#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fct s VAL 2 N 0.00 3.21 -0.04 1.69 1.01 -1.26 -4.36 120.40 120.65 3fct s VAL 2 Ca 0.00 0.83 -0.01 0.00 0.00 0.00 0.00 61.98 62.79 3fct s VAL 2 Cb 0.00 -3.53 0.03 0.00 0.00 0.00 0.00 36.38 32.88 3fct s VAL 2 CO 0.00 0.05 0.04 -1.10 0.00 0.00 0.00 175.10 174.09 3fct s GLN 3 N 1.42 0.04 -0.47 2.72 -0.21 -0.99 -5.03 119.66 117.14 3fct s GLN 3 Ca 0.66 0.28 -0.10 0.00 0.02 0.00 0.00 55.36 56.22 3fct s GLN 3 Cb -0.38 -0.50 0.11 0.00 1.00 0.00 0.00 33.01 33.24 3fct s GLN 3 CO 0.30 -0.27 0.35 -0.51 -2.12 0.00 0.00 175.29 173.04 3fct s LEU 4 N 1.81 5.68 -0.15 2.90 1.43 -1.26 -2.99 118.68 126.10 3fct s LEU 4 Ca 0.01 -1.84 -0.26 0.00 -1.03 0.00 0.00 54.13 51.01 3fct s LEU 4 Cb -0.12 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 3fct s LEU 4 CO -0.03 -0.69 0.87 -0.22 0.23 0.00 0.00 176.35 176.50 3fct s LEU 5 N 1.40 4.20 0.01 1.79 2.96 -0.69 -3.87 118.68 124.49 3fct s LEU 5 Ca 0.05 1.26 0.07 0.00 -0.22 0.00 0.00 54.13 55.29 3fct s LEU 5 Cb -0.26 -3.30 -0.03 0.00 0.50 0.00 0.00 46.19 43.10 3fct s LEU 5 CO 0.00 -0.39 -0.21 -1.61 -1.32 0.00 0.00 176.35 172.82 3fct s GLU 6 N 2.03 2.08 1.08 1.98 2.02 -1.26 -0.56 118.70 126.08 3fct s GLU 6 Ca 0.41 -0.96 -0.16 0.00 0.02 0.00 0.00 54.97 54.28 3fct s GLU 6 Cb -0.17 -2.14 0.13 0.00 0.10 0.00 0.00 34.13 32.05 3fct s GLU 6 CO 0.14 0.55 0.36 -1.13 0.02 0.00 0.00 175.26 175.21 3fct n SER 7 N 1.92 -2.02 -4.72 -0.19 3.41 -1.14 -4.89 113.62 105.98 3fct n SER 7 Ca -0.16 -0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.15 3fct n SER 7 Cb 0.52 -1.10 0.15 0.00 -0.26 0.00 0.00 64.21 63.52 3fct n SER 7 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3fct s GLY 8 N -2.04 1.58 0.64 5.00 0.00 -1.26 -4.56 107.32 106.68 3fct s GLY 8 Ca 0.59 -0.36 -0.17 0.00 0.00 0.00 0.00 44.72 44.78 3fct s GLY 8 CO 0.66 0.21 0.66 0.00 0.00 0.00 0.00 173.10 174.63 3fct n ALA 9 N -3.96 -0.88 -2.63 3.20 0.00 -1.26 -4.76 120.51 110.22 3fct n ALA 9 Ca 0.06 -0.10 -0.25 0.00 0.00 0.00 0.00 53.44 53.15 3fct n ALA 9 Cb 0.57 -1.93 -0.16 0.00 0.00 0.00 0.00 19.45 17.94 3fct n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3fct s GLU 10 N -2.56 1.55 -0.22 0.00 0.41 -0.52 -4.75 118.70 112.60 3fct s GLU 10 Ca 0.70 -0.62 -0.05 0.00 -0.41 0.00 0.00 54.97 54.59 3fct s GLU 10 Cb -0.40 -1.44 -0.02 0.00 -1.78 0.00 0.00 34.13 30.49 3fct s GLU 10 CO 0.53 0.33 -0.01 -1.17 -0.49 0.00 0.00 175.26 174.46 3fct s LEU 11 N -0.26 3.10 -0.03 1.80 2.96 -1.26 -1.72 118.68 123.27 3fct s LEU 11 Ca 0.03 -0.30 0.05 0.00 -0.22 0.00 0.00 54.13 53.70 3fct s LEU 11 Cb -0.08 -1.80 -0.01 0.00 0.50 0.00 0.00 46.19 44.80 3fct s LEU 11 CO 0.00 0.01 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.17 3fct s VAL 12 N 1.33 1.51 0.29 1.68 1.01 0.31 -4.98 120.40 121.54 3fct s VAL 12 Ca 0.04 -0.78 -0.28 0.00 0.00 0.00 0.00 61.98 60.96 3fct s VAL 12 Cb -0.15 -1.28 -0.09 0.00 0.00 0.00 0.00 36.38 34.86 3fct s VAL 12 CO -0.00 0.43 1.00 -0.54 0.00 0.00 0.00 175.10 175.99 3fct s LYS 13 N -0.14 4.66 0.14 2.72 1.02 -1.25 -0.81 119.74 126.08 3fct s LYS 13 Ca -0.00 1.56 -0.35 0.00 0.02 0.00 0.00 55.97 57.21 3fct s LYS 13 Cb -0.10 -3.08 -0.15 0.00 -0.52 0.00 0.00 37.83 33.98 3fct s LYS 13 CO 0.01 0.30 1.45 -2.30 -0.92 0.00 0.00 175.35 173.89 3fct n PRO 14 N 1.04 1.71 0.00 -1.68 -0.02 -1.26 -1.80 135.00 132.99 3fct n PRO 14 Ca -0.00 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3fct n PRO 14 Cb 0.47 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 3fct n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fct n GLY 15 N 2.87 2.73 0.00 -1.23 0.00 0.28 -4.94 105.19 104.90 3fct n GLY 15 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3fct n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fct n ALA 16 N -1.36 0.00 -2.31 4.61 0.00 -0.75 -3.97 120.51 116.73 3fct n ALA 16 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 3fct n ALA 16 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 3fct n ALA 16 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3fct s SER 17 N -1.00 1.24 -0.08 0.00 0.01 -1.26 -2.11 113.70 110.50 3fct s SER 17 Ca 0.00 -1.50 -0.18 0.00 1.31 0.00 0.00 55.95 55.58 3fct s SER 17 Cb 0.00 0.34 0.04 0.00 0.21 0.00 0.00 66.02 66.61 3fct s SER 17 CO 0.00 -0.85 0.44 0.54 0.41 0.00 0.00 173.24 173.77 3fct s VAL 18 N -3.72 0.02 -0.30 3.43 0.11 -0.69 -4.97 120.40 114.29 3fct s VAL 18 Ca 0.37 -0.20 0.01 0.00 -2.93 0.00 0.00 61.98 59.23 3fct s VAL 18 Cb 0.06 -0.70 0.07 0.00 -1.53 0.00 0.00 36.38 34.28 3fct s VAL 18 CO 0.16 -0.11 -0.02 -0.75 -3.33 0.00 0.00 175.10 171.05 3fct s LYS 19 N -0.68 2.19 -0.01 1.54 2.47 -1.26 -0.72 119.74 123.27 3fct s LYS 19 Ca -0.08 -1.43 -0.16 0.00 -1.56 0.00 0.00 55.97 52.74 3fct s LYS 19 Cb -0.03 -3.11 -0.06 0.00 -1.46 0.00 0.00 37.83 33.17 3fct s LYS 19 CO 0.04 -0.68 0.45 -0.51 0.16 0.00 0.00 175.35 174.80 3fct s LEU 20 N 1.14 4.45 0.15 5.43 1.02 0.11 -4.93 118.68 126.05 3fct s LEU 20 Ca -0.03 0.99 0.08 0.00 0.02 0.00 0.00 54.13 55.19 3fct s LEU 20 Cb -0.20 -2.66 -0.04 0.00 0.02 0.00 0.00 46.19 43.31 3fct s LEU 20 CO -0.04 0.26 -0.08 -0.94 0.02 0.00 0.00 176.35 175.58 3fct s SER 21 N -0.78 4.42 -0.35 2.29 1.04 -1.26 -0.83 113.70 118.23 3fct s SER 21 Ca 0.25 -0.47 0.01 0.00 0.48 0.00 0.00 55.95 56.21 3fct s SER 21 Cb -0.17 -0.83 0.14 0.00 0.10 0.00 0.00 66.02 65.27 3fct s SER 21 CO 0.14 0.12 0.27 0.00 0.98 0.00 0.00 173.24 174.75 3fct s LYS 23 N 1.35 4.27 -0.02 0.00 2.20 0.28 -0.91 119.74 126.91 3fct s LYS 23 Ca 0.16 0.99 -0.14 0.00 -0.36 0.00 0.00 55.97 56.62 3fct s LYS 23 Cb -0.19 -3.59 -0.05 0.00 -1.51 0.00 0.00 37.83 32.48 3fct s LYS 23 CO -0.05 -0.37 0.39 0.00 -0.36 0.00 0.00 175.35 174.96 3fct s ALA 24 N 2.31 3.69 0.01 3.13 0.00 -0.89 -1.70 121.76 128.32 3fct s ALA 24 Ca 0.37 -0.25 -0.12 0.00 0.00 0.00 0.00 51.96 51.96 3fct s ALA 24 Cb -0.16 -2.38 0.01 0.00 0.00 0.00 0.00 23.12 20.59 3fct s ALA 24 CO 0.11 0.44 0.24 -1.54 0.00 0.00 0.00 175.76 175.02 3fct s SER 25 N -0.90 -0.09 0.00 0.00 1.04 -1.16 -4.83 113.70 107.76 3fct s SER 25 Ca 0.23 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.55 3fct s SER 25 Cb -0.16 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.24 3fct s SER 25 CO 0.12 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.48 3fct n GLY 26 N 1.13 0.78 3.59 7.32 0.00 -1.26 -2.35 105.19 114.40 3fct n GLY 26 Ca -0.21 -0.02 -0.05 0.00 0.00 0.00 0.00 46.02 45.74 3fct n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3fct s TYR 27 N -2.00 -0.15 -0.18 1.61 1.13 -1.26 -4.30 117.35 112.20 3fct s TYR 27 Ca 0.00 0.09 -0.28 0.00 -1.41 0.00 0.00 57.07 55.47 3fct s TYR 27 Cb 0.00 0.52 -0.05 0.00 -1.10 0.00 0.00 41.96 41.32 3fct s TYR 27 CO 0.00 -0.24 2.13 0.99 -2.51 0.00 0.00 175.55 175.92 3fct s THR 28 N -2.50 3.06 0.05 -3.49 2.01 -1.26 -4.89 115.64 108.62 3fct s THR 28 Ca 0.09 0.07 -0.32 0.00 0.31 0.00 0.00 61.69 61.83 3fct s THR 28 Cb -0.01 -3.07 -0.18 0.00 0.01 0.00 0.00 72.50 69.24 3fct s THR 28 CO -0.05 -0.04 1.45 0.15 -0.69 0.00 0.00 174.62 175.44 3fct h PHE 29 N 14.05 -0.94 0.00 4.92 3.57 -1.95 -2.61 116.94 133.99 3fct h PHE 29 Ca -0.42 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.06 3fct h PHE 29 Cb 1.23 0.31 0.00 0.00 2.79 0.00 0.00 35.95 40.28 3fct h PHE 29 CO 0.94 -0.57 0.00 0.25 -2.23 0.00 0.00 178.31 176.71 3fct n THR 30 N -5.49 0.00 0.79 4.41 -2.24 -1.26 -2.42 114.28 108.07 3fct n THR 30 Ca -0.14 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.72 3fct n THR 30 Cb 0.41 -0.23 -0.07 0.00 -2.10 0.00 0.00 70.33 68.34 3fct n THR 30 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3fct n SER 31 N 0.02 1.02 -3.85 3.42 2.88 -0.98 -4.41 113.62 111.72 3fct n SER 31 Ca 0.00 -1.01 -0.12 0.00 -1.33 0.00 0.00 58.87 56.41 3fct n SER 31 Cb 0.04 0.87 -0.11 0.00 -0.75 0.00 0.00 64.21 64.26 3fct n SER 31 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3fct s TYR 32 N -2.46 -0.03 0.53 0.66 2.02 -1.02 -5.09 117.35 111.97 3fct s TYR 32 Ca 0.08 0.05 -0.20 0.00 -0.37 0.00 0.00 57.07 56.63 3fct s TYR 32 Cb 0.13 -0.01 -0.06 0.00 -0.40 0.00 0.00 41.96 41.62 3fct s TYR 32 CO 0.63 -0.22 1.14 -1.58 -1.57 0.00 0.00 175.55 173.95 3fct s TRP 33 N -0.91 2.70 -0.06 2.71 0.23 -1.26 -4.32 118.94 118.03 3fct s TRP 33 Ca -0.10 1.54 0.06 0.00 -2.03 0.00 0.00 56.10 55.57 3fct s TRP 33 Cb -0.06 -3.31 -0.01 0.00 0.03 0.00 0.00 33.47 30.13 3fct s TRP 33 CO 0.01 -1.57 -0.24 1.41 0.96 0.00 0.00 176.95 177.52 3fct s MET 34 N -3.18 2.59 0.47 4.98 -2.45 -0.88 0.10 119.30 120.92 3fct s MET 34 Ca 0.71 -0.89 0.07 0.00 -1.25 0.00 0.00 55.69 54.33 3fct s MET 34 Cb -0.25 -2.19 -0.01 0.00 1.25 0.00 0.00 34.83 33.64 3fct s MET 34 CO 0.28 0.38 0.33 -1.01 1.05 0.00 0.00 175.02 176.05 3fct s HIS 35 N -0.15 2.25 -0.04 4.11 0.09 0.13 -1.80 115.29 119.89 3fct s HIS 35 Ca -0.04 -0.66 -0.01 0.00 -0.00 0.00 0.00 55.06 54.35 3fct s HIS 35 Cb -0.14 -2.01 0.03 0.00 -0.00 0.00 0.00 32.58 30.47 3fct s HIS 35 CO 0.04 -0.17 0.07 -1.58 -0.00 0.00 0.00 174.74 173.10 3fct s TRP 36 N -2.63 -0.04 0.03 1.40 0.52 -1.20 -1.86 118.94 115.16 3fct s TRP 36 Ca 0.40 0.25 0.08 0.00 0.02 0.00 0.00 56.10 56.85 3fct s TRP 36 Cb -0.01 -0.18 -0.02 0.00 -1.15 0.00 0.00 33.47 32.11 3fct s TRP 36 CO 0.23 -0.11 -0.23 0.08 0.02 0.00 0.00 176.95 176.94 3fct s VAL 37 N 1.07 1.83 -0.13 4.03 1.01 0.82 -1.10 120.40 127.94 3fct s VAL 37 Ca -0.09 -1.22 -0.02 0.00 0.00 0.00 0.00 61.98 60.65 3fct s VAL 37 Cb -0.12 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 3fct s VAL 37 CO -0.04 0.30 -0.05 -0.75 0.00 0.00 0.00 175.10 174.56 3fct s LYS 38 N -1.09 3.45 -0.07 2.72 2.20 -0.11 -0.08 119.74 126.77 3fct s LYS 38 Ca 0.09 -0.54 0.00 0.00 -0.36 0.00 0.00 55.97 55.16 3fct s LYS 38 Cb -0.09 -2.82 0.02 0.00 -1.51 0.00 0.00 37.83 33.43 3fct s LYS 38 CO 0.01 0.33 -0.05 -1.14 -0.36 0.00 0.00 175.35 174.15 3fct s GLN 39 N 0.10 0.99 0.17 4.03 0.74 0.88 -1.90 119.66 124.67 3fct s GLN 39 Ca -0.02 -0.11 0.08 0.00 0.05 0.00 0.00 55.36 55.37 3fct s GLN 39 Cb -0.14 -1.07 -0.04 0.00 1.10 0.00 0.00 33.01 32.86 3fct s GLN 39 CO 0.03 -0.16 -0.08 1.03 -0.55 0.00 0.00 175.29 175.56 3fct s ARG 40 N 1.32 2.14 0.26 1.67 0.52 -1.26 -0.70 118.95 122.89 3fct s ARG 40 Ca -0.04 -1.21 -0.30 0.00 -0.52 0.00 0.00 55.73 53.65 3fct s ARG 40 Cb -0.14 -2.21 -0.13 0.00 0.52 0.00 0.00 34.95 32.99 3fct s ARG 40 CO -0.02 0.45 1.30 -2.30 0.02 0.00 0.00 175.30 174.74 3fct n PRO 41 N 0.07 1.88 -4.14 3.54 -0.02 -1.26 -1.77 135.00 133.29 3fct n PRO 41 Ca -0.11 0.66 -0.29 0.00 -2.02 0.00 0.00 63.50 61.74 3fct n PRO 41 Cb 0.55 -2.25 -0.05 0.00 -0.02 0.00 0.00 33.50 31.73 3fct n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fct n GLY 42 N 1.69 -0.23 3.07 -1.23 0.00 -1.26 -4.93 105.19 102.32 3fct n GLY 42 Ca 0.10 0.15 -0.09 0.00 0.00 0.00 0.00 46.02 46.18 3fct n GLY 42 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3fct s ARG 43 N -6.91 0.50 1.21 1.61 6.06 -0.73 -5.16 118.95 115.53 3fct s ARG 43 Ca 0.14 -0.71 -0.19 0.00 -2.50 0.00 0.00 55.73 52.47 3fct s ARG 43 Cb -0.08 0.19 0.29 0.00 0.06 0.00 0.00 34.95 35.41 3fct s ARG 43 CO 0.94 -0.11 1.09 0.20 -2.50 0.00 0.00 175.30 174.91 3fct s GLY 44 N -1.92 1.56 0.16 8.12 0.00 -1.26 -4.61 107.32 109.37 3fct s GLY 44 Ca -0.08 -0.86 -0.05 0.00 0.00 0.00 0.00 44.72 43.72 3fct s GLY 44 CO -0.03 0.01 0.41 1.08 0.00 0.00 0.00 173.10 174.57 3fct s LEU 45 N -7.00 4.24 -0.05 0.66 2.01 -1.26 -4.37 118.68 112.91 3fct s LEU 45 Ca 0.70 0.65 0.01 0.00 0.01 0.00 0.00 54.13 55.50 3fct s LEU 45 Cb -0.11 -3.38 0.02 0.00 0.01 0.00 0.00 46.19 42.73 3fct s LEU 45 CO 0.57 0.02 -0.06 -1.61 1.01 0.00 0.00 176.35 176.28 3fct s GLU 46 N -2.73 1.02 -0.11 1.70 2.02 -0.80 -4.98 118.70 114.82 3fct s GLU 46 Ca 0.42 -0.16 -0.27 0.00 0.02 0.00 0.00 54.97 54.99 3fct s GLU 46 Cb -0.12 -1.00 -0.02 0.00 0.10 0.00 0.00 34.13 33.09 3fct s GLU 46 CO 0.24 -0.09 0.87 -0.46 0.02 0.00 0.00 175.26 175.85 3fct s TRP 47 N 0.99 3.51 -0.08 1.61 -0.00 -1.26 -0.93 118.94 122.78 3fct s TRP 47 Ca -0.10 1.41 0.01 0.00 -0.00 0.00 0.00 56.10 57.42 3fct s TRP 47 Cb -0.14 -3.04 -0.25 0.00 -0.00 0.00 0.00 33.47 30.04 3fct s TRP 47 CO -0.00 -0.14 0.54 0.82 -0.00 0.00 0.00 176.95 178.17 3fct h ILE 48 N 5.03 0.77 0.00 5.86 2.04 -1.50 -3.42 117.51 126.29 3fct h ILE 48 Ca -0.34 -2.53 0.00 0.00 1.00 0.00 0.00 64.86 63.00 3fct h ILE 48 Cb 1.16 2.51 0.00 0.00 -0.74 0.00 0.00 36.82 39.75 3fct h ILE 48 CO 0.81 0.74 0.00 0.61 0.00 0.00 0.00 178.15 180.32 3fct n GLY 49 N 1.80 1.96 3.47 5.37 0.00 -1.26 -0.07 105.19 116.47 3fct n GLY 49 Ca -0.25 -1.38 -0.22 0.00 0.00 0.00 0.00 46.02 44.18 3fct n GLY 49 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3fct s MET 50 N -1.93 1.70 -0.02 1.61 0.23 0.12 -3.26 119.30 117.75 3fct s MET 50 Ca 0.00 -1.96 -0.07 0.00 -1.03 0.00 0.00 55.69 52.63 3fct s MET 50 Cb 0.00 -0.90 0.01 0.00 -1.53 0.00 0.00 34.83 32.40 3fct s MET 50 CO 0.00 -0.21 0.15 -1.50 -2.03 0.00 0.00 175.02 171.44 3fct s ILE 51 N -3.25 0.06 -0.56 3.16 2.07 -0.74 -1.16 121.20 120.78 3fct s ILE 51 Ca 0.35 -0.50 -0.19 0.00 -1.41 0.00 0.00 60.65 58.90 3fct s ILE 51 Cb 0.08 -0.39 0.08 0.00 0.13 0.00 0.00 42.46 42.37 3fct s ILE 51 CO 0.15 -0.27 0.68 -0.62 -1.91 0.00 0.00 174.94 172.97 3fct s ASP 52 N -0.98 6.20 0.00 4.50 -1.08 0.12 -2.08 116.67 123.35 3fct s ASP 52 Ca -0.11 -1.19 0.00 0.00 -0.52 0.00 0.00 52.55 50.73 3fct s ASP 52 Cb -0.06 -2.30 0.00 0.00 -1.46 0.00 0.00 42.92 39.10 3fct s ASP 52 CO 0.01 -1.03 0.74 -2.65 0.52 0.00 0.00 175.17 172.76 3fct n PRO 53 N 6.32 0.00 -0.08 4.34 -0.02 -1.26 -0.88 135.00 143.42 3fct n PRO 53 Ca -0.08 0.27 -0.17 0.00 -2.02 0.00 0.00 63.50 61.50 3fct n PRO 53 Cb 0.44 -1.54 -0.06 0.00 -0.02 0.00 0.00 33.50 32.32 3fct n PRO 53 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3fct n ASN 54 N -1.24 1.44 0.04 2.55 2.85 -1.26 -4.61 115.26 115.03 3fct n ASN 54 Ca 0.00 0.24 -0.13 0.00 -0.11 0.00 0.00 54.58 54.59 3fct n ASN 54 Cb 0.04 -0.58 -0.14 0.00 1.24 0.00 0.00 39.78 40.35 3fct n ASN 54 CO 0.00 0.00 0.00 -1.28 -2.11 0.00 0.00 177.26 173.87 3fct h SER 55 N -0.69 0.21 0.00 1.20 0.87 -1.88 -3.48 113.55 109.77 3fct h SER 55 Ca -0.37 -0.30 0.00 0.00 -1.23 0.00 0.00 61.79 59.90 3fct h SER 55 Cb 1.24 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 3fct h SER 55 CO -0.22 1.25 0.00 0.61 -0.53 0.00 0.00 176.83 177.93 3fct n GLY 56 N 1.57 1.37 3.58 5.77 0.00 -0.05 -5.04 105.19 112.38 3fct n GLY 56 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 3fct n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fct n GLY 57 N -1.75 -0.36 3.02 -0.02 0.00 -1.26 -4.62 105.19 100.21 3fct n GLY 57 Ca 0.00 0.24 -0.12 0.00 0.00 0.00 0.00 46.02 46.14 3fct n GLY 57 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3fct s THR 58 N -1.17 0.03 -0.01 2.61 -1.32 -1.26 0.13 115.64 114.65 3fct s THR 58 Ca 0.60 -0.28 0.03 0.00 -1.21 0.00 0.00 61.69 60.83 3fct s THR 58 Cb -0.64 -0.25 -0.01 0.00 -1.51 0.00 0.00 72.50 70.09 3fct s THR 58 CO 0.59 -0.16 -0.09 -0.75 -2.21 0.00 0.00 174.62 172.00 3fct s LYS 59 N -0.49 0.78 0.22 7.08 2.20 -0.31 -5.00 119.74 124.22 3fct s LYS 59 Ca -0.06 -0.33 0.11 0.00 -0.36 0.00 0.00 55.97 55.33 3fct s LYS 59 Cb -0.04 -0.75 -0.05 0.00 -1.51 0.00 0.00 37.83 35.49 3fct s LYS 59 CO 0.00 0.19 -0.21 0.71 -0.36 0.00 0.00 175.35 175.69 3fct s TYR 60 N -0.18 2.19 -0.42 4.03 1.51 -1.26 0.11 117.35 123.32 3fct s TYR 60 Ca 0.03 -0.38 -0.28 0.00 -1.01 0.00 0.00 57.07 55.44 3fct s TYR 60 Cb -0.04 -1.03 0.02 0.00 -0.11 0.00 0.00 41.96 40.80 3fct s TYR 60 CO -0.00 0.55 1.04 1.21 -1.11 0.00 0.00 175.55 177.24 3fct s ASN 61 N -3.02 6.67 0.44 2.29 3.84 0.91 -4.88 114.94 121.19 3fct s ASN 61 Ca 0.23 0.53 0.26 0.00 0.21 0.00 0.00 52.86 54.09 3fct s ASN 61 Cb -0.06 -2.51 0.88 0.00 -0.55 0.00 0.00 41.25 39.00 3fct s ASN 61 CO 0.11 -1.06 1.03 1.21 -2.79 0.00 0.00 177.10 175.60 3fct n GLU 62 N 7.32 0.01 0.15 0.43 4.07 -1.26 0.85 120.64 132.20 3fct n GLU 62 Ca 0.10 0.78 0.04 0.00 -0.06 0.00 0.00 57.16 58.02 3fct n GLU 62 Cb 0.48 -1.90 0.04 0.00 -0.06 0.00 0.00 31.44 30.00 3fct n GLU 62 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 3fct h LYS 63 N 0.00 0.00 -0.42 5.31 3.64 -1.93 -3.28 116.57 119.89 3fct h LYS 63 Ca 0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.86 3fct h LYS 63 Cb 2.41 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.23 3fct h LYS 63 CO -0.01 0.43 0.00 1.19 -2.27 0.00 0.00 179.45 178.80 3fct n PHE 64 N -3.20 1.01 0.24 1.91 3.01 0.25 -4.60 117.46 116.07 3fct n PHE 64 Ca 0.02 -0.67 0.08 0.00 1.01 0.00 0.00 57.45 57.88 3fct n PHE 64 Cb 0.71 -0.21 0.59 0.00 -0.01 0.00 0.00 39.48 40.56 3fct n PHE 64 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 3fct h LYS 65 N 2.67 0.00 0.00 -1.08 1.63 -1.60 -2.30 116.57 115.90 3fct h LYS 65 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3fct h LYS 65 Cb 1.25 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 3fct h LYS 65 CO 0.17 0.14 -1.29 0.43 -3.45 0.00 0.00 179.45 175.45 3fct n SER 66 N -4.16 0.57 -0.04 4.20 7.64 -1.26 -4.49 113.62 116.07 3fct n SER 66 Ca -0.02 0.16 -0.01 0.00 1.01 0.00 0.00 58.87 60.01 3fct n SER 66 Cb 0.22 0.94 -0.11 0.00 -1.01 0.00 0.00 64.21 64.25 3fct n SER 66 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3fct n LYS 67 N -2.46 1.23 -4.02 1.43 4.81 -1.18 -4.87 118.16 113.10 3fct n LYS 67 Ca -0.01 -0.06 -0.32 0.00 -0.87 0.00 0.00 58.31 57.05 3fct n LYS 67 Cb 0.54 -1.35 -0.06 0.00 0.02 0.00 0.00 35.03 34.19 3fct n LYS 67 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3fct s ALA 68 N -2.61 3.72 -0.16 3.14 0.00 -0.87 -1.82 121.76 123.16 3fct s ALA 68 Ca -0.06 -0.89 -0.04 0.00 0.00 0.00 0.00 51.96 50.97 3fct s ALA 68 Cb 0.06 -1.63 0.07 0.00 0.00 0.00 0.00 23.12 21.62 3fct s ALA 68 CO 0.57 0.74 0.19 0.99 0.00 0.00 0.00 175.76 178.26 3fct s THR 69 N -1.33 -0.29 -0.04 0.00 2.01 -0.50 -4.80 115.64 110.70 3fct s THR 69 Ca 0.28 0.05 -0.11 0.00 0.31 0.00 0.00 61.69 62.21 3fct s THR 69 Cb -0.12 -0.54 -0.05 0.00 0.01 0.00 0.00 72.50 71.80 3fct s THR 69 CO 0.20 -0.09 0.30 -0.76 -0.69 0.00 0.00 174.62 173.59 3fct s LEU 70 N 2.31 4.43 0.35 4.42 1.43 -1.26 -1.88 118.68 128.48 3fct s LEU 70 Ca 0.05 0.75 -0.10 0.00 -1.03 0.00 0.00 54.13 53.80 3fct s LEU 70 Cb -0.14 -2.44 0.02 0.00 0.03 0.00 0.00 46.19 43.66 3fct s LEU 70 CO -0.10 0.34 0.61 0.42 0.23 0.00 0.00 176.35 177.85 3fct s THR 71 N -1.10 0.00 0.22 5.49 -4.23 -0.60 -5.02 115.64 110.40 3fct s THR 71 Ca 0.22 -1.31 -0.01 0.00 -1.18 0.00 0.00 61.69 59.41 3fct s THR 71 Cb -0.15 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 71.04 3fct s THR 71 CO 0.11 0.00 0.30 1.33 -0.54 0.00 0.00 174.62 175.82 3fct n VAL 72 N -0.53 0.00 -3.17 2.29 0.24 -1.26 -0.82 118.33 115.08 3fct n VAL 72 Ca -0.03 -1.16 0.02 0.00 -2.04 0.00 0.00 64.34 61.13 3fct n VAL 72 Cb 0.61 0.70 -0.01 0.00 -1.47 0.00 0.00 33.84 33.67 3fct n VAL 72 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3fct s ASP 73 N -2.38 -1.48 0.24 -1.34 -1.08 -0.71 -4.92 116.67 105.00 3fct s ASP 73 Ca 0.19 -0.41 -0.07 0.00 -0.52 0.00 0.00 52.55 51.74 3fct s ASP 73 Cb -0.01 1.90 0.43 0.00 -1.46 0.00 0.00 42.92 43.78 3fct s ASP 73 CO 0.14 -0.20 1.65 0.11 0.52 0.00 0.00 175.17 177.39 3fct h LYS 74 N 7.25 0.15 -1.17 4.34 6.56 -1.86 0.21 116.57 132.05 3fct h LYS 74 Ca 0.02 -0.01 0.33 0.00 -1.06 0.00 0.00 60.65 59.93 3fct h LYS 74 Cb 1.19 -0.03 -0.08 0.00 -0.57 0.00 0.00 32.23 32.73 3fct h LYS 74 CO 0.10 0.10 0.79 -1.35 -2.06 0.00 0.00 179.45 177.03 3fct h PRO 75 N 0.15 0.19 -0.08 3.15 0.11 -1.97 0.19 132.00 133.74 3fct h PRO 75 Ca 0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.50 3fct h PRO 75 Cb 0.71 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.77 3fct h PRO 75 CO -0.60 0.12 0.00 -1.13 -0.21 0.00 0.00 178.00 176.18 3fct n SER 76 N -4.46 1.97 -0.93 -2.05 3.41 -0.23 -4.97 113.62 106.36 3fct n SER 76 Ca 0.28 -1.54 -0.09 0.00 -0.26 0.00 0.00 58.87 57.26 3fct n SER 76 Cb 1.13 -0.05 -0.04 0.00 -0.26 0.00 0.00 64.21 64.99 3fct n SER 76 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3fct n ASN 77 N 0.36 -3.42 -4.79 4.04 5.03 0.57 -4.65 115.26 112.41 3fct n ASN 77 Ca 0.06 0.21 -0.37 0.00 0.87 0.00 0.00 54.58 55.35 3fct n ASN 77 Cb 0.25 -2.87 -0.06 0.00 -1.02 0.00 0.00 39.78 36.08 3fct n ASN 77 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3fct s THR 78 N -1.60 5.19 0.14 3.41 2.01 -1.17 -2.08 115.64 121.53 3fct s THR 78 Ca 0.00 0.70 0.03 0.00 0.31 0.00 0.00 61.69 62.72 3fct s THR 78 Cb 0.00 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 3fct s THR 78 CO 0.00 0.48 0.23 0.00 -0.69 0.00 0.00 174.62 174.64 3fct s ALA 79 N -0.32 3.86 -0.00 7.40 0.00 -0.08 -1.74 121.76 130.88 3fct s ALA 79 Ca 0.21 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 51.13 3fct s ALA 79 Cb -0.15 -1.67 -0.00 0.00 0.00 0.00 0.00 23.12 21.30 3fct s ALA 79 CO 0.09 0.59 -0.04 0.71 0.00 0.00 0.00 175.76 177.11 3fct s TYR 80 N -1.69 0.35 -0.13 0.00 2.02 -0.00 -0.38 117.35 117.52 3fct s TYR 80 Ca 0.33 -0.09 -0.00 0.00 -0.37 0.00 0.00 57.07 56.94 3fct s TYR 80 Cb -0.11 -0.22 0.03 0.00 -0.40 0.00 0.00 41.96 41.25 3fct s TYR 80 CO 0.27 -0.01 -0.08 1.41 -1.57 0.00 0.00 175.55 175.56 3fct s MET 81 N -0.18 1.65 -0.09 -0.62 -2.45 -0.01 -1.55 119.30 116.04 3fct s MET 81 Ca 0.01 -0.38 -0.01 0.00 -1.25 0.00 0.00 55.69 54.06 3fct s MET 81 Cb -0.02 -1.79 -0.03 0.00 1.25 0.00 0.00 34.83 34.24 3fct s MET 81 CO -0.00 -0.30 -0.03 -1.14 1.05 0.00 0.00 175.02 174.60 3fct s GLN 82 N 1.65 3.01 0.01 4.11 0.74 -0.79 0.05 119.66 128.45 3fct s GLN 82 Ca 0.04 -0.48 0.08 0.00 0.05 0.00 0.00 55.36 55.05 3fct s GLN 82 Cb -0.13 -2.74 -0.03 0.00 1.10 0.00 0.00 33.01 31.21 3fct s GLN 82 CO -0.09 0.61 -0.23 -0.51 -0.55 0.00 0.00 175.29 174.53 3fct s LEU 83 N -0.65 2.29 0.45 3.68 1.43 0.10 -1.41 118.68 124.58 3fct s LEU 83 Ca 0.10 -0.47 0.05 0.00 -1.03 0.00 0.00 54.13 52.78 3fct s LEU 83 Cb -0.12 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 3fct s LEU 83 CO 0.02 0.29 0.06 -0.94 0.23 0.00 0.00 176.35 176.01 3fct s SER 84 N -1.01 4.11 -0.55 2.29 1.04 -0.75 -1.70 113.70 117.13 3fct s SER 84 Ca 0.12 -1.41 -0.02 0.00 0.48 0.00 0.00 55.95 55.12 3fct s SER 84 Cb -0.10 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.98 3fct s SER 84 CO 0.01 -0.65 0.04 -1.20 0.98 0.00 0.00 173.24 172.43 3fct n SER 85 N -1.17 0.05 -4.70 7.02 7.64 -0.90 -4.77 113.62 116.80 3fct n SER 85 Ca -0.09 -0.47 -0.40 0.00 1.01 0.00 0.00 58.87 58.92 3fct n SER 85 Cb 0.66 -0.58 0.02 0.00 -1.01 0.00 0.00 64.21 63.31 3fct n SER 85 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3fct n LEU 86 N -2.33 4.27 -4.26 -3.43 4.77 -0.92 -4.54 117.00 110.55 3fct n LEU 86 Ca -0.11 1.05 -0.14 0.00 -0.03 0.00 0.00 56.01 56.78 3fct n LEU 86 Cb 0.25 -1.50 -0.10 0.00 -2.33 0.00 0.00 43.42 39.73 3fct n LEU 86 CO 0.30 -0.76 -0.26 0.42 -1.33 0.00 0.00 177.39 175.76 3fct s THR 87 N -1.25 0.37 -0.38 -5.08 -4.23 -1.26 -0.55 115.64 103.25 3fct s THR 87 Ca 0.64 -1.99 0.07 0.00 -1.18 0.00 0.00 61.69 59.23 3fct s THR 87 Cb -0.48 -2.48 0.07 0.00 1.34 0.00 0.00 72.50 70.95 3fct s THR 87 CO 0.55 -0.10 1.10 -1.54 -0.54 0.00 0.00 174.62 174.10 3fct n SER 88 N -0.35 0.19 0.15 3.99 3.41 -1.26 0.11 113.62 119.86 3fct n SER 88 Ca -0.01 0.47 0.02 0.00 -0.26 0.00 0.00 58.87 59.09 3fct n SER 88 Cb 0.66 -0.46 0.15 0.00 -0.26 0.00 0.00 64.21 64.30 3fct n SER 88 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3fct h GLU 89 N 0.00 0.00 -0.00 4.33 4.81 -1.94 -2.85 114.58 118.92 3fct h GLU 89 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3fct h GLU 89 Cb 0.37 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.75 3fct h GLU 89 CO 0.00 0.54 -0.14 -0.25 -0.73 0.00 0.00 179.01 178.42 3fct n ASP 90 N -3.43 0.23 -4.71 1.04 8.00 0.12 -4.82 116.55 112.98 3fct n ASP 90 Ca 0.00 0.02 -0.42 0.00 0.71 0.00 0.00 54.79 55.10 3fct n ASP 90 Cb 0.66 -0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.53 3fct n ASP 90 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3fct s SER 91 N -2.84 6.47 0.00 -2.24 0.01 -1.08 -4.86 113.70 109.16 3fct s SER 91 Ca 0.18 2.73 0.00 0.00 1.31 0.00 0.00 55.95 60.17 3fct s SER 91 Cb 0.19 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.84 3fct s SER 91 CO 0.55 -0.94 0.00 0.00 0.41 0.00 0.00 173.24 173.26 3fct n ALA 92 N 4.80 0.00 -3.10 1.44 0.00 0.40 -4.87 120.51 119.19 3fct n ALA 92 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.24 3fct n ALA 92 Cb 0.38 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.70 3fct n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3fct s VAL 93 N -2.35 4.20 -0.10 0.00 1.01 0.12 0.44 120.40 123.73 3fct s VAL 93 Ca 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 61.98 61.72 3fct s VAL 93 Cb 0.00 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 3fct s VAL 93 CO 0.00 0.36 0.08 -0.31 0.00 0.00 0.00 175.10 175.23 3fct s TYR 94 N 1.49 3.40 0.12 5.22 1.51 -0.78 -0.08 117.35 128.23 3fct s TYR 94 Ca 0.06 0.38 0.07 0.00 -1.01 0.00 0.00 57.07 56.56 3fct s TYR 94 Cb -0.15 -1.87 -0.04 0.00 -0.11 0.00 0.00 41.96 39.80 3fct s TYR 94 CO 0.03 0.62 -0.17 0.71 -1.11 0.00 0.00 175.55 175.63 3fct s TYR 95 N -0.98 1.55 -0.04 2.71 2.02 0.89 -1.37 117.35 122.13 3fct s TYR 95 Ca 0.15 -0.49 0.04 0.00 -0.37 0.00 0.00 57.07 56.40 3fct s TYR 95 Cb -0.12 -0.82 -0.02 0.00 -0.40 0.00 0.00 41.96 40.60 3fct s TYR 95 CO 0.04 0.18 -0.17 0.00 -1.57 0.00 0.00 175.55 174.03 3fct s THR 97 N -0.69 0.31 0.95 0.00 2.01 -0.78 -1.48 115.64 115.96 3fct s THR 97 Ca 0.11 -0.94 -0.11 0.00 0.31 0.00 0.00 61.69 61.05 3fct s THR 97 Cb -0.11 -0.41 0.16 0.00 0.01 0.00 0.00 72.50 72.15 3fct s THR 97 CO 0.00 -0.41 1.09 -0.13 -0.69 0.00 0.00 174.62 174.48 3fct s ARG 98 N -1.43 0.83 0.27 4.92 1.81 -0.92 0.22 118.95 124.64 3fct s ARG 98 Ca -0.12 1.10 -0.08 0.00 -1.72 0.00 0.00 55.73 54.91 3fct s ARG 98 Cb -0.09 -1.74 0.44 0.00 -0.45 0.00 0.00 34.95 33.11 3fct s ARG 98 CO -0.00 -2.62 1.51 -2.13 -0.68 0.00 0.00 175.30 171.38 3fct n ARG 99 N -4.18 -0.09 0.00 3.54 0.63 0.28 -0.31 116.66 116.54 3fct n ARG 99 Ca 0.08 1.51 0.12 0.00 -0.92 0.00 0.00 57.85 58.64 3fct n ARG 99 Cb 0.54 -2.25 0.22 0.00 0.45 0.00 0.00 32.46 31.41 3fct n ARG 99 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3fct n ASP 100 N -5.58 1.06 -2.55 6.15 8.00 -1.26 -4.96 116.55 117.41 3fct n ASP 100 Ca 0.15 -0.84 -0.12 0.00 0.71 0.00 0.00 54.79 54.69 3fct n ASP 100 Cb 0.48 0.33 0.06 0.00 -0.02 0.00 0.00 41.12 41.97 3fct n ASP 100 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3fct n MET 101 N -0.86 -4.56 0.00 -1.24 2.81 0.57 -4.94 117.12 108.90 3fct n MET 101 Ca 0.09 0.55 0.08 0.00 -1.81 0.00 0.00 57.70 56.61 3fct n MET 101 Cb 0.36 -4.69 -0.07 0.00 -0.71 0.00 0.00 33.22 28.12 3fct n MET 101 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3fct n ASP 102 N -2.09 1.12 -3.87 7.83 5.75 -1.26 -4.89 116.55 119.14 3fct n ASP 102 Ca -0.13 -1.06 -0.20 0.00 -0.01 0.00 0.00 54.79 53.39 3fct n ASP 102 Cb 0.59 0.82 -0.16 0.00 -1.03 0.00 0.00 41.12 41.34 3fct n ASP 102 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 3fct s TYR 103 N -2.43 0.66 0.09 2.11 2.02 -1.26 -5.06 117.35 113.49 3fct s TYR 103 Ca 0.09 -0.17 0.08 0.00 -0.37 0.00 0.00 57.07 56.71 3fct s TYR 103 Cb 0.13 -0.63 -0.03 0.00 -0.40 0.00 0.00 41.96 41.03 3fct s TYR 103 CO 0.62 -0.19 -0.21 -1.58 -1.57 0.00 0.00 175.55 172.62 3fct s TRP 104 N 1.03 1.80 0.85 2.71 0.52 -1.26 -2.17 118.94 122.43 3fct s TRP 104 Ca -0.09 -0.41 -0.12 0.00 0.02 0.00 0.00 56.10 55.50 3fct s TRP 104 Cb -0.14 -1.01 0.10 0.00 -1.15 0.00 0.00 33.47 31.28 3fct s TRP 104 CO -0.01 0.18 1.14 0.20 0.02 0.00 0.00 176.95 178.49 3fct s GLY 105 N -1.75 1.59 0.29 0.98 0.00 -0.55 -4.54 107.32 103.34 3fct s GLY 105 Ca 0.07 -0.50 0.07 0.00 0.00 0.00 0.00 44.72 44.36 3fct s GLY 105 CO 0.04 0.00 1.67 0.00 0.00 0.00 0.00 173.10 174.81 3fct h ALA 106 N -1.26 1.07 0.00 3.20 0.00 -1.91 -3.45 119.26 116.90 3fct h ALA 106 Ca -0.48 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 53.97 3fct h ALA 106 Cb 1.32 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3fct h ALA 106 CO 0.63 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.92 3fct n GLY 107 N -0.06 2.77 3.09 0.00 0.00 -1.26 -5.04 105.19 104.70 3fct n GLY 107 Ca -0.02 -1.65 -0.32 0.00 0.00 0.00 0.00 46.02 44.03 3fct n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fct s THR 108 N -1.53 2.07 -0.18 2.61 2.01 -0.47 -4.91 115.64 115.25 3fct s THR 108 Ca 0.00 -1.23 -0.29 0.00 0.31 0.00 0.00 61.69 60.48 3fct s THR 108 Cb 0.00 -2.02 -0.00 0.00 0.01 0.00 0.00 72.50 70.49 3fct s THR 108 CO 0.00 0.28 1.06 -0.89 -0.69 0.00 0.00 174.62 174.39 3fct s THR 109 N 1.22 4.64 -0.19 -0.82 2.01 -1.26 -1.86 115.64 119.38 3fct s THR 109 Ca -0.01 1.96 -0.03 0.00 0.31 0.00 0.00 61.69 63.92 3fct s THR 109 Cb -0.16 -4.26 -0.01 0.00 0.01 0.00 0.00 72.50 68.08 3fct s THR 109 CO -0.09 -0.11 -0.07 -0.69 -0.69 0.00 0.00 174.62 172.96 3fct s VAL 110 N 2.85 3.30 -0.08 3.82 1.01 0.17 -1.44 120.40 130.03 3fct s VAL 110 Ca 0.47 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 61.96 3fct s VAL 110 Cb -0.17 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.74 3fct s VAL 110 CO 0.11 0.46 -0.24 0.42 0.00 0.00 0.00 175.10 175.85 3fct s THR 111 N 1.10 2.04 -0.26 3.92 -4.23 -0.70 -0.45 115.64 117.06 3fct s THR 111 Ca 0.01 -1.03 -0.06 0.00 -1.18 0.00 0.00 61.69 59.43 3fct s THR 111 Cb -0.15 -1.75 -0.01 0.00 1.34 0.00 0.00 72.50 71.94 3fct s THR 111 CO -0.01 0.56 0.05 -0.69 -0.54 0.00 0.00 174.62 173.99 3fct s VAL 112 N 0.13 3.93 0.15 2.29 1.01 -1.26 -0.53 120.40 126.13 3fct s VAL 112 Ca -0.12 -0.50 -0.24 0.00 0.00 0.00 0.00 61.98 61.12 3fct s VAL 112 Cb -0.16 -2.92 0.07 0.00 0.00 0.00 0.00 36.38 33.36 3fct s VAL 112 CO 0.07 0.23 0.69 -0.55 0.00 0.00 0.00 175.10 175.54 3fct s SER 113 N 1.53 -0.46 0.00 3.32 0.15 0.01 -4.45 113.70 113.80 3fct s SER 113 Ca 0.04 -0.13 0.24 0.00 0.70 0.00 0.00 55.95 56.80 3fct s SER 113 Cb -0.16 0.58 0.26 0.00 -1.71 0.00 0.00 66.02 64.99 3fct s SER 113 CO 0.02 -0.97 1.24 -1.54 1.20 0.00 0.00 173.24 173.19 3fct n SER 114 N -0.38 0.91 -4.77 5.45 3.41 -1.26 -3.90 113.62 113.09 3fct n SER 114 Ca -0.13 -0.73 -0.38 0.00 -0.26 0.00 0.00 58.87 57.37 3fct n SER 114 Cb 0.63 0.49 -0.04 0.00 -0.26 0.00 0.00 64.21 65.03 3fct n SER 114 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fct s ALA 115 N -2.86 3.21 0.79 7.33 0.00 -1.26 -5.03 121.76 123.94 3fct s ALA 115 Ca 0.13 0.84 -0.12 0.00 0.00 0.00 0.00 51.96 52.81 3fct s ALA 115 Cb 0.17 -3.32 0.06 0.00 0.00 0.00 0.00 23.12 20.04 3fct s ALA 115 CO 0.71 -0.28 1.13 -1.54 0.00 0.00 0.00 175.76 175.78 3fct s SER 116 N -1.22 4.70 0.60 0.00 1.04 -1.26 -5.03 113.70 112.53 3fct s SER 116 Ca 0.53 1.00 -0.14 0.00 0.48 0.00 0.00 55.95 57.82 3fct s SER 116 Cb -0.28 -1.65 -0.04 0.00 0.10 0.00 0.00 66.02 64.16 3fct s SER 116 CO 0.35 -1.80 1.04 -0.89 0.98 0.00 0.00 173.24 172.92 3fct s THR 117 N -3.40 4.09 -0.25 2.02 2.01 -1.26 -4.82 115.64 114.02 3fct s THR 117 Ca 0.61 0.89 -0.11 0.00 0.31 0.00 0.00 61.69 63.39 3fct s THR 117 Cb -0.12 -3.50 0.09 0.00 0.01 0.00 0.00 72.50 68.99 3fct s THR 117 CO 0.51 -0.68 0.56 -0.75 -0.69 0.00 0.00 174.62 173.58 3fct s LYS 118 N -4.38 0.52 0.47 4.92 2.20 -0.58 -4.94 119.74 117.95 3fct s LYS 118 Ca 0.61 1.17 -0.20 0.00 -0.36 0.00 0.00 55.97 57.19 3fct s LYS 118 Cb -0.14 0.39 -0.09 0.00 -1.51 0.00 0.00 37.83 36.48 3fct s LYS 118 CO 0.41 -0.19 0.99 0.20 -0.36 0.00 0.00 175.35 176.40 3fct s GLY 119 N 2.23 2.39 0.59 5.54 0.00 -1.26 -0.99 107.32 115.82 3fct s GLY 119 Ca -0.07 0.46 -0.17 0.00 0.00 0.00 0.00 44.72 44.94 3fct s GLY 119 CO -0.17 0.76 1.11 2.56 0.00 0.00 0.00 173.10 177.36 3fct s PRO 120 N -3.33 3.16 -0.16 2.90 0.04 -1.26 -4.57 135.00 131.77 3fct s PRO 120 Ca 0.64 1.46 -0.06 0.00 0.04 0.00 0.00 61.00 63.07 3fct s PRO 120 Cb -0.12 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 3fct s PRO 120 CO 0.19 -0.98 0.05 -1.12 0.04 0.00 0.00 177.00 175.18 3fct s SER 121 N -2.23 5.54 -0.20 6.66 0.01 -0.56 -4.92 113.70 118.00 3fct s SER 121 Ca 0.69 0.10 -0.03 0.00 1.31 0.00 0.00 55.95 58.02 3fct s SER 121 Cb -0.21 -1.88 -0.01 0.00 0.21 0.00 0.00 66.02 64.13 3fct s SER 121 CO 0.33 0.22 -0.06 -0.69 0.41 0.00 0.00 173.24 173.45 3fct s VAL 122 N 0.06 3.27 0.01 3.43 1.01 -1.26 -1.77 120.40 125.15 3fct s VAL 122 Ca 0.05 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.56 3fct s VAL 122 Cb -0.12 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 3fct s VAL 122 CO 0.01 0.45 -0.21 -0.36 0.00 0.00 0.00 175.10 174.98 3fct s PHE 123 N 1.27 2.47 0.31 5.22 0.08 -0.26 -4.95 117.98 122.13 3fct s PHE 123 Ca 0.03 -0.32 -0.28 0.00 0.12 0.00 0.00 56.93 56.48 3fct s PHE 123 Cb -0.14 -1.49 -0.09 0.00 -0.57 0.00 0.00 43.02 40.72 3fct s PHE 123 CO -0.03 0.13 1.05 -1.25 -0.10 0.00 0.00 175.22 175.02 3fct s PRO 124 N -1.01 4.53 -0.96 0.24 0.04 -1.26 -0.17 135.00 136.41 3fct s PRO 124 Ca 0.12 1.64 -0.03 0.00 0.04 0.00 0.00 61.00 62.77 3fct s PRO 124 Cb -0.10 -2.99 0.25 0.00 0.04 0.00 0.00 34.50 31.70 3fct s PRO 124 CO 0.02 0.16 0.98 1.28 0.04 0.00 0.00 177.00 179.48 3fct n LEU 125 N 0.82 4.86 -2.70 -3.56 4.32 0.33 -4.85 117.00 116.23 3fct n LEU 125 Ca 0.01 -5.15 -0.36 0.00 -0.02 0.00 0.00 56.01 50.48 3fct n LEU 125 Cb 0.47 -1.18 -0.05 0.00 -1.62 0.00 0.00 43.42 41.04 3fct n LEU 125 CO 0.50 1.58 0.40 0.00 -1.22 0.00 0.00 177.39 178.65 3fct n ALA 126 N 2.09 -2.12 -1.76 -1.18 0.00 -1.26 -2.75 120.51 113.53 3fct n ALA 126 Ca 0.24 0.35 -0.41 0.00 0.00 0.00 0.00 53.44 53.61 3fct n ALA 126 Cb 0.37 -1.06 -0.01 0.00 0.00 0.00 0.00 19.45 18.75 3fct n ALA 126 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3fct n PRO 127 N 1.14 2.69 -2.73 0.00 -0.02 -1.26 -3.50 135.00 131.31 3fct n PRO 127 Ca 0.13 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.56 3fct n PRO 127 Cb 0.03 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 30.82 3fct n PRO 127 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3fct n SER 128 N 1.07 0.00 -2.78 2.55 7.64 -1.22 -3.75 113.62 117.13 3fct n SER 128 Ca 0.04 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.56 3fct n SER 128 Cb 0.38 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.53 3fct n SER 128 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3fct n SER 129 N 0.68 -0.09 0.00 6.43 7.64 -1.23 -3.77 113.62 123.28 3fct n SER 129 Ca 0.00 0.72 0.00 0.00 1.01 0.00 0.00 58.87 60.60 3fct n SER 129 Cb 0.00 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 3fct n SER 129 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 3fct n LYS 130 N 0.90 0.00 -1.57 1.43 2.85 -1.26 -4.51 118.16 115.99 3fct n LYS 130 Ca 0.12 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 57.00 3fct n LYS 130 Cb 0.06 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.41 3fct n LYS 130 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 3fct s SER 131 N -4.00 4.79 -0.65 -5.58 0.15 -1.25 -4.92 113.70 102.24 3fct s SER 131 Ca 0.00 1.37 -0.26 0.00 0.70 0.00 0.00 55.95 57.76 3fct s SER 131 Cb 0.00 -2.50 0.04 0.00 -1.71 0.00 0.00 66.02 61.84 3fct s SER 131 CO 0.00 -2.56 1.15 -0.89 1.20 0.00 0.00 173.24 172.13 3fct s THR 132 N 10.86 4.01 0.00 6.45 2.01 -1.25 -4.81 115.64 132.91 3fct s THR 132 Ca 0.99 0.39 0.00 0.00 0.31 0.00 0.00 61.69 63.38 3fct s THR 132 Cb -0.23 -4.77 0.00 0.00 0.01 0.00 0.00 72.50 67.52 3fct s THR 132 CO 0.29 -1.53 0.00 -0.24 -0.69 0.00 0.00 174.62 172.45 3fct n SER 133 N 8.53 0.00 -4.04 3.53 2.88 -1.26 -5.03 113.62 118.22 3fct n SER 133 Ca 0.03 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.32 3fct n SER 133 Cb 0.48 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.78 3fct n SER 133 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3fct s GLY 134 N -0.22 0.82 0.00 0.46 0.00 -1.26 -4.96 107.32 102.16 3fct s GLY 134 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 44.72 44.25 3fct s GLY 134 CO 0.00 0.04 0.00 0.61 0.00 0.00 0.00 173.10 173.75 3fct n GLY 135 N 3.70 0.98 3.36 0.20 0.00 -1.26 -4.95 105.19 107.22 3fct n GLY 135 Ca -0.22 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 3fct n GLY 135 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3fct s THR 136 N 0.00 2.22 0.14 2.61 -1.32 -1.26 -3.38 115.64 114.65 3fct s THR 136 Ca 0.00 -1.39 0.08 0.00 -1.21 0.00 0.00 61.69 59.18 3fct s THR 136 Cb 0.00 -1.88 -0.04 0.00 -1.51 0.00 0.00 72.50 69.07 3fct s THR 136 CO 0.00 0.35 -0.12 0.00 -2.21 0.00 0.00 174.62 172.64 3fct s ALA 137 N -0.83 2.86 0.08 11.08 0.00 0.17 -4.81 121.76 130.30 3fct s ALA 137 Ca 0.12 -1.38 0.09 0.00 0.00 0.00 0.00 51.96 50.79 3fct s ALA 137 Cb -0.10 -0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 3fct s ALA 137 CO 0.03 0.55 -0.23 0.00 0.00 0.00 0.00 175.76 176.11 3fct s ALA 138 N -1.41 2.46 0.39 0.00 0.00 -1.26 -0.76 121.76 121.17 3fct s ALA 138 Ca 0.22 -1.31 -0.12 0.00 0.00 0.00 0.00 51.96 50.75 3fct s ALA 138 Cb -0.10 -0.56 0.05 0.00 0.00 0.00 0.00 23.12 22.51 3fct s ALA 138 CO 0.13 0.56 0.72 -0.48 0.00 0.00 0.00 175.76 176.69 3fct s LEU 139 N -1.65 0.28 0.00 0.00 0.05 -0.84 -3.44 118.68 113.09 3fct s LEU 139 Ca 0.14 -1.28 0.00 0.00 0.05 0.00 0.00 54.13 53.04 3fct s LEU 139 Cb -0.10 2.53 0.00 0.00 -2.05 0.00 0.00 46.19 46.57 3fct s LEU 139 CO 0.05 -1.63 0.00 0.61 -0.55 0.00 0.00 176.35 174.83 3fct n GLY 140 N -0.55 -0.56 2.95 -3.48 0.00 -1.11 -1.04 105.19 101.40 3fct n GLY 140 Ca -0.06 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 45.06 3fct n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fct s LEU 142 N 0.42 4.23 -0.36 0.00 2.96 0.76 -1.25 118.68 125.44 3fct s LEU 142 Ca -0.03 -0.05 -0.08 0.00 -0.22 0.00 0.00 54.13 53.76 3fct s LEU 142 Cb -0.04 -2.29 0.04 0.00 0.50 0.00 0.00 46.19 44.40 3fct s LEU 142 CO -0.02 -0.21 0.14 -0.69 -1.32 0.00 0.00 176.35 174.25 3fct s VAL 143 N 1.94 4.00 0.07 1.68 1.01 0.13 -1.10 120.40 128.14 3fct s VAL 143 Ca 0.11 -1.11 -0.01 0.00 0.00 0.00 0.00 61.98 60.97 3fct s VAL 143 Cb -0.16 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 3fct s VAL 143 CO 0.11 -0.23 -0.02 -1.59 0.00 0.00 0.00 175.10 173.37 3fct s LYS 144 N 1.43 0.70 -0.98 2.72 -2.85 -0.73 -0.56 119.74 119.47 3fct s LYS 144 Ca -0.00 -1.28 -0.03 0.00 -1.00 0.00 0.00 55.97 53.66 3fct s LYS 144 Cb -0.20 0.15 -0.04 0.00 -2.06 0.00 0.00 37.83 35.69 3fct s LYS 144 CO 0.04 -0.12 0.84 -0.25 0.10 0.00 0.00 175.35 175.95 3fct n ASP 145 N 0.05 -4.51 -4.40 0.03 8.00 0.11 -1.50 116.55 114.32 3fct n ASP 145 Ca -0.12 -0.60 -0.22 0.00 0.71 0.00 0.00 54.79 54.56 3fct n ASP 145 Cb 0.61 -4.65 -0.10 0.00 -0.02 0.00 0.00 41.12 36.96 3fct n ASP 145 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3fct s TYR 146 N -3.34 2.02 -0.26 1.24 -0.85 -1.08 -4.41 117.35 110.68 3fct s TYR 146 Ca 0.25 -0.43 -0.19 0.00 -0.52 0.00 0.00 57.07 56.17 3fct s TYR 146 Cb -0.03 -0.93 0.07 0.00 0.38 0.00 0.00 41.96 41.45 3fct s TYR 146 CO 0.65 0.51 0.67 0.12 -1.52 0.00 0.00 175.55 175.98 3fct s PHE 147 N -2.48 -0.89 0.00 -3.49 5.36 -0.16 -1.20 117.98 115.12 3fct s PHE 147 Ca 0.24 1.94 0.00 0.00 -0.96 0.00 0.00 56.93 58.15 3fct s PHE 147 Cb -0.04 0.43 0.00 0.00 -0.34 0.00 0.00 43.02 43.07 3fct s PHE 147 CO 0.10 -0.44 0.00 -0.35 -1.46 0.00 0.00 175.22 173.08 3fct n PRO 148 N 3.56 2.44 -1.73 10.12 -0.04 -1.26 -1.53 135.00 146.56 3fct n PRO 148 Ca -0.17 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.98 3fct n PRO 148 Cb 0.57 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.06 3fct n PRO 148 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3fct s GLU 149 N 1.86 3.24 0.46 0.54 0.41 -1.26 -4.79 118.70 119.15 3fct s GLU 149 Ca 0.00 0.82 0.07 0.00 -0.41 0.00 0.00 54.97 55.45 3fct s GLU 149 Cb 0.00 -2.03 0.07 0.00 -1.78 0.00 0.00 34.13 30.39 3fct s GLU 149 CO 0.00 -0.85 0.58 -0.35 -0.49 0.00 0.00 175.26 174.15 3fct n PRO 150 N -2.94 0.71 -3.78 0.39 -0.04 -1.26 -4.90 135.00 123.18 3fct n PRO 150 Ca 0.07 -2.54 -0.13 0.00 -0.04 0.00 0.00 63.50 60.86 3fct n PRO 150 Cb 0.54 -0.10 -0.13 0.00 -0.04 0.00 0.00 33.50 33.77 3fct n PRO 150 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3fct s VAL 151 N -1.93 -0.01 -0.01 0.52 0.11 -1.26 -4.62 120.40 113.20 3fct s VAL 151 Ca 0.44 0.05 0.02 0.00 -2.93 0.00 0.00 61.98 59.57 3fct s VAL 151 Cb -0.04 -0.29 -0.03 0.00 -1.53 0.00 0.00 36.38 34.49 3fct s VAL 151 CO 0.28 0.02 -0.05 0.42 -3.33 0.00 0.00 175.10 172.44 3fct s THR 152 N 0.46 3.77 -0.01 5.04 -4.23 0.01 -4.95 115.64 115.74 3fct s THR 152 Ca -0.03 -0.69 0.03 0.00 -1.18 0.00 0.00 61.69 59.82 3fct s THR 152 Cb -0.04 -2.64 -0.01 0.00 1.34 0.00 0.00 72.50 71.15 3fct s THR 152 CO -0.02 0.42 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.68 3fct s VAL 153 N -0.99 0.86 0.03 2.29 1.01 -1.26 -0.84 120.40 121.50 3fct s VAL 153 Ca 0.17 -0.46 -0.07 0.00 0.00 0.00 0.00 61.98 61.62 3fct s VAL 153 Cb -0.11 -0.72 -0.00 0.00 0.00 0.00 0.00 36.38 35.54 3fct s VAL 153 CO 0.07 0.24 0.13 -0.94 0.00 0.00 0.00 175.10 174.61 3fct s SER 154 N -0.22 0.11 -0.17 3.32 1.04 -0.72 -4.97 113.70 112.09 3fct s SER 154 Ca 0.04 -0.43 -0.05 0.00 0.48 0.00 0.00 55.95 55.99 3fct s SER 154 Cb -0.05 0.24 -0.03 0.00 0.10 0.00 0.00 66.02 66.29 3fct s SER 154 CO -0.00 -0.50 -0.01 0.26 0.98 0.00 0.00 173.24 173.96 3fct s TRP 155 N -2.42 3.07 -1.24 5.02 0.52 -1.26 0.62 118.94 123.25 3fct s TRP 155 Ca -0.06 -0.26 -0.11 0.00 0.02 0.00 0.00 56.10 55.68 3fct s TRP 155 Cb -0.02 -2.00 -0.01 0.00 -1.15 0.00 0.00 33.47 30.29 3fct s TRP 155 CO -0.03 -0.04 0.68 0.09 0.02 0.00 0.00 176.95 177.67 3fct n ASN 156 N 3.66 -3.26 -4.01 2.95 5.03 0.10 -1.95 115.26 117.79 3fct n ASN 156 Ca -0.17 -0.96 -0.30 0.00 0.87 0.00 0.00 54.58 54.01 3fct n ASN 156 Cb 0.52 -3.50 -0.00 0.00 -1.02 0.00 0.00 39.78 35.78 3fct n ASN 156 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 3fct n SER 157 N -2.85 -3.01 0.00 6.41 7.64 -1.26 -0.34 113.62 120.21 3fct n SER 157 Ca -0.19 -0.91 0.00 0.00 1.01 0.00 0.00 58.87 58.78 3fct n SER 157 Cb 0.63 -3.35 0.00 0.00 -1.01 0.00 0.00 64.21 60.48 3fct n SER 157 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fct n GLY 158 N -1.64 1.91 0.21 0.23 0.00 -0.89 -4.86 105.19 100.14 3fct n GLY 158 Ca -0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.03 3fct n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fct h ALA 159 N 0.00 1.16 -3.02 4.61 0.00 -0.46 -3.42 119.26 118.13 3fct h ALA 159 Ca 0.00 -0.28 -0.66 0.00 0.00 0.00 0.00 54.91 53.97 3fct h ALA 159 Cb 0.00 -0.05 -0.27 0.00 0.00 0.00 0.00 17.79 17.47 3fct h ALA 159 CO 0.00 0.39 -0.70 -1.17 0.00 0.00 0.00 179.25 177.77 3fct s LEU 160 N -7.39 3.13 0.00 0.00 2.96 -0.82 -4.93 118.68 111.63 3fct s LEU 160 Ca -0.01 -0.46 0.00 0.00 -0.22 0.00 0.00 54.13 53.44 3fct s LEU 160 Cb 0.12 -1.77 0.00 0.00 0.50 0.00 0.00 46.19 45.04 3fct s LEU 160 CO 0.67 -0.06 0.00 0.41 -1.32 0.00 0.00 176.35 176.05 3fct n THR 161 N 4.81 0.00 -2.51 3.68 -1.04 -1.26 -4.14 114.28 113.82 3fct n THR 161 Ca -0.17 -0.05 -0.42 0.00 -2.04 0.00 0.00 64.05 61.36 3fct n THR 161 Cb 0.50 0.41 -0.03 0.00 -1.82 0.00 0.00 70.33 69.39 3fct n THR 161 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3fct s SER 162 N -0.81 7.16 -1.31 8.00 0.15 -1.26 -3.50 113.70 122.14 3fct s SER 162 Ca 0.00 1.90 0.00 0.00 0.70 0.00 0.00 55.95 58.55 3fct s SER 162 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 3fct s SER 162 CO 0.00 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.64 3fct n GLY 163 N 3.13 1.30 3.68 9.45 0.00 -1.26 -4.68 105.19 116.80 3fct n GLY 163 Ca 0.08 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.27 3fct n GLY 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fct s VAL 164 N -2.46 5.16 -0.25 1.61 1.01 -1.23 -2.00 120.40 122.24 3fct s VAL 164 Ca 0.00 0.85 0.03 0.00 0.00 0.00 0.00 61.98 62.86 3fct s VAL 164 Cb 0.00 -3.79 0.06 0.00 0.00 0.00 0.00 36.38 32.65 3fct s VAL 164 CO 0.00 0.24 -0.11 -1.00 0.00 0.00 0.00 175.10 174.23 3fct s HIS 165 N 1.30 3.10 -0.45 5.22 3.76 0.23 -4.99 115.29 123.46 3fct s HIS 165 Ca 0.22 -2.19 -0.09 0.00 -0.15 0.00 0.00 55.06 52.85 3fct s HIS 165 Cb -0.15 -1.87 0.11 0.00 1.11 0.00 0.00 32.58 31.78 3fct s HIS 165 CO 0.09 -0.86 0.31 0.99 -0.85 0.00 0.00 174.74 174.42 3fct s THR 166 N 1.16 4.14 0.58 1.30 2.01 -1.26 -0.05 115.64 123.51 3fct s THR 166 Ca -0.08 -1.72 -0.20 0.00 0.31 0.00 0.00 61.69 60.01 3fct s THR 166 Cb -0.19 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 3fct s THR 166 CO -0.06 -0.70 1.31 -0.36 -0.69 0.00 0.00 174.62 174.12 3fct s PHE 167 N 1.36 2.25 0.58 4.92 0.08 -0.81 -4.98 117.98 121.39 3fct s PHE 167 Ca 0.05 1.43 -0.20 0.00 0.12 0.00 0.00 56.93 58.34 3fct s PHE 167 Cb -0.25 -3.71 -0.04 0.00 -0.57 0.00 0.00 43.02 38.45 3fct s PHE 167 CO -0.00 -2.77 1.27 -2.14 -0.10 0.00 0.00 175.22 171.47 3fct s PRO 168 N -3.10 3.01 0.39 0.24 0.02 -1.26 -4.63 135.00 129.67 3fct s PRO 168 Ca 0.76 1.99 -0.24 0.00 0.02 0.00 0.00 61.00 63.53 3fct s PRO 168 Cb -0.38 -2.05 -0.10 0.00 0.02 0.00 0.00 34.50 31.99 3fct s PRO 168 CO 0.43 -1.22 0.99 0.00 -0.33 0.00 0.00 177.00 176.87 3fct s ALA 169 N -1.46 3.10 -0.05 -1.55 0.00 -1.26 -4.84 121.76 115.70 3fct s ALA 169 Ca 0.76 0.57 0.05 0.00 0.00 0.00 0.00 51.96 53.34 3fct s ALA 169 Cb -0.35 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.55 3fct s ALA 169 CO 0.39 -0.03 -0.20 0.14 0.00 0.00 0.00 175.76 176.06 3fct s VAL 170 N -1.79 1.65 -0.29 0.00 -7.23 -0.65 -4.95 120.40 107.14 3fct s VAL 170 Ca 0.57 -0.84 -0.29 0.00 -1.81 0.00 0.00 61.98 59.62 3fct s VAL 170 Cb -0.18 -1.41 -0.00 0.00 0.56 0.00 0.00 36.38 35.35 3fct s VAL 170 CO 0.23 0.47 1.36 -0.22 -0.31 0.00 0.00 175.10 176.63 3fct s LEU 171 N -0.01 3.86 0.93 1.32 2.96 -1.26 -2.25 118.68 124.23 3fct s LEU 171 Ca -0.04 1.25 -0.12 0.00 -0.22 0.00 0.00 54.13 54.99 3fct s LEU 171 Cb -0.12 -3.54 0.15 0.00 0.50 0.00 0.00 46.19 43.17 3fct s LEU 171 CO 0.03 -1.13 1.11 -1.10 -1.32 0.00 0.00 176.35 173.94 3fct s GLN 172 N 4.31 1.00 0.54 1.98 -0.21 0.11 -4.90 119.66 122.49 3fct s GLN 172 Ca 0.59 0.46 0.30 0.00 0.02 0.00 0.00 55.36 56.74 3fct s GLN 172 Cb -0.18 -1.81 1.53 0.00 1.00 0.00 0.00 33.01 33.55 3fct s GLN 172 CO 0.25 -2.33 2.08 0.66 -2.12 0.00 0.00 175.29 173.83 3fct h SER 173 N -1.60 0.00 0.01 5.90 4.64 -1.95 -1.33 113.55 119.22 3fct h SER 173 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3fct h SER 173 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3fct h SER 173 CO 0.59 0.09 0.00 -1.54 -0.87 0.00 0.00 176.83 175.11 3fct n SER 174 N -3.48 0.00 0.00 4.97 3.41 -1.26 -4.81 113.62 112.45 3fct n SER 174 Ca -0.01 -0.62 0.00 0.00 -0.26 0.00 0.00 58.87 57.97 3fct n SER 174 Cb 0.24 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 3fct n SER 174 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fct n GLY 175 N 0.29 0.56 3.64 5.00 0.00 -0.50 -5.02 105.19 109.16 3fct n GLY 175 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 3fct n GLY 175 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fct s LEU 176 N 0.00 3.35 0.51 0.99 1.43 -1.25 -4.88 118.68 118.83 3fct s LEU 176 Ca 0.00 -0.09 -0.06 0.00 -1.03 0.00 0.00 54.13 52.95 3fct s LEU 176 Cb 0.00 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 3fct s LEU 176 CO 0.00 0.27 0.83 -0.31 0.23 0.00 0.00 176.35 177.38 3fct s TYR 177 N -1.06 3.55 -0.08 0.29 2.02 -0.34 0.08 117.35 121.80 3fct s TYR 177 Ca 0.19 0.87 -0.30 0.00 -0.37 0.00 0.00 57.07 57.46 3fct s TYR 177 Cb -0.11 -2.41 0.07 0.00 -0.40 0.00 0.00 41.96 39.12 3fct s TYR 177 CO 0.10 -0.39 0.71 0.45 -1.57 0.00 0.00 175.55 174.84 3fct s SER 178 N -4.14 -0.65 0.04 2.29 0.15 -0.95 0.07 113.70 110.51 3fct s SER 178 Ca 0.49 0.78 -0.28 0.00 0.70 0.00 0.00 55.95 57.64 3fct s SER 178 Cb -0.10 0.62 0.09 0.00 -1.71 0.00 0.00 66.02 64.92 3fct s SER 178 CO 0.46 -0.55 0.90 -1.48 1.20 0.00 0.00 173.24 173.78 3fct s LEU 179 N -1.01 -0.32 0.08 3.45 0.05 0.27 -1.64 118.68 119.57 3fct s LEU 179 Ca -0.09 -0.10 0.09 0.00 0.05 0.00 0.00 54.13 54.08 3fct s LEU 179 Cb -0.01 2.06 -0.03 0.00 -2.05 0.00 0.00 46.19 46.16 3fct s LEU 179 CO 0.08 -0.69 -0.23 -0.44 -0.55 0.00 0.00 176.35 174.52 3fct s SER 180 N -2.60 2.77 -0.14 1.48 0.01 -1.26 0.18 113.70 114.14 3fct s SER 180 Ca 0.07 -0.64 0.01 0.00 1.31 0.00 0.00 55.95 56.70 3fct s SER 180 Cb -0.01 -0.20 0.02 0.00 0.21 0.00 0.00 66.02 66.04 3fct s SER 180 CO -0.06 0.14 -0.16 -0.55 0.41 0.00 0.00 173.24 173.01 3fct s SER 181 N -1.64 2.77 0.29 2.44 0.15 -0.38 -1.92 113.70 115.40 3fct s SER 181 Ca 0.09 -0.52 0.09 0.00 0.70 0.00 0.00 55.95 56.31 3fct s SER 181 Cb -0.10 -1.25 -0.06 0.00 -1.71 0.00 0.00 66.02 62.91 3fct s SER 181 CO 0.04 -0.01 -0.12 0.68 1.20 0.00 0.00 173.24 175.02 3fct s VAL 182 N 1.26 2.06 -0.10 4.45 -7.23 0.92 -1.20 120.40 120.56 3fct s VAL 182 Ca 0.01 -2.24 -0.09 0.00 -1.81 0.00 0.00 61.98 57.85 3fct s VAL 182 Cb -0.14 -2.40 0.03 0.00 0.56 0.00 0.00 36.38 34.43 3fct s VAL 182 CO -0.08 -0.34 0.26 0.54 -0.31 0.00 0.00 175.10 175.17 3fct s VAL 183 N -2.75 -0.00 -0.16 1.32 0.11 -0.21 0.75 120.40 119.46 3fct s VAL 183 Ca 0.29 0.01 -0.05 0.00 -2.93 0.00 0.00 61.98 59.30 3fct s VAL 183 Cb 0.00 -0.37 -0.03 0.00 -1.53 0.00 0.00 36.38 34.45 3fct s VAL 183 CO 0.13 0.00 0.01 0.42 -3.33 0.00 0.00 175.10 172.33 3fct s THR 184 N 0.21 4.30 0.17 5.04 -4.23 -0.85 -1.98 115.64 118.30 3fct s THR 184 Ca -0.01 -0.22 -0.03 0.00 -1.18 0.00 0.00 61.69 60.26 3fct s THR 184 Cb -0.02 -2.90 -0.03 0.00 1.34 0.00 0.00 72.50 70.89 3fct s THR 184 CO -0.00 0.49 0.15 0.68 -0.54 0.00 0.00 174.62 175.41 3fct s VAL 185 N 0.21 0.05 0.09 2.29 -7.23 0.06 -4.69 120.40 111.19 3fct s VAL 185 Ca 0.01 -1.82 -0.31 0.00 -1.81 0.00 0.00 61.98 58.05 3fct s VAL 185 Cb -0.13 -2.20 -0.08 0.00 0.56 0.00 0.00 36.38 34.53 3fct s VAL 185 CO 0.02 -0.23 1.46 -2.84 -0.31 0.00 0.00 175.10 173.20 3fct s PRO 186 N -4.08 4.28 0.57 4.82 0.02 -1.26 0.41 135.00 139.76 3fct s PRO 186 Ca 0.28 2.13 0.30 0.00 0.02 0.00 0.00 61.00 63.74 3fct s PRO 186 Cb 0.06 -3.35 1.63 0.00 0.02 0.00 0.00 34.50 32.86 3fct s PRO 186 CO 0.06 -0.53 1.90 0.66 -0.33 0.00 0.00 177.00 178.75 3fct h SER 187 N 7.23 0.00 0.63 2.53 4.64 -1.87 -0.39 113.55 126.31 3fct h SER 187 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3fct h SER 187 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3fct h SER 187 CO 0.89 0.00 -0.09 -1.54 -0.87 0.00 0.00 176.83 175.22 3fct n SER 188 N -2.72 0.20 0.13 4.97 3.41 -1.26 -3.28 113.62 115.06 3fct n SER 188 Ca -0.02 -0.10 0.10 0.00 -0.26 0.00 0.00 58.87 58.60 3fct n SER 188 Cb 0.25 -0.22 0.03 0.00 -0.26 0.00 0.00 64.21 64.01 3fct n SER 188 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3fct h SER 189 N 0.17 0.00 -3.17 4.04 4.64 -1.45 -3.45 113.55 114.33 3fct h SER 189 Ca 0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 3fct h SER 189 Cb 0.39 0.00 0.22 0.00 -0.31 0.00 0.00 62.40 62.70 3fct h SER 189 CO 0.00 0.08 -0.42 0.18 -0.87 0.00 0.00 176.83 175.80 3fct n LEU 190 N -2.83 -0.61 0.00 5.97 4.77 -1.21 0.79 117.00 123.89 3fct n LEU 190 Ca 0.00 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3fct n LEU 190 Cb 0.58 -1.19 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 3fct n LEU 190 CO 0.39 -3.11 0.00 0.61 -1.33 0.00 0.00 177.39 173.95 3fct n GLY 191 N 1.30 0.32 0.17 -0.72 0.00 -1.26 -3.95 105.19 101.06 3fct n GLY 191 Ca 0.05 -0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 3fct n GLY 191 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3fct h THR 192 N 0.00 1.34 -2.88 2.61 1.35 -1.85 -3.44 112.91 110.04 3fct h THR 192 Ca 0.00 -2.38 -0.64 0.00 -0.55 0.00 0.00 66.41 62.85 3fct h THR 192 Cb 0.00 2.44 -0.07 0.00 -1.73 0.00 0.00 68.15 68.79 3fct h THR 192 CO 0.00 0.72 -0.36 -1.58 -0.25 0.00 0.00 175.52 174.05 3fct s GLN 193 N -3.25 3.75 -0.26 4.72 -0.44 0.24 -5.07 119.66 119.35 3fct s GLN 193 Ca -0.08 0.09 -0.10 0.00 -2.50 0.00 0.00 55.36 52.77 3fct s GLN 193 Cb 0.08 -3.24 -0.05 0.00 -1.64 0.00 0.00 33.01 28.16 3fct s GLN 193 CO 0.90 0.66 0.16 0.95 0.50 0.00 0.00 175.29 178.46 3fct s THR 194 N -0.80 5.18 -0.25 -0.34 -4.23 -1.26 -4.71 115.64 109.22 3fct s THR 194 Ca 0.18 0.12 -0.08 0.00 -1.18 0.00 0.00 61.69 60.73 3fct s THR 194 Cb -0.14 -3.43 -0.03 0.00 1.34 0.00 0.00 72.50 70.24 3fct s THR 194 CO 0.07 0.31 0.08 -0.31 -0.54 0.00 0.00 174.62 174.23 3fct s TYR 195 N 1.40 3.10 -0.09 3.99 2.02 -1.26 -4.93 117.35 121.58 3fct s TYR 195 Ca 0.07 -0.35 0.01 0.00 -0.37 0.00 0.00 57.07 56.43 3fct s TYR 195 Cb -0.15 -2.25 0.02 0.00 -0.40 0.00 0.00 41.96 39.18 3fct s TYR 195 CO 0.07 -0.33 -0.11 0.42 -1.57 0.00 0.00 175.55 174.04 3fct s ILE 196 N 1.61 1.16 -0.13 2.71 1.01 -1.26 -0.20 121.20 126.10 3fct s ILE 196 Ca 0.06 -0.44 -0.14 0.00 0.00 0.00 0.00 60.65 60.13 3fct s ILE 196 Cb -0.15 -1.10 -0.05 0.00 0.01 0.00 0.00 42.46 41.17 3fct s ILE 196 CO 0.05 0.37 0.33 0.00 0.00 0.00 0.00 174.94 175.69 3fct s ASN 198 N 0.26 5.65 -0.15 0.00 -0.87 0.20 -2.26 114.94 117.77 3fct s ASN 198 Ca 0.19 -1.20 -0.06 0.00 -1.57 0.00 0.00 52.86 50.22 3fct s ASN 198 Cb -0.14 -1.99 -0.04 0.00 -0.02 0.00 0.00 41.25 39.06 3fct s ASN 198 CO 0.06 -0.43 0.06 -0.69 -2.57 0.00 0.00 177.10 173.52 3fct s VAL 199 N 1.49 4.76 -0.03 1.60 1.01 0.20 -1.76 120.40 127.66 3fct s VAL 199 Ca 0.02 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 61.98 3fct s VAL 199 Cb -0.21 -3.10 -0.00 0.00 0.00 0.00 0.00 36.38 33.07 3fct s VAL 199 CO 0.05 0.52 -0.16 0.20 0.00 0.00 0.00 175.10 175.71 3fct s ASN 200 N -0.15 1.94 -0.40 3.32 -0.87 -0.02 -0.48 114.94 118.28 3fct s ASN 200 Ca 0.07 -0.31 0.02 0.00 -1.57 0.00 0.00 52.86 51.07 3fct s ASN 200 Cb -0.12 -0.46 0.15 0.00 -0.02 0.00 0.00 41.25 40.81 3fct s ASN 200 CO 0.01 0.15 0.28 -2.28 -2.57 0.00 0.00 177.10 172.69 3fct s HIS 201 N -0.04 1.14 0.30 2.20 2.46 -0.39 -0.81 115.29 120.15 3fct s HIS 201 Ca -0.01 -2.08 0.05 0.00 0.47 0.00 0.00 55.06 53.49 3fct s HIS 201 Cb -0.10 -1.11 0.68 0.00 -0.13 0.00 0.00 32.58 31.93 3fct s HIS 201 CO 0.01 -0.81 1.80 -0.22 -2.47 0.00 0.00 174.74 173.05 3fct h LYS 202 N 6.36 0.81 -0.59 2.88 3.64 -1.82 -1.41 116.57 126.44 3fct h LYS 202 Ca 0.14 -0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.57 3fct h LYS 202 Cb 0.93 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.53 3fct h LYS 202 CO 0.35 0.54 0.40 -1.35 -2.27 0.00 0.00 179.45 177.12 3fct h PRO 203 N 0.84 0.37 -0.34 1.90 0.11 -1.87 -0.14 132.00 132.87 3fct h PRO 203 Ca 0.55 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.64 3fct h PRO 203 Cb 0.76 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.79 3fct h PRO 203 CO -0.34 0.25 0.00 -1.13 -0.21 0.00 0.00 178.00 176.57 3fct n SER 204 N -4.47 3.09 -2.50 -2.05 3.41 -0.75 -4.94 113.62 105.41 3fct n SER 204 Ca 0.10 -1.90 -0.19 0.00 -0.26 0.00 0.00 58.87 56.62 3fct n SER 204 Cb 0.39 -0.22 -0.00 0.00 -0.26 0.00 0.00 64.21 64.11 3fct n SER 204 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3fct n ASN 205 N 1.09 -5.47 -4.82 4.04 5.03 -0.06 -4.88 115.26 110.18 3fct n ASN 205 Ca 0.15 -0.01 -0.38 0.00 0.87 0.00 0.00 54.58 55.22 3fct n ASN 205 Cb 0.50 -4.55 -0.06 0.00 -1.02 0.00 0.00 39.78 34.65 3fct n ASN 205 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3fct s THR 206 N -2.97 5.14 -0.12 3.41 2.01 -0.67 -4.98 115.64 117.46 3fct s THR 206 Ca 0.04 0.72 -0.04 0.00 0.31 0.00 0.00 61.69 62.73 3fct s THR 206 Cb -0.02 -3.67 0.06 0.00 0.01 0.00 0.00 72.50 68.88 3fct s THR 206 CO 0.05 0.54 0.14 -0.75 -0.69 0.00 0.00 174.62 173.92 3fct s LYS 207 N -0.76 0.06 0.08 4.92 2.20 -1.26 -1.26 119.74 123.71 3fct s LYS 207 Ca 0.22 0.32 0.09 0.00 -0.36 0.00 0.00 55.97 56.23 3fct s LYS 207 Cb -0.15 -0.86 -0.03 0.00 -1.51 0.00 0.00 37.83 35.28 3fct s LYS 207 CO 0.11 -0.47 -0.24 0.08 -0.36 0.00 0.00 175.35 174.47 3fct s VAL 208 N 2.25 1.93 -0.07 4.02 1.01 0.37 -5.00 120.40 124.91 3fct s VAL 208 Ca 0.04 -1.48 0.02 0.00 0.00 0.00 0.00 61.98 60.56 3fct s VAL 208 Cb -0.14 -1.70 0.01 0.00 0.00 0.00 0.00 36.38 34.56 3fct s VAL 208 CO -0.07 0.13 -0.12 -1.81 0.00 0.00 0.00 175.10 173.23 3fct s ASP 209 N -1.62 1.82 -0.06 3.32 1.01 -1.26 -0.63 116.67 119.25 3fct s ASP 209 Ca 0.10 -0.30 -0.00 0.00 0.71 0.00 0.00 52.55 53.05 3fct s ASP 209 Cb -0.10 -0.83 0.02 0.00 1.01 0.00 0.00 42.92 43.03 3fct s ASP 209 CO 0.04 0.02 -0.03 -0.75 0.21 0.00 0.00 175.17 174.66 3fct s LYS 210 N 0.76 0.78 0.22 8.23 2.47 -0.96 -4.98 119.74 126.26 3fct s LYS 210 Ca -0.13 -0.02 -0.30 0.00 -1.56 0.00 0.00 55.97 53.96 3fct s LYS 210 Cb -0.16 -0.95 -0.09 0.00 -1.46 0.00 0.00 37.83 35.18 3fct s LYS 210 CO 0.03 -0.19 0.98 0.21 0.16 0.00 0.00 175.35 176.53 3fct s LYS 211 N 1.43 4.78 -0.33 4.03 2.47 -1.26 -2.09 119.74 128.77 3fct s LYS 211 Ca -0.03 1.55 0.01 0.00 -1.56 0.00 0.00 55.97 55.95 3fct s LYS 211 Cb -0.13 -3.28 0.09 0.00 -1.46 0.00 0.00 37.83 33.04 3fct s LYS 211 CO -0.03 0.40 0.04 0.42 0.16 0.00 0.00 175.35 176.34 3fct s ILE 212 N -0.95 2.59 0.07 5.43 -1.09 0.73 -4.88 121.20 123.11 3fct s ILE 212 Ca 0.43 -1.98 0.03 0.00 -2.23 0.00 0.00 60.65 56.90 3fct s ILE 212 Cb -0.27 -2.73 -0.04 0.00 -1.58 0.00 0.00 42.46 37.84 3fct s ILE 212 CO 0.33 -0.42 0.08 0.68 -1.23 0.00 0.00 174.94 174.38 3fct s VAL 213 N 1.05 4.53 -0.15 2.92 -7.23 -1.26 -4.30 120.40 115.96 3fct s VAL 213 Ca 0.04 -0.75 -0.36 0.00 -1.81 0.00 0.00 61.98 59.10 3fct s VAL 213 Cb -0.20 -3.18 -0.13 0.00 0.56 0.00 0.00 36.38 33.43 3fct s VAL 213 CO -0.05 0.14 1.85 -2.65 -0.31 0.00 0.00 175.10 174.08 3fct n PRO 214 N 0.51 1.86 -1.11 4.82 -0.02 -1.26 -4.31 135.00 135.48 3fct n PRO 214 Ca -0.09 0.68 -0.38 0.00 -2.02 0.00 0.00 63.50 61.69 3fct n PRO 214 Cb 0.52 -2.49 -0.03 0.00 -0.02 0.00 0.00 33.50 31.48 3fct n PRO 214 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3fct n LYS 215 N 6.34 0.00 0.00 -0.52 3.00 -1.25 -4.92 118.16 120.81 3fct n LYS 215 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.55 3fct n LYS 215 Cb 0.24 -0.81 0.00 0.00 0.00 0.00 0.00 35.03 34.46 3fct n LYS 215 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85