 0.09 -1.17 -1.57 0.00 0.00 175.55 173.02 2otu s LEU 81 N -2.89 0.40 -0.20 -1.29 2.96 -0.55 -2.28 118.68 114.84 2otu s LEU 81 Ca 0.12 -0.66 -0.22 0.00 -0.22 0.00 0.00 54.13 53.14 2otu s LEU 81 Cb 0.01 -0.27 -0.02 0.00 0.50 0.00 0.00 46.19 46.42 2otu s LEU 81 CO -0.01 -0.35 0.71 -1.58 -1.32 0.00 0.00 176.35 173.80 2otu s GLN 82 N 2.12 4.22 -0.30 1.98 2.00 0.33 -0.63 119.66 129.38 2otu s GLN 82 Ca 0.02 0.76 -0.01 0.00 -2.00 0.00 0.00 55.36 54.13 2otu s GLN 82 Cb -0.16 -3.59 0.06 0.00 0.80 0.00 0.00 33.01 30.12 2otu s GLN 82 CO -0.10 -0.31 0.00 -1.64 -0.50 0.00 0.00 175.29 172.73 2otu s MET 83 N 2.14 2.29 0.32 1.67 -1.94 0.29 -0.83 119.30 123.24 2otu s MET 83 Ca 0.32 -1.37 0.10 0.00 -1.71 0.00 0.00 55.69 53.03 2otu s MET 83 Cb -0.16 -3.16 -0.05 0.00 2.01 0.00 0.00 34.83 33.46 2otu s MET 83 CO 0.10 -0.67 -0.07 -1.12 -0.01 0.00 0.00 175.02 173.25 2otu s SER 84 N 1.26 3.95 -1.28 3.03 0.01 -0.82 -1.43 113.70 118.42 2otu s SER 84 Ca -0.04 -1.01 -0.06 0.00 1.31 0.00 0.00 55.95 56.14 2otu s SER 84 Cb -0.20 -0.46 -0.01 0.00 0.21 0.00 0.00 66.02 65.56 2otu s SER 84 CO -0.03 -0.13 0.64 0.54 0.41 0.00 0.00 173.24 174.68 2otu n ARG 85 N -0.82 -3.17 -1.88 12.44 1.74 -1.07 -4.72 116.66 119.19 2otu n ARG 85 Ca -0.05 0.51 -0.38 0.00 -0.77 0.00 0.00 57.85 57.15 2otu n ARG 85 Cb 0.62 -4.67 0.03 0.00 -1.02 0.00 0.00 32.46 27.42 2otu n ARG 85 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2otu s LEU 86 N -6.67 3.93 0.18 0.55 1.43 -0.72 -4.66 118.68 112.73 2otu s LEU 86 Ca 0.16 2.70 0.11 0.00 -1.03 0.00 0.00 54.13 56.06 2otu s LEU 86 Cb -0.05 -4.21 -0.04 0.00 0.03 0.00 0.00 46.19 41.92 2otu s LEU 86 CO 0.85 -1.38 -0.22 -0.54 0.23 0.00 0.00 176.35 175.29 2otu s LYS 87 N -2.78 1.45 0.49 1.70 1.02 -1.26 0.04 119.74 120.40 2otu s LYS 87 Ca 0.68 -1.49 0.20 0.00 0.02 0.00 0.00 55.97 55.38 2otu s LYS 87 Cb -0.39 -1.69 1.25 0.00 -0.52 0.00 0.00 37.83 36.48 2otu s LYS 87 CO 0.47 0.36 2.01 0.77 -0.92 0.00 0.00 175.35 178.03 2otu h SER 88 N 3.22 0.13 0.06 2.83 0.02 -1.83 0.11 113.55 118.09 2otu h SER 88 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2otu h SER 88 Cb 1.21 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2otu h SER 88 CO 0.49 0.08 0.00 -0.08 -1.14 0.00 0.00 176.83 176.17 2otu h GLU 89 N 0.14 0.00 -0.00 3.45 4.81 -1.94 -1.80 114.58 119.24 2otu h GLU 89 Ca 0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 2otu h GLU 89 Cb 0.74 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.12 2otu h GLU 89 CO -0.03 0.00 -0.08 -0.25 -0.73 0.00 0.00 179.01 177.92 2otu n ASP 90 N -2.82 0.26 -4.68 1.04 8.00 0.39 -4.85 116.55 113.88 2otu n ASP 90 Ca -0.02 -0.33 -0.42 0.00 0.71 0.00 0.00 54.79 54.73 2otu n ASP 90 Cb 0.07 -0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 40.98 2otu n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2otu s THR 91 N -2.56 2.76 -0.09 -3.53 2.01 -0.68 -4.88 115.64 108.67 2otu s THR 91 Ca 0.27 0.03 -0.32 0.00 0.31 0.00 0.00 61.69 61.98 2otu s THR 91 Cb 0.20 -3.02 0.14 0.00 0.01 0.00 0.00 72.50 69.83 2otu s THR 91 CO 0.48 -0.00 1.41 0.00 -0.69 0.00 0.00 174.62 175.82 2otu s ALA 92 N 3.56 -2.54 -0.18 7.40 0.00 -0.67 -4.38 121.76 124.95 2otu s ALA 92 Ca 0.85 0.79 -0.19 0.00 0.00 0.00 0.00 51.96 53.40 2otu s ALA 92 Cb -0.44 0.37 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 2otu s ALA 92 CO 0.39 -1.08 0.54 1.41 0.00 0.00 0.00 175.76 177.02 2otu s MET 93 N -2.05 4.22 -0.22 0.00 -2.45 -0.12 -1.27 119.30 117.41 2otu s MET 93 Ca 0.18 0.48 -0.09 0.00 -1.25 0.00 0.00 55.69 55.00 2otu s MET 93 Cb 0.06 -3.54 -0.05 0.00 1.25 0.00 0.00 34.83 32.55 2otu s MET 93 CO -0.06 -0.12 0.12 0.71 1.05 0.00 0.00 175.02 176.73 2otu s TYR 94 N 1.52 3.28 -0.04 4.11 1.51 0.50 -0.63 117.35 127.59 2otu s TYR 94 Ca 0.26 0.12 0.04 0.00 -1.01 0.00 0.00 57.07 56.48 2otu s TYR 94 Cb -0.16 -2.21 -0.03 0.00 -0.11 0.00 0.00 41.96 39.46 2otu s TYR 94 CO 0.10 0.05 -0.16 0.71 -1.11 0.00 0.00 175.55 175.15 2otu s TYR 95 N 0.90 2.66 0.12 2.71 1.51 0.85 -1.32 117.35 124.78 2otu s TYR 95 Ca 0.06 -0.19 0.00 0.00 -1.01 0.00 0.00 57.07 55.93 2otu s TYR 95 Cb -0.13 -1.60 -0.04 0.00 -0.11 0.00 0.00 41.96 40.08 2otu s TYR 95 CO 0.03 0.18 0.28 0.00 -1.11 0.00 0.00 175.55 174.93 2otu s ALA 97 N -1.66 -0.37 0.06 0.00 0.00 -0.34 -1.47 121.76 117.98 2otu s ALA 97 Ca 0.36 -0.38 0.06 0.00 0.00 0.00 0.00 51.96 52.00 2otu s ALA 97 Cb -0.12 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.37 2otu s ALA 97 CO 0.28 -0.45 -0.17 0.50 0.00 0.00 0.00 175.76 175.92 2otu s ARG 98 N -3.19 1.08 0.65 0.00 3.52 -0.24 -1.38 118.95 119.40 2otu s ARG 98 Ca -0.00 -0.91 0.03 0.00 -0.13 0.00 0.00 55.73 54.72 2otu s ARG 98 Cb 0.02 -1.17 0.10 0.00 -1.56 0.00 0.00 34.95 32.35 2otu s ARG 98 CO -0.07 0.29 0.90 0.20 -0.81 0.00 0.00 175.30 175.80 2otu s GLY 99 N -1.36 1.76 -0.28 8.12 0.00 -0.80 -0.98 107.32 113.78 2otu s GLY 99 Ca 0.04 -1.85 -0.17 0.00 0.00 0.00 0.00 44.72 42.73 2otu s GLY 99 CO 0.02 -1.35 0.74 -1.60 0.00 0.00 0.00 173.10 170.92 2otu s ARG 100 N -4.93 0.67 7.82 2.90 3.52 -0.04 -4.76 118.95 124.13 2otu s ARG 100 Ca 0.64 1.11 0.00 0.00 -0.13 0.00 0.00 55.73 57.35 2otu s ARG 100 Cb -0.06 0.16 0.00 0.00 -1.56 0.00 0.00 34.95 33.49 2otu s ARG 100 CO 0.42 -0.13 0.00 0.41 -0.81 0.00 0.00 175.30 175.19 2otu n GLY 101 N 4.01 3.35 0.59 8.12 0.00 -1.26 -1.04 105.19 118.96 2otu n GLY 101 Ca -0.19 -0.12 0.06 0.00 0.00 0.00 0.00 46.02 45.77 2otu n GLY 101 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2otu n TYR 102 N 13.31 0.19 -2.87 1.61 4.02 -1.26 -4.96 117.16 127.19 2otu n TYR 102 Ca 0.00 -0.18 -0.41 0.00 -0.01 0.00 0.00 57.90 57.30 2otu n TYR 102 Cb 0.00 -0.01 -0.04 0.00 -0.02 0.00 0.00 39.34 39.27 2otu n TYR 102 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2otu s VAL 103 N -1.04 4.90 -0.01 -0.72 1.01 -0.20 -4.98 120.40 119.36 2otu s VAL 103 Ca 0.19 1.72 -0.25 0.00 0.00 0.00 0.00 61.98 63.64 2otu s VAL 103 Cb 0.12 -4.17 -0.18 0.00 0.00 0.00 0.00 36.38 32.15 2otu s VAL 103 CO 0.17 0.09 1.25 -0.50 0.00 0.00 0.00 175.10 176.11 2otu h TRP 104 N 7.09 -0.13 -2.57 5.22 4.06 -1.91 -0.06 115.95 127.65 2otu h TRP 104 Ca -0.34 -0.00 -0.71 0.00 2.06 0.00 0.00 58.89 59.90 2otu h TRP 104 Cb 1.16 0.04 -0.35 0.00 -1.00 0.00 0.00 29.16 29.01 2otu h TRP 104 CO 0.70 0.27 0.10 1.19 -3.56 0.00 0.00 178.44 177.14 2otu n PHE 105 N -4.96 2.97 0.05 0.49 0.99 -1.26 -1.91 117.46 113.84 2otu n PHE 105 Ca -0.09 -3.37 -0.06 0.00 -0.00 0.00 0.00 57.45 53.93 2otu n PHE 105 Cb 0.24 -0.91 -0.11 0.00 -1.00 0.00 0.00 39.48 37.70 2otu n PHE 105 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2otu h ALA 106 N 4.83 0.45 -3.93 4.37 0.00 -1.25 -3.45 119.26 120.28 2otu h ALA 106 Ca 0.20 -0.95 -0.47 0.00 0.00 0.00 0.00 54.91 53.70 2otu h ALA 106 Cb 0.64 -0.04 -0.30 0.00 0.00 0.00 0.00 17.79 18.08 2otu h ALA 106 CO 1.09 1.23 -0.80 0.71 0.00 0.00 0.00 179.25 181.48 2otu s TYR 107 N -2.72 1.17 0.11 0.00 2.02 -0.59 -4.99 117.35 112.35 2otu s TYR 107 Ca 0.00 -0.28 0.08 0.00 -0.37 0.00 0.00 57.07 56.50 2otu s TYR 107 Cb 0.09 -0.80 -0.04 0.00 -0.40 0.00 0.00 41.96 40.82 2otu s TYR 107 CO 0.81 -0.09 -0.20 -1.58 -1.57 0.00 0.00 175.55 172.92 2otu s TRP 108 N 0.02 1.80 0.08 2.71 0.52 -1.26 -1.08 118.94 121.74 2otu s TRP 108 Ca -0.01 -0.43 -0.01 0.00 0.02 0.00 0.00 56.10 55.67 2otu s TRP 108 Cb -0.08 -0.97 0.02 0.00 -1.15 0.00 0.00 33.47 31.29 2otu s TRP 108 CO 0.01 0.23 0.11 0.41 0.02 0.00 0.00 176.95 177.73 2otu n GLY 109 N 0.96 -0.69 0.15 0.98 0.00 -0.54 -4.70 105.19 101.34 2otu n GLY 109 Ca -0.18 -1.74 0.07 0.00 0.00 0.00 0.00 46.02 44.16 2otu n GLY 109 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2otu h GLN 110 N 0.00 0.00 0.00 1.61 4.20 -1.90 -3.46 115.11 115.55 2otu h GLN 110 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2otu h GLN 110 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 2otu h GLN 110 CO 0.03 0.20 0.00 0.41 -0.67 0.00 0.00 178.83 178.80 2otu n GLY 111 N 1.20 0.29 2.81 3.46 0.00 -1.26 -5.04 105.19 106.66 2otu n GLY 111 Ca 0.00 -1.59 -0.16 0.00 0.00 0.00 0.00 46.02 44.27 2otu n GLY 111 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2otu s THR 112 N -2.80 0.13 -0.08 2.61 -1.32 -0.43 -4.78 115.64 108.96 2otu s THR 112 Ca 0.00 0.10 -0.22 0.00 -1.21 0.00 0.00 61.69 60.37 2otu s THR 112 Cb 0.00 -0.23 -0.04 0.00 -1.51 0.00 0.00 72.50 70.73 2otu s THR 112 CO 0.00 0.13 0.64 -0.89 -2.21 0.00 0.00 174.62 172.29 2otu s THR 113 N 0.98 5.09 -0.20 5.08 2.01 -1.26 -0.37 115.64 126.96 2otu s THR 113 Ca -0.10 1.31 -0.04 0.00 0.31 0.00 0.00 61.69 63.18 2otu s THR 113 Cb -0.13 -3.98 -0.01 0.00 0.01 0.00 0.00 72.50 68.39 2otu s THR 113 CO -0.02 0.27 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.45 2otu s VAL 114 N 0.77 3.52 -0.21 3.82 1.01 -0.40 -1.41 120.40 127.50 2otu s VAL 114 Ca 0.34 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 2otu s VAL 114 Cb -0.17 -2.58 0.02 0.00 0.00 0.00 0.00 36.38 33.64 2otu s VAL 114 CO 0.16 0.44 -0.11 -0.89 0.00 0.00 0.00 175.10 174.69 2otu s THR 115 N 1.20 2.66 -0.25 3.92 2.01 -0.37 -1.67 115.64 123.13 2otu s THR 115 Ca 0.03 -0.86 -0.08 0.00 0.31 0.00 0.00 61.69 61.08 2otu s THR 115 Cb -0.14 -2.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.10 2otu s THR 115 CO -0.01 0.39 0.10 -0.69 -0.69 0.00 0.00 174.62 173.73 2otu s VAL 116 N 1.35 4.61 0.00 3.82 1.01 -1.26 -0.01 120.40 129.92 2otu s VAL 116 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.94 2otu s VAL 116 Cb -0.15 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.07 2otu s VAL 116 CO -0.08 0.32 0.00 -1.20 0.00 0.00 0.00 175.10 174.14 2otu n SER 117 N 4.90 -0.12 0.00 3.32 7.64 -0.12 -4.68 113.62 124.56 2otu n SER 117 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.72 2otu n SER 117 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 2otu n SER 117 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79