#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ach s ALA 12 N 0.00 0.43 -0.25 2.89 0.00 -1.26 -4.40 121.76 119.17 3ach s ALA 12 Ca 0.00 0.05 -0.18 0.00 0.00 0.00 0.00 51.96 51.83 3ach s ALA 12 Cb 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 3ach s ALA 12 CO 0.00 -0.02 0.52 0.08 0.00 0.00 0.00 175.76 176.33 3ach s VAL 13 N 0.81 5.08 0.01 0.00 1.01 -0.58 -5.02 120.40 121.70 3ach s VAL 13 Ca -0.09 0.90 0.04 0.00 0.00 0.00 0.00 61.98 62.83 3ach s VAL 13 Cb -0.12 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 3ach s VAL 13 CO -0.01 0.11 -0.13 0.68 0.00 0.00 0.00 175.10 175.75 3ach s VAL 14 N 2.14 1.02 0.10 2.92 -7.23 -1.26 -4.91 120.40 113.17 3ach s VAL 14 Ca 0.22 -0.69 0.02 0.00 -1.81 0.00 0.00 61.98 59.72 3ach s VAL 14 Cb -0.16 -0.88 -0.01 0.00 0.56 0.00 0.00 36.38 35.90 3ach s VAL 14 CO 0.09 0.18 0.09 -1.84 -0.31 0.00 0.00 175.10 173.31 3ach n GLU 15 N 2.48 0.14 -1.32 4.82 0.28 -1.26 -5.12 120.64 120.65 3ach n GLU 15 Ca -0.15 -1.04 -0.31 0.00 -0.16 0.00 0.00 57.16 55.50 3ach n GLU 15 Cb 0.55 0.85 0.09 0.00 1.43 0.00 0.00 31.44 34.36 3ach n GLU 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3ach s ALA 16 N -2.42 2.28 0.39 -1.84 0.00 -1.26 -4.88 121.76 114.03 3ach s ALA 16 Ca 0.12 0.20 -0.25 0.00 0.00 0.00 0.00 51.96 52.03 3ach s ALA 16 Cb 0.01 -3.25 -0.11 0.00 0.00 0.00 0.00 23.12 19.77 3ach s ALA 16 CO 0.09 -1.72 1.09 -2.30 0.00 0.00 0.00 175.76 172.92 3ach n PRO 17 N -3.48 1.54 -4.31 0.00 -0.02 -1.26 -4.98 135.00 122.49 3ach n PRO 17 Ca 0.09 0.55 -0.23 0.00 -2.02 0.00 0.00 63.50 61.88 3ach n PRO 17 Cb 0.53 -2.11 -0.13 0.00 -0.02 0.00 0.00 33.50 31.78 3ach n PRO 17 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3ach s VAL 18 N -1.21 1.60 -1.04 -1.45 -7.23 -1.26 -5.06 120.40 104.75 3ach s VAL 18 Ca 0.61 -1.45 -0.16 0.00 -1.81 0.00 0.00 61.98 59.17 3ach s VAL 18 Cb -0.57 -1.45 0.16 0.00 0.56 0.00 0.00 36.38 35.08 3ach s VAL 18 CO 0.58 -0.05 1.22 -0.70 -0.31 0.00 0.00 175.10 175.83 3ach s GLU 19 N -1.78 3.81 0.69 4.82 2.12 -1.26 -5.00 118.70 122.10 3ach s GLU 19 Ca 0.05 -2.19 -0.12 0.00 0.36 0.00 0.00 54.97 53.07 3ach s GLU 19 Cb -0.10 -4.92 0.01 0.00 0.26 0.00 0.00 34.13 29.38 3ach s GLU 19 CO 0.04 -1.71 1.07 -1.01 -0.54 0.00 0.00 175.26 173.11 3ach s HIS 20 N 1.91 2.87 1.00 5.30 3.76 -1.26 -4.70 115.29 124.17 3ach s HIS 20 Ca 0.35 1.50 -0.12 0.00 -0.15 0.00 0.00 55.06 56.64 3ach s HIS 20 Cb -0.05 -3.00 0.17 0.00 1.11 0.00 0.00 32.58 30.82 3ach s HIS 20 CO -0.06 -1.42 0.94 0.00 -0.85 0.00 0.00 174.74 173.35 3ach n ALA 21 N -2.87 -1.83 -1.69 -1.40 0.00 0.36 -4.90 120.51 108.17 3ach n ALA 21 Ca 0.09 -0.78 -0.43 0.00 0.00 0.00 0.00 53.44 52.32 3ach n ALA 21 Cb 0.53 -2.05 -0.01 0.00 0.00 0.00 0.00 19.45 17.92 3ach n ALA 21 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3ach n PRO 22 N -3.96 2.08 -0.14 0.00 -0.02 -1.26 -4.69 135.00 127.00 3ach n PRO 22 Ca 0.08 0.73 -0.02 0.00 -2.02 0.00 0.00 63.50 62.27 3ach n PRO 22 Cb 0.53 -2.30 0.22 0.00 -0.02 0.00 0.00 33.50 31.93 3ach n PRO 22 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3ach h ILE 23 N 2.49 1.21 -0.42 4.25 6.09 -1.93 0.84 117.51 130.04 3ach h ILE 23 Ca -0.46 -0.67 0.00 0.00 -1.37 0.00 0.00 64.86 62.36 3ach h ILE 23 Cb 1.29 0.53 0.00 0.00 0.47 0.00 0.00 36.82 39.10 3ach h ILE 23 CO 0.62 0.26 0.00 0.61 -3.07 0.00 0.00 178.15 176.58 3ach n GLY 24 N -1.03 0.80 3.20 8.18 0.00 -1.26 -0.59 105.19 114.48 3ach n GLY 24 Ca 0.05 -0.76 -0.26 0.00 0.00 0.00 0.00 46.02 45.05 3ach n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ach s LYS 25 N 0.00 1.49 -0.17 1.61 1.02 -1.26 -4.26 119.74 118.17 3ach s LYS 25 Ca 0.00 -0.73 -0.40 0.00 0.02 0.00 0.00 55.97 54.86 3ach s LYS 25 Cb 0.00 -1.48 -0.16 0.00 -0.52 0.00 0.00 37.83 35.67 3ach s LYS 25 CO 0.00 0.40 1.58 0.00 -0.92 0.00 0.00 175.35 176.41 3ach n ALA 26 N 2.44 -0.68 -3.65 5.17 0.00 -1.23 -3.52 120.51 119.04 3ach n ALA 26 Ca -0.15 0.44 -0.14 0.00 0.00 0.00 0.00 53.44 53.59 3ach n ALA 26 Cb 0.53 -2.14 -0.15 0.00 0.00 0.00 0.00 19.45 17.70 3ach n ALA 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3ach s THR 27 N 2.41 -0.05 -0.06 0.00 2.01 -1.04 -4.92 115.64 114.01 3ach s THR 27 Ca 0.94 0.17 0.03 0.00 0.31 0.00 0.00 61.69 63.14 3ach s THR 27 Cb -1.08 -0.19 0.01 0.00 0.01 0.00 0.00 72.50 71.25 3ach s THR 27 CO 0.61 0.07 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.70 3ach s LEU 28 N 1.01 1.80 0.50 4.42 1.43 -1.26 -3.24 118.68 123.33 3ach s LEU 28 Ca -0.08 -0.34 -0.22 0.00 -1.03 0.00 0.00 54.13 52.46 3ach s LEU 28 Cb -0.10 -0.92 -0.06 0.00 0.03 0.00 0.00 46.19 45.13 3ach s LEU 28 CO -0.05 0.09 1.23 -2.84 0.23 0.00 0.00 176.35 175.01 3ach s PRO 29 N 0.39 3.47 -0.40 1.29 0.02 -1.26 -5.08 135.00 133.43 3ach s PRO 29 Ca -0.11 1.92 -0.19 0.00 0.02 0.00 0.00 61.00 62.64 3ach s PRO 29 Cb -0.14 -2.30 0.01 0.00 0.02 0.00 0.00 34.50 32.09 3ach s PRO 29 CO 0.04 -0.83 0.56 -1.12 -0.33 0.00 0.00 177.00 175.32 3ach s SER 30 N -1.27 6.30 -0.02 2.53 0.01 0.16 -4.85 113.70 116.58 3ach s SER 30 Ca 0.68 -0.28 0.12 0.00 1.31 0.00 0.00 55.95 57.78 3ach s SER 30 Cb -0.32 -2.29 -0.19 0.00 0.21 0.00 0.00 66.02 63.43 3ach s SER 30 CO 0.38 -0.64 0.27 0.35 0.41 0.00 0.00 173.24 174.02 3ach n THR 31 N 5.63 0.00 -1.37 1.44 -2.24 -1.26 -1.03 114.28 115.44 3ach n THR 31 Ca -0.04 -0.28 -0.13 0.00 -2.27 0.00 0.00 64.05 61.33 3ach n THR 31 Cb 0.48 0.23 -0.06 0.00 -2.10 0.00 0.00 70.33 68.88 3ach n THR 31 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3ach n PHE 32 N -1.92 0.00 0.51 4.78 3.72 -1.26 -4.61 117.46 118.67 3ach n PHE 32 Ca -0.02 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.50 3ach n PHE 32 Cb 0.32 -2.77 0.46 0.00 -0.94 0.00 0.00 39.48 36.55 3ach n PHE 32 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3ach n GLU 33 N -1.44 0.18 -0.23 -1.08 -0.58 -1.26 -2.37 120.64 113.86 3ach n GLU 33 Ca -0.13 0.32 0.08 0.00 -0.42 0.00 0.00 57.16 57.01 3ach n GLU 33 Cb 0.57 -1.80 0.23 0.00 -0.57 0.00 0.00 31.44 29.87 3ach n GLU 33 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3ach n ASP 34 N -2.13 2.55 -1.38 1.62 5.68 -1.26 -4.91 116.55 116.71 3ach n ASP 34 Ca 0.04 -1.98 -0.18 0.00 -0.50 0.00 0.00 54.79 52.17 3ach n ASP 34 Cb 0.29 -0.30 -0.08 0.00 -1.14 0.00 0.00 41.12 39.89 3ach n ASP 34 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3ach n SER 35 N 0.90 -5.35 -4.85 -1.12 7.64 -1.00 -5.01 113.62 104.84 3ach n SER 35 Ca 0.16 0.45 -0.22 0.00 1.01 0.00 0.00 58.87 60.27 3ach n SER 35 Cb 0.41 -4.44 -0.04 0.00 -1.01 0.00 0.00 64.21 59.13 3ach n SER 35 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3ach s THR 36 N -2.61 2.57 -2.00 0.44 -4.23 -1.26 -4.46 115.64 104.09 3ach s THR 36 Ca 0.00 -1.41 0.25 0.00 -1.18 0.00 0.00 61.69 59.35 3ach s THR 36 Cb 0.00 -2.99 0.72 0.00 1.34 0.00 0.00 72.50 71.58 3ach s THR 36 CO 0.00 0.00 1.91 0.54 -0.54 0.00 0.00 174.62 176.53 3ach n ARG 37 N -1.49 0.87 -4.14 3.99 1.74 0.29 -4.62 116.66 113.29 3ach n ARG 37 Ca 0.03 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.77 3ach n ARG 37 Cb 0.62 -1.46 -0.02 0.00 -1.02 0.00 0.00 32.46 30.58 3ach n ARG 37 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3ach n GLN 38 N -0.96 -3.36 -0.38 5.56 6.02 -0.93 -1.13 117.38 122.21 3ach n GLN 38 Ca 0.19 0.39 0.00 0.00 -0.01 0.00 0.00 57.00 57.57 3ach n GLN 38 Cb 0.09 -4.98 0.00 0.00 1.02 0.00 0.00 30.24 26.36 3ach n GLN 38 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ach n GLY 39 N -1.57 1.11 3.79 1.08 0.00 0.24 -2.49 105.19 107.35 3ach n GLY 39 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 3ach n GLY 39 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ach s TRP 40 N -2.96 3.85 0.10 1.61 0.52 -0.29 -3.95 118.94 117.81 3ach s TRP 40 Ca 0.00 1.45 -0.15 0.00 0.02 0.00 0.00 56.10 57.42 3ach s TRP 40 Cb 0.00 -2.64 0.03 0.00 -1.15 0.00 0.00 33.47 29.71 3ach s TRP 40 CO 0.00 0.54 0.36 0.00 0.02 0.00 0.00 176.95 177.87 3ach s ALA 41 N -1.06 -0.81 0.38 0.98 0.00 -0.26 -4.84 121.76 116.15 3ach s ALA 41 Ca 0.33 -0.06 -0.28 0.00 0.00 0.00 0.00 51.96 51.94 3ach s ALA 41 Cb -0.21 0.56 -0.11 0.00 0.00 0.00 0.00 23.12 23.35 3ach s ALA 41 CO 0.23 -0.56 1.47 0.91 0.00 0.00 0.00 175.76 177.80 3ach n TRP 42 N 0.02 2.92 -1.72 0.00 5.03 -1.26 -0.69 117.44 121.74 3ach n TRP 42 Ca -0.17 0.46 -0.37 0.00 3.03 0.00 0.00 57.50 60.45 3ach n TRP 42 Cb 0.62 -2.52 0.07 0.00 -1.03 0.00 0.00 31.31 28.45 3ach n TRP 42 CO 0.00 0.00 0.00 -3.47 -0.03 0.00 0.00 177.69 174.19 3ach n ASP 43 N 0.46 2.06 0.31 -0.99 2.03 -0.31 -4.80 116.55 115.31 3ach n ASP 43 Ca 0.02 0.84 0.19 0.00 0.52 0.00 0.00 54.79 56.35 3ach n ASP 43 Cb 0.39 -1.55 1.06 0.00 -0.72 0.00 0.00 41.12 40.29 3ach n ASP 43 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ach h ALA 44 N 0.57 1.28 -0.02 -1.67 0.00 -1.91 -0.77 119.26 116.75 3ach h ALA 44 Ca -0.51 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3ach h ALA 44 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3ach h ALA 44 CO 0.53 -0.03 -0.17 0.25 0.00 0.00 0.00 179.25 179.83 3ach n THR 45 N -3.45 0.00 -1.65 0.00 -2.24 -1.26 -1.52 114.28 104.16 3ach n THR 45 Ca -0.03 -0.30 -0.48 0.00 -2.27 0.00 0.00 64.05 60.98 3ach n THR 45 Cb 0.10 0.96 -0.05 0.00 -2.10 0.00 0.00 70.33 69.24 3ach n THR 45 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3ach n SER 46 N 0.31 2.63 0.25 3.42 2.88 -0.30 -4.84 113.62 117.97 3ach n SER 46 Ca 0.14 1.10 0.12 0.00 -1.33 0.00 0.00 58.87 58.90 3ach n SER 46 Cb 0.45 -1.36 0.62 0.00 -0.75 0.00 0.00 64.21 63.18 3ach n SER 46 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3ach h GLY 47 N 5.34 0.00 -6.79 0.46 0.00 -1.51 -3.41 103.07 97.17 3ach h GLY 47 Ca -0.46 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.26 3ach h GLY 47 CO 0.84 0.00 -0.51 0.14 0.00 0.00 0.00 176.54 177.02 3ach s VAL 48 N -3.91 5.33 -0.03 4.60 1.01 -1.24 -4.87 120.40 121.28 3ach s VAL 48 Ca -0.01 0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.18 3ach s VAL 48 Cb 0.11 -3.46 0.06 0.00 0.00 0.00 0.00 36.38 33.10 3ach s VAL 48 CO 0.60 0.38 0.93 0.00 0.00 0.00 0.00 175.10 177.01 3ach n GLN 49 N 4.02 0.56 -1.75 2.72 1.13 -1.26 -4.75 117.38 118.04 3ach n GLN 49 Ca -0.15 -1.29 -0.30 0.00 -1.94 0.00 0.00 57.00 53.31 3ach n GLN 49 Cb 0.52 -0.77 0.19 0.00 0.11 0.00 0.00 30.24 30.29 3ach n GLN 49 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3ach s SER 50 N -1.22 2.80 0.25 1.08 1.04 -1.26 -4.91 113.70 111.49 3ach s SER 50 Ca 0.07 0.40 -0.30 0.00 0.48 0.00 0.00 55.95 56.60 3ach s SER 50 Cb 0.06 -0.53 -0.11 0.00 0.10 0.00 0.00 66.02 65.55 3ach s SER 50 CO 0.01 -2.94 1.53 0.00 0.98 0.00 0.00 173.24 172.82 3ach s ALA 51 N -3.68 3.71 -0.31 5.32 0.00 -1.26 -4.97 121.76 120.57 3ach s ALA 51 Ca 0.72 1.44 -0.13 0.00 0.00 0.00 0.00 51.96 53.99 3ach s ALA 51 Cb -0.06 -3.61 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 3ach s ALA 51 CO 0.53 -0.85 0.29 -0.51 0.00 0.00 0.00 175.76 175.22 3ach s LEU 52 N -0.16 4.26 0.31 0.00 1.43 -1.26 -4.47 118.68 118.79 3ach s LEU 52 Ca 0.63 -0.10 0.04 0.00 -1.03 0.00 0.00 54.13 53.68 3ach s LEU 52 Cb -0.45 -2.26 -0.06 0.00 0.03 0.00 0.00 46.19 43.45 3ach s LEU 52 CO 0.43 -0.21 0.03 0.42 0.23 0.00 0.00 176.35 177.25 3ach s THR 53 N 1.90 1.32 -0.35 5.49 -4.23 -0.61 -0.49 115.64 118.67 3ach s THR 53 Ca 0.10 -2.03 -0.12 0.00 -1.18 0.00 0.00 61.69 58.47 3ach s THR 53 Cb -0.16 -2.71 -0.00 0.00 1.34 0.00 0.00 72.50 70.97 3ach s THR 53 CO 0.11 -0.08 0.22 -0.63 -0.54 0.00 0.00 174.62 173.69 3ach s ILE 54 N -3.21 4.95 0.18 2.99 -1.09 -1.26 -0.73 121.20 123.02 3ach s ILE 54 Ca 0.34 -0.47 0.09 0.00 -2.23 0.00 0.00 60.65 58.39 3ach s ILE 54 Cb 0.08 -3.61 -0.04 0.00 -1.58 0.00 0.00 42.46 37.30 3ach s ILE 54 CO 0.14 -0.08 -0.19 -0.54 -1.23 0.00 0.00 174.94 173.04 3ach s LYS 55 N 1.65 1.35 0.15 2.79 1.02 -0.29 -4.90 119.74 121.50 3ach s LYS 55 Ca 0.05 -1.46 -0.30 0.00 0.02 0.00 0.00 55.97 54.28 3ach s LYS 55 Cb -0.18 -1.45 -0.08 0.00 -0.52 0.00 0.00 37.83 35.60 3ach s LYS 55 CO 0.08 0.30 1.30 -0.51 -0.92 0.00 0.00 175.35 175.60 3ach s ASP 56 N -2.73 6.93 -0.06 2.83 1.01 -1.26 -0.76 116.67 122.63 3ach s ASP 56 Ca 0.18 2.29 -0.01 0.00 0.71 0.00 0.00 52.55 55.72 3ach s ASP 56 Cb -0.06 -2.60 0.03 0.00 1.01 0.00 0.00 42.92 41.30 3ach s ASP 56 CO 0.08 -0.53 0.01 0.00 0.21 0.00 0.00 175.17 174.94 3ach s ALA 57 N 0.54 0.57 -1.48 5.23 0.00 0.06 -4.87 121.76 121.81 3ach s ALA 57 Ca 0.59 -0.03 -0.10 0.00 0.00 0.00 0.00 51.96 52.42 3ach s ALA 57 Cb -0.35 -0.68 0.06 0.00 0.00 0.00 0.00 23.12 22.15 3ach s ALA 57 CO 0.34 -0.43 0.87 -1.71 0.00 0.00 0.00 175.76 174.84 3ach n ASN 58 N 5.08 -3.56 -1.21 0.00 5.15 -1.26 -1.76 115.26 117.70 3ach n ASN 58 Ca -0.08 -0.81 -0.14 0.00 -0.60 0.00 0.00 54.58 52.95 3ach n ASN 58 Cb 0.50 -3.83 -0.04 0.00 -0.53 0.00 0.00 39.78 35.88 3ach n ASN 58 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3ach n GLU 59 N -4.55 -0.99 -4.06 1.20 1.02 -1.26 -5.01 120.64 106.98 3ach n GLU 59 Ca -0.06 0.87 -0.09 0.00 -0.02 0.00 0.00 57.16 57.86 3ach n GLU 59 Cb 0.57 -5.01 -0.11 0.00 -0.02 0.00 0.00 31.44 26.88 3ach n GLU 59 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3ach s SER 60 N -2.70 0.55 0.18 1.62 0.15 -0.72 -5.13 113.70 107.65 3ach s SER 60 Ca 0.00 -0.76 -0.30 0.00 0.70 0.00 0.00 55.95 55.60 3ach s SER 60 Cb 0.00 0.13 -0.08 0.00 -1.71 0.00 0.00 66.02 64.36 3ach s SER 60 CO 0.00 -0.41 1.05 -0.54 1.20 0.00 0.00 173.24 174.53 3ach s LYS 61 N -2.68 4.66 0.03 5.44 1.02 -1.26 -0.76 119.74 126.18 3ach s LYS 61 Ca -0.03 1.64 0.01 0.00 0.02 0.00 0.00 55.97 57.61 3ach s LYS 61 Cb -0.01 -3.29 -0.02 0.00 -0.52 0.00 0.00 37.83 33.98 3ach s LYS 61 CO -0.05 0.18 -0.04 0.00 -0.92 0.00 0.00 175.35 174.52 3ach s ALA 62 N -0.42 0.25 0.32 5.17 0.00 0.06 -4.56 121.76 122.58 3ach s ALA 62 Ca 0.47 -0.66 -0.26 0.00 0.00 0.00 0.00 51.96 51.50 3ach s ALA 62 Cb -0.28 0.13 -0.10 0.00 0.00 0.00 0.00 23.12 22.87 3ach s ALA 62 CO 0.34 -0.13 0.95 -1.50 0.00 0.00 0.00 175.76 175.41 3ach s ILE 63 N -1.55 4.19 -0.02 0.00 2.07 -0.66 -1.14 121.20 124.08 3ach s ILE 63 Ca -0.13 1.85 -0.15 0.00 -1.41 0.00 0.00 60.65 60.81 3ach s ILE 63 Cb -0.09 -4.04 0.02 0.00 0.13 0.00 0.00 42.46 38.48 3ach s ILE 63 CO -0.01 0.18 0.31 -0.55 -1.91 0.00 0.00 174.94 172.96 3ach s SER 64 N -1.57 -0.20 0.21 4.50 0.15 0.09 -0.85 113.70 116.03 3ach s SER 64 Ca 0.49 0.11 -0.11 0.00 0.70 0.00 0.00 55.95 57.14 3ach s SER 64 Cb -0.19 0.33 -0.01 0.00 -1.71 0.00 0.00 66.02 64.44 3ach s SER 64 CO 0.25 -0.43 0.38 -1.66 1.20 0.00 0.00 173.24 172.97 3ach s TRP 65 N -1.27 0.40 0.02 3.44 -2.14 -0.76 -1.57 118.94 117.06 3ach s TRP 65 Ca -0.13 -0.75 0.01 0.00 2.66 0.00 0.00 56.10 57.89 3ach s TRP 65 Cb -0.05 0.05 -0.04 0.00 -3.10 0.00 0.00 33.47 30.33 3ach s TRP 65 CO 0.04 -0.85 0.05 -1.21 -2.66 0.00 0.00 176.95 172.33 3ach s GLU 66 N -4.00 2.91 -0.18 3.25 0.41 -1.26 -0.91 118.70 118.92 3ach s GLU 66 Ca 0.21 -0.59 -0.16 0.00 -0.41 0.00 0.00 54.97 54.01 3ach s GLU 66 Cb 0.02 -2.76 0.05 0.00 -1.78 0.00 0.00 34.13 29.66 3ach s GLU 66 CO 0.05 0.61 0.47 0.54 -0.49 0.00 0.00 175.26 176.44 3ach s VAL 67 N -1.22 -0.00 -0.22 2.63 0.11 -0.20 -4.91 120.40 116.59 3ach s VAL 67 Ca 0.24 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.28 3ach s VAL 67 Cb -0.12 -0.66 0.06 0.00 -1.53 0.00 0.00 36.38 34.13 3ach s VAL 67 CO 0.15 0.00 0.02 -0.75 -3.33 0.00 0.00 175.10 171.19 3ach s LYS 68 N 0.29 0.94 0.53 1.54 2.20 -1.26 -1.53 119.74 122.45 3ach s LYS 68 Ca -0.00 -0.66 -0.21 0.00 -0.36 0.00 0.00 55.97 54.74 3ach s LYS 68 Cb -0.03 -2.25 -0.05 0.00 -1.51 0.00 0.00 37.83 33.99 3ach s LYS 68 CO 0.00 -0.67 1.23 0.71 -0.36 0.00 0.00 175.35 176.27 3ach s TYR 69 N 1.69 2.53 0.62 4.03 2.02 -0.98 -4.96 117.35 122.31 3ach s TYR 69 Ca -0.01 1.48 -0.18 0.00 -0.37 0.00 0.00 57.07 57.99 3ach s TYR 69 Cb -0.18 -3.53 -0.02 0.00 -0.40 0.00 0.00 41.96 37.83 3ach s TYR 69 CO -0.09 -2.15 1.20 -1.25 -1.57 0.00 0.00 175.55 171.69 3ach s PRO 70 N -3.00 2.80 0.22 -1.71 0.04 -1.26 -4.92 135.00 127.16 3ach s PRO 70 Ca 0.71 1.79 -0.03 0.00 0.04 0.00 0.00 61.00 63.51 3ach s PRO 70 Cb -0.32 -1.91 0.21 0.00 0.04 0.00 0.00 34.50 32.52 3ach s PRO 70 CO 0.37 -1.33 1.62 0.93 0.04 0.00 0.00 177.00 178.63 3ach h GLU 71 N 0.61 0.70 -5.29 4.56 5.08 -1.93 -3.39 114.58 114.92 3ach h GLU 71 Ca -0.50 -0.30 -0.63 0.00 -1.00 0.00 0.00 59.36 56.93 3ach h GLU 71 Cb 1.30 -0.02 -0.14 0.00 0.50 0.00 0.00 28.75 30.38 3ach h GLU 71 CO 0.54 0.90 -0.05 0.08 -1.00 0.00 0.00 179.01 179.47 3ach s VAL 72 N -4.50 5.06 -0.26 3.13 1.01 -1.26 -5.02 120.40 118.56 3ach s VAL 72 Ca -0.09 0.62 -0.16 0.00 0.00 0.00 0.00 61.98 62.35 3ach s VAL 72 Cb 0.13 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 3ach s VAL 72 CO 0.83 -0.04 0.45 -0.54 0.00 0.00 0.00 175.10 175.80 3ach s LYS 73 N 2.33 4.06 0.77 2.72 -0.14 -1.26 -5.05 119.74 123.17 3ach s LYS 73 Ca 0.19 0.20 -0.15 0.00 -1.36 0.00 0.00 55.97 54.85 3ach s LYS 73 Cb -0.16 -3.64 -0.01 0.00 -1.68 0.00 0.00 37.83 32.35 3ach s LYS 73 CO 0.11 -0.28 0.62 -2.30 -0.76 0.00 0.00 175.35 172.73 3ach n PRO 74 N 5.32 0.22 -0.05 -1.68 -0.02 -1.26 -4.93 135.00 132.60 3ach n PRO 74 Ca -0.06 0.12 -0.16 0.00 -2.02 0.00 0.00 63.50 61.38 3ach n PRO 74 Cb 0.50 -1.93 -0.06 0.00 -0.02 0.00 0.00 33.50 31.99 3ach n PRO 74 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3ach h VAL 75 N -0.61 1.28 -3.13 -1.45 2.07 -2.04 -3.41 116.25 108.96 3ach h VAL 75 Ca -0.45 -1.82 -0.54 0.00 0.82 0.00 0.00 66.70 64.70 3ach h VAL 75 Cb 1.33 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 32.91 3ach h VAL 75 CO 0.42 0.58 0.63 -0.62 0.02 0.00 0.00 177.57 178.60 3ach s ASP 76 N -6.98 7.04 0.04 0.57 -1.08 -1.26 -4.90 116.67 110.11 3ach s ASP 76 Ca -0.11 1.98 0.23 0.00 -0.52 0.00 0.00 52.55 54.13 3ach s ASP 76 Cb 0.09 -2.57 0.95 0.00 -1.46 0.00 0.00 42.92 39.93 3ach s ASP 76 CO 0.89 -0.53 1.73 0.61 0.52 0.00 0.00 175.17 178.40 3ach n GLY 77 N 3.30 -1.33 0.50 2.66 0.00 -1.26 -2.18 105.19 106.89 3ach n GLY 77 Ca 0.10 -0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.15 3ach n GLY 77 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3ach n TRP 78 N -1.64 0.00 -0.24 1.61 7.02 -1.26 -4.37 117.44 118.56 3ach n TRP 78 Ca 0.05 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.57 3ach n TRP 78 Cb 0.28 0.00 0.28 0.00 -2.42 0.00 0.00 31.31 29.45 3ach n TRP 78 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3ach h ALA 79 N 3.17 1.58 -0.05 6.99 0.00 -1.82 -1.38 119.26 127.75 3ach h ALA 79 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3ach h ALA 79 Cb 0.64 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3ach h ALA 79 CO 0.00 0.32 0.00 -1.13 0.00 0.00 0.00 179.25 178.44 3ach n SER 80 N -4.47 1.94 -4.77 0.00 3.41 -1.26 -3.42 113.62 105.05 3ach n SER 80 Ca 0.11 -1.66 -0.40 0.00 -0.26 0.00 0.00 58.87 56.67 3ach n SER 80 Cb 0.18 -0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.05 3ach n SER 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ach s ALA 81 N -1.95 3.41 -0.01 7.33 0.00 -0.52 -4.37 121.76 125.65 3ach s ALA 81 Ca 0.35 0.42 -0.35 0.00 0.00 0.00 0.00 51.96 52.39 3ach s ALA 81 Cb 0.20 -3.03 -0.13 0.00 0.00 0.00 0.00 23.12 20.16 3ach s ALA 81 CO 0.32 0.25 1.72 -2.30 0.00 0.00 0.00 175.76 175.75 3ach n PRO 82 N 1.68 1.97 -3.68 0.00 -0.02 -1.25 -2.50 135.00 131.19 3ach n PRO 82 Ca -0.04 0.72 -0.30 0.00 -2.02 0.00 0.00 63.50 61.86 3ach n PRO 82 Cb 0.48 -2.50 -0.15 0.00 -0.02 0.00 0.00 33.50 31.31 3ach n PRO 82 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3ach s ARG 83 N 2.66 0.61 -0.09 -0.52 3.52 -1.26 -1.39 118.95 122.48 3ach s ARG 83 Ca 0.88 -1.00 -0.01 0.00 -0.13 0.00 0.00 55.73 55.47 3ach s ARG 83 Cb -0.75 -1.78 -0.03 0.00 -1.56 0.00 0.00 34.95 30.82 3ach s ARG 83 CO 0.48 -1.01 -0.02 -1.50 -0.81 0.00 0.00 175.30 172.44 3ach s ILE 84 N 1.65 4.12 0.01 4.11 2.07 -0.22 -1.17 121.20 131.77 3ach s ILE 84 Ca 0.10 -0.32 0.02 0.00 -1.41 0.00 0.00 60.65 59.05 3ach s ILE 84 Cb -0.17 -2.73 -0.01 0.00 0.13 0.00 0.00 42.46 39.68 3ach s ILE 84 CO -0.26 0.59 -0.08 -0.32 -1.91 0.00 0.00 174.94 172.97 3ach s MET 85 N -0.75 0.59 -0.70 3.50 -2.45 0.13 -1.10 119.30 118.53 3ach s MET 85 Ca 0.12 -0.39 -0.14 0.00 -1.25 0.00 0.00 55.69 54.02 3ach s MET 85 Cb -0.11 -0.54 0.18 0.00 1.25 0.00 0.00 34.83 35.61 3ach s MET 85 CO 0.02 0.14 0.63 -1.17 1.05 0.00 0.00 175.02 175.69 3ach s LEU 86 N -0.52 6.42 0.13 4.11 2.96 0.34 -1.10 118.68 131.02 3ach s LEU 86 Ca 0.00 -2.34 -0.25 0.00 -0.22 0.00 0.00 54.13 51.32 3ach s LEU 86 Cb -0.05 -2.18 -0.07 0.00 0.50 0.00 0.00 46.19 44.39 3ach s LEU 86 CO 0.00 -0.67 0.77 -0.83 -1.32 0.00 0.00 176.35 174.30 3ach s GLY 87 N 2.61 2.88 -1.56 7.98 0.00 -1.25 -2.08 107.32 115.89 3ach s GLY 87 Ca 0.12 0.33 -0.04 0.00 0.00 0.00 0.00 44.72 45.14 3ach s GLY 87 CO -0.04 0.91 0.46 0.70 0.00 0.00 0.00 173.10 175.13 3ach n ASN 88 N 1.90 -5.97 0.08 1.64 3.02 -0.82 -4.87 115.26 110.24 3ach n ASN 88 Ca -0.05 -0.22 -0.07 0.00 -0.03 0.00 0.00 54.58 54.21 3ach n ASN 88 Cb 0.49 -4.83 0.08 0.00 -0.61 0.00 0.00 39.78 34.91 3ach n ASN 88 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 3ach h VAL 89 N -1.06 1.41 -5.95 2.41 3.04 -0.96 -3.48 116.25 111.66 3ach h VAL 89 Ca -0.51 -2.14 -0.38 0.00 -1.01 0.00 0.00 66.70 62.67 3ach h VAL 89 Cb 1.36 2.11 0.11 0.00 -2.01 0.00 0.00 31.29 32.85 3ach h VAL 89 CO 0.56 0.63 -0.87 0.59 -1.01 0.00 0.00 177.57 177.47 3ach n ASN 90 N -3.82 -3.92 -4.99 3.17 5.03 -0.77 -4.98 115.26 104.97 3ach n ASN 90 Ca -0.03 -0.85 -0.21 0.00 0.87 0.00 0.00 54.58 54.36 3ach n ASN 90 Cb 0.67 -4.17 0.04 0.00 -1.02 0.00 0.00 39.78 35.30 3ach n ASN 90 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 3ach s THR 91 N -3.52 2.15 0.08 3.41 -1.32 -0.62 -4.80 115.64 111.02 3ach s THR 91 Ca 0.27 -1.13 -0.01 0.00 -1.21 0.00 0.00 61.69 59.61 3ach s THR 91 Cb -0.07 -2.28 -0.04 0.00 -1.51 0.00 0.00 72.50 68.60 3ach s THR 91 CO 0.81 0.00 0.01 0.42 -2.21 0.00 0.00 174.62 173.64 3ach s THR 92 N -2.65 0.18 -0.37 5.08 -4.23 -1.26 -0.27 115.64 112.12 3ach s THR 92 Ca 0.54 -1.82 0.21 0.00 -1.18 0.00 0.00 61.69 59.44 3ach s THR 92 Cb -0.05 -1.68 0.27 0.00 1.34 0.00 0.00 72.50 72.37 3ach s THR 92 CO 0.34 -0.81 1.55 0.08 -0.54 0.00 0.00 174.62 175.24 3ach h ARG 93 N 3.04 0.00 0.00 3.99 0.11 -1.79 -3.49 114.38 116.24 3ach h ARG 93 Ca -0.34 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.74 3ach h ARG 93 Cb 1.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.24 3ach h ARG 93 CO 0.63 0.11 0.00 0.41 0.10 0.00 0.00 179.97 181.22 3ach n GLY 94 N 1.13 2.86 0.70 0.08 0.00 -0.41 -1.91 105.19 107.63 3ach n GLY 94 Ca 0.03 -0.31 0.04 0.00 0.00 0.00 0.00 46.02 45.78 3ach n GLY 94 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ach n ASN 95 N 1.15 1.94 -4.74 1.61 3.02 -1.26 -4.33 115.26 112.65 3ach n ASN 95 Ca 0.00 -2.14 -0.39 0.00 -0.03 0.00 0.00 54.58 52.02 3ach n ASN 95 Cb 0.00 -0.34 -0.05 0.00 -0.61 0.00 0.00 39.78 38.78 3ach n ASN 95 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3ach s ASN 96 N -0.71 7.05 0.15 6.41 -0.87 -0.80 -4.97 114.94 121.20 3ach s ASN 96 Ca 0.18 1.25 0.02 0.00 -1.57 0.00 0.00 52.86 52.75 3ach s ASN 96 Cb 0.12 -2.41 -0.05 0.00 -0.02 0.00 0.00 41.25 38.88 3ach s ASN 96 CO 0.09 -0.01 1.34 0.50 -2.57 0.00 0.00 177.10 176.46 3ach h LYS 97 N 6.09 0.20 -6.00 -0.60 1.63 -1.77 -3.47 116.57 112.65 3ach h LYS 97 Ca -0.43 -0.23 -0.54 0.00 -0.85 0.00 0.00 60.65 58.60 3ach h LYS 97 Cb 1.20 0.07 -0.17 0.00 -0.60 0.00 0.00 32.23 32.73 3ach h LYS 97 CO 0.72 0.99 -0.78 0.71 -3.45 0.00 0.00 179.45 177.64 3ach s TYR 98 N -3.12 1.91 -0.10 1.91 2.02 -0.24 -0.92 117.35 118.81 3ach s TYR 98 Ca -0.03 -0.46 -0.02 0.00 -0.37 0.00 0.00 57.07 56.20 3ach s TYR 98 Cb 0.10 -0.93 -0.03 0.00 -0.40 0.00 0.00 41.96 40.70 3ach s TYR 98 CO 0.83 0.39 -0.02 -1.17 -1.57 0.00 0.00 175.55 174.01 3ach s LEU 99 N -2.82 3.43 0.07 -1.29 0.20 -0.81 -0.62 118.68 116.85 3ach s LEU 99 Ca 0.18 0.05 -0.05 0.00 0.69 0.00 0.00 54.13 55.00 3ach s LEU 99 Cb -0.05 -1.79 -0.02 0.00 -0.43 0.00 0.00 46.19 43.90 3ach s LEU 99 CO 0.08 0.33 0.09 0.28 -0.29 0.00 0.00 176.35 176.83 3ach s THR 100 N -0.57 0.18 0.18 3.68 -1.32 0.17 -0.77 115.64 117.19 3ach s THR 100 Ca 0.09 -1.44 -0.23 0.00 -1.21 0.00 0.00 61.69 58.90 3ach s THR 100 Cb -0.12 -1.39 0.06 0.00 -1.51 0.00 0.00 72.50 69.54 3ach s THR 100 CO 0.02 -0.80 0.64 0.72 -2.21 0.00 0.00 174.62 172.99 3ach s PHE 101 N -3.82 -0.46 -0.03 9.09 -0.12 -0.80 -0.83 117.98 121.02 3ach s PHE 101 Ca 0.05 0.20 -0.26 0.00 -0.05 0.00 0.00 56.93 56.87 3ach s PHE 101 Cb 0.06 0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 43.00 3ach s PHE 101 CO -0.10 -0.92 0.80 -0.51 -0.05 0.00 0.00 175.22 174.43 3ach s ASP 102 N -2.78 7.14 -0.08 1.98 1.01 0.03 -0.94 116.67 123.04 3ach s ASP 102 Ca 0.03 1.38 0.02 0.00 0.71 0.00 0.00 52.55 54.69 3ach s ASP 102 Cb -0.02 -2.47 0.01 0.00 1.01 0.00 0.00 42.92 41.45 3ach s ASP 102 CO -0.09 -0.14 -0.12 0.12 0.21 0.00 0.00 175.17 175.15 3ach s PHE 103 N 0.72 1.55 0.05 4.23 5.36 0.55 -1.29 117.98 129.15 3ach s PHE 103 Ca 0.42 -0.62 0.09 0.00 -0.96 0.00 0.00 56.93 55.86 3ach s PHE 103 Cb -0.19 -1.15 -0.03 0.00 -0.34 0.00 0.00 43.02 41.31 3ach s PHE 103 CO 0.22 -0.33 -0.25 0.71 -1.46 0.00 0.00 175.22 174.11 3ach s TYR 104 N 0.82 2.36 -0.03 10.12 2.02 -0.15 -0.58 117.35 131.91 3ach s TYR 104 Ca -0.11 -0.39 0.07 0.00 -0.37 0.00 0.00 57.07 56.27 3ach s TYR 104 Cb -0.15 -1.39 -0.02 0.00 -0.40 0.00 0.00 41.96 39.99 3ach s TYR 104 CO 0.02 0.16 -0.23 -0.51 -1.57 0.00 0.00 175.55 173.42 3ach s LEU 105 N -1.34 2.25 -0.50 -1.29 1.43 -0.53 -1.34 118.68 117.36 3ach s LEU 105 Ca 0.12 -0.40 0.03 0.00 -1.03 0.00 0.00 54.13 52.86 3ach s LEU 105 Cb -0.10 -1.40 0.16 0.00 0.03 0.00 0.00 46.19 44.88 3ach s LEU 105 CO 0.03 0.32 0.34 -0.75 0.23 0.00 0.00 176.35 176.53 3ach s LYS 106 N -0.67 1.47 0.35 1.70 2.20 0.38 -1.06 119.74 124.11 3ach s LYS 106 Ca 0.11 -2.40 -0.27 0.00 -0.36 0.00 0.00 55.97 53.05 3ach s LYS 106 Cb -0.10 -2.31 -0.09 0.00 -1.51 0.00 0.00 37.83 33.82 3ach s LYS 106 CO -0.00 -1.27 1.13 -1.25 -0.36 0.00 0.00 175.35 173.59 3ach s PRO 107 N -0.24 4.30 0.14 4.03 0.05 -1.26 -1.29 135.00 140.73 3ach s PRO 107 Ca 0.25 1.79 0.20 0.00 0.05 0.00 0.00 61.00 63.29 3ach s PRO 107 Cb -0.09 -2.85 -0.06 0.00 0.05 0.00 0.00 34.50 31.55 3ach s PRO 107 CO -0.11 -0.09 0.95 0.25 0.05 0.00 0.00 177.00 178.05 3ach n THR 108 N 0.48 0.86 -3.74 1.26 -2.24 0.13 -4.92 114.28 106.11 3ach n THR 108 Ca 0.02 -0.61 -0.13 0.00 -2.27 0.00 0.00 64.05 61.06 3ach n THR 108 Cb 0.46 -0.51 -0.14 0.00 -2.10 0.00 0.00 70.33 68.05 3ach n THR 108 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3ach s GLN 109 N -3.18 0.15 -0.30 -0.78 2.00 -0.84 -4.97 119.66 111.74 3ach s GLN 109 Ca -0.02 0.44 -0.05 0.00 -2.00 0.00 0.00 55.36 53.73 3ach s GLN 109 Cb 0.09 -0.14 0.19 0.00 0.80 0.00 0.00 33.01 33.95 3ach s GLN 109 CO 0.80 -0.16 0.76 0.00 -0.50 0.00 0.00 175.29 176.19 3ach s ALA 110 N 1.16 -2.70 0.00 1.58 0.00 -1.26 -1.39 121.76 119.15 3ach s ALA 110 Ca -0.09 1.68 0.00 0.00 0.00 0.00 0.00 51.96 53.55 3ach s ALA 110 Cb -0.11 -2.30 0.00 0.00 0.00 0.00 0.00 23.12 20.71 3ach s ALA 110 CO -0.07 -1.40 0.00 -1.13 0.00 0.00 0.00 175.76 173.16 3ach n SER 111 N 5.44 0.00 -3.82 0.00 3.41 -1.26 -4.80 113.62 112.59 3ach n SER 111 Ca -0.03 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.49 3ach n SER 111 Cb 0.52 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.41 3ach n SER 111 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3ach s LYS 112 N 0.00 1.16 2.48 4.33 -2.85 -1.26 -3.98 119.74 119.61 3ach s LYS 112 Ca 0.00 -0.97 0.00 0.00 -1.00 0.00 0.00 55.97 54.00 3ach s LYS 112 Cb 0.00 0.43 0.00 0.00 -2.06 0.00 0.00 37.83 36.20 3ach s LYS 112 CO 0.00 -0.44 0.00 0.41 0.10 0.00 0.00 175.35 175.42 3ach n GLY 113 N -0.23 -0.20 3.45 0.59 0.00 -1.25 -2.81 105.19 104.74 3ach n GLY 113 Ca -0.11 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.78 3ach n GLY 113 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ach s SER 114 N -4.00 -0.03 -0.09 1.61 1.04 -0.32 -0.73 113.70 111.17 3ach s SER 114 Ca 0.00 -0.91 -0.03 0.00 0.48 0.00 0.00 55.95 55.49 3ach s SER 114 Cb 0.00 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.59 3ach s SER 114 CO 0.00 -1.01 0.05 -0.76 0.98 0.00 0.00 173.24 172.50 3ach s LEU 115 N -3.00 3.85 -0.22 2.42 1.43 -0.48 0.11 118.68 122.79 3ach s LEU 115 Ca 0.21 0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.57 3ach s LEU 115 Cb 0.02 -1.93 0.05 0.00 0.03 0.00 0.00 46.19 44.36 3ach s LEU 115 CO 0.05 0.38 -0.10 -0.89 0.23 0.00 0.00 176.35 176.01 3ach s THR 116 N -0.95 1.78 -0.26 5.49 2.01 -0.07 -0.37 115.64 123.27 3ach s THR 116 Ca 0.14 -1.19 -0.13 0.00 0.31 0.00 0.00 61.69 60.83 3ach s THR 116 Cb -0.12 -1.88 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 3ach s THR 116 CO 0.04 0.10 0.26 -0.63 -0.69 0.00 0.00 174.62 173.70 3ach s ILE 117 N 1.32 5.26 0.15 1.82 1.01 0.58 -0.68 121.20 130.66 3ach s ILE 117 Ca -0.03 0.35 0.07 0.00 0.00 0.00 0.00 60.65 61.04 3ach s ILE 117 Cb -0.17 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 3ach s ILE 117 CO -0.07 0.24 -0.05 -0.44 0.00 0.00 0.00 174.94 174.61 3ach s SER 118 N 1.54 4.57 -0.04 3.58 0.01 -0.18 -1.62 113.70 121.56 3ach s SER 118 Ca 0.11 -0.42 0.06 0.00 1.31 0.00 0.00 55.95 57.01 3ach s SER 118 Cb -0.15 -0.91 -0.01 0.00 0.21 0.00 0.00 66.02 65.15 3ach s SER 118 CO 0.09 0.12 -0.22 -0.22 0.41 0.00 0.00 173.24 173.43 3ach s LEU 119 N -2.67 2.01 0.13 2.44 2.96 -1.26 -1.17 118.68 121.12 3ach s LEU 119 Ca 0.25 -0.43 -0.04 0.00 -0.22 0.00 0.00 54.13 53.69 3ach s LEU 119 Cb -0.10 -1.18 -0.03 0.00 0.50 0.00 0.00 46.19 45.39 3ach s LEU 119 CO 0.16 0.22 0.13 0.00 -1.32 0.00 0.00 176.35 175.55 3ach s ALA 120 N -0.19 0.43 0.18 5.97 0.00 -0.06 -1.01 121.76 127.08 3ach s ALA 120 Ca -0.00 -1.16 0.03 0.00 0.00 0.00 0.00 51.96 50.83 3ach s ALA 120 Cb -0.12 0.75 -0.05 0.00 0.00 0.00 0.00 23.12 23.71 3ach s ALA 120 CO 0.02 -0.53 -0.03 -0.06 0.00 0.00 0.00 175.76 175.16 3ach s PHE 121 N -3.99 1.33 -0.58 0.00 0.08 0.24 -0.40 117.98 114.66 3ach s PHE 121 Ca 0.18 -0.90 0.03 0.00 0.12 0.00 0.00 56.93 56.36 3ach s PHE 121 Cb 0.06 -0.74 0.14 0.00 -0.57 0.00 0.00 43.02 41.91 3ach s PHE 121 CO -0.02 -0.06 0.34 0.00 -0.10 0.00 0.00 175.22 175.38 3ach s ALA 122 N -3.48 3.47 -0.17 5.36 0.00 -0.58 -0.85 121.76 125.50 3ach s ALA 122 Ca 0.23 -3.41 -0.21 0.00 0.00 0.00 0.00 51.96 48.57 3ach s ALA 122 Cb 0.05 -2.23 -0.03 0.00 0.00 0.00 0.00 23.12 20.91 3ach s ALA 122 CO 0.04 -2.05 0.63 -2.14 0.00 0.00 0.00 175.76 172.24 3ach s PRO 123 N -0.53 4.25 0.61 0.00 0.02 -1.26 -0.89 135.00 137.21 3ach s PRO 123 Ca 0.19 0.64 0.37 0.00 0.02 0.00 0.00 61.00 62.21 3ach s PRO 123 Cb -0.21 -3.55 1.99 0.00 0.02 0.00 0.00 34.50 32.76 3ach s PRO 123 CO -0.04 -0.16 2.25 -1.35 -0.33 0.00 0.00 177.00 177.37 3ach h PRO 124 N 7.31 0.00 0.00 5.54 0.11 -1.95 -0.33 132.00 142.68 3ach h PRO 124 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3ach h PRO 124 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3ach h PRO 124 CO 0.77 0.02 -0.02 -1.13 -0.21 0.00 0.00 178.00 177.43 3ach n SER 125 N -3.39 0.08 -2.31 -2.05 3.41 -1.26 -4.01 113.62 104.10 3ach n SER 125 Ca -0.02 0.47 -0.17 0.00 -0.26 0.00 0.00 58.87 58.89 3ach n SER 125 Cb 0.13 -0.49 0.03 0.00 -0.26 0.00 0.00 64.21 63.62 3ach n SER 125 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ach n LEU 126 N -1.56 3.88 -1.12 1.04 4.77 -0.33 -4.96 117.00 118.72 3ach n LEU 126 Ca 0.07 -4.29 -0.15 0.00 -0.03 0.00 0.00 56.01 51.61 3ach n LEU 126 Cb 0.35 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 3ach n LEU 126 CO 0.28 1.81 -0.14 0.61 -1.33 0.00 0.00 177.39 178.62 3ach n GLY 127 N -0.63 1.48 2.38 -0.72 0.00 -1.22 -2.91 105.19 103.56 3ach n GLY 127 Ca 0.32 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 3ach n GLY 127 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ach n PHE 128 N -2.60 -0.17 -3.68 1.61 3.72 -0.28 -4.96 117.46 111.09 3ach n PHE 128 Ca -0.15 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.16 3ach n PHE 128 Cb 0.48 -2.68 -0.10 0.00 -0.94 0.00 0.00 39.48 36.24 3ach n PHE 128 CO 0.00 0.00 0.00 -0.46 -0.05 0.00 0.00 176.76 176.25 3ach s TRP 129 N -2.58 -0.72 -0.11 1.38 -0.11 -1.15 -4.38 118.94 111.28 3ach s TRP 129 Ca 0.00 1.51 -0.05 0.00 1.22 0.00 0.00 56.10 58.78 3ach s TRP 129 Cb 0.00 0.36 0.05 0.00 -1.50 0.00 0.00 33.47 32.38 3ach s TRP 129 CO 0.00 -0.39 0.24 0.00 -4.62 0.00 0.00 176.95 172.18 3ach s ALA 130 N 1.45 -0.52 -0.10 5.86 0.00 -0.03 -4.78 121.76 123.63 3ach s ALA 130 Ca -0.10 0.94 0.03 0.00 0.00 0.00 0.00 51.96 52.84 3ach s ALA 130 Cb -0.07 -0.73 -0.01 0.00 0.00 0.00 0.00 23.12 22.31 3ach s ALA 130 CO -0.14 -0.32 -0.20 -1.14 0.00 0.00 0.00 175.76 173.96 3ach s GLN 131 N 1.59 3.10 0.27 0.00 0.74 -1.26 -0.59 119.66 123.51 3ach s GLN 131 Ca -0.06 -0.80 -0.30 0.00 0.05 0.00 0.00 55.36 54.25 3ach s GLN 131 Cb -0.11 -2.41 -0.11 0.00 1.10 0.00 0.00 33.01 31.48 3ach s GLN 131 CO -0.08 0.23 1.50 0.00 -0.55 0.00 0.00 175.29 176.39 3ach s ALA 132 N 0.25 3.67 0.29 1.58 0.00 -0.18 -0.89 121.76 126.49 3ach s ALA 132 Ca -0.13 1.43 0.11 0.00 0.00 0.00 0.00 51.96 53.37 3ach s ALA 132 Cb -0.16 -3.60 0.45 0.00 0.00 0.00 0.00 23.12 19.81 3ach s ALA 132 CO 0.07 -0.85 1.66 1.15 0.00 0.00 0.00 175.76 177.79 3ach h THR 133 N 3.46 1.40 -0.53 0.00 2.02 -1.30 -3.39 112.91 114.57 3ach h THR 133 Ca -0.47 -1.91 -0.72 0.00 0.77 0.00 0.00 66.41 64.08 3ach h THR 133 Cb 1.22 2.03 -0.07 0.00 -1.74 0.00 0.00 68.15 69.59 3ach h THR 133 CO 0.78 0.55 2.84 0.61 0.37 0.00 0.00 175.52 180.66 3ach n GLY 134 N 0.08 4.58 3.67 2.16 0.00 -1.26 -4.96 105.19 109.45 3ach n GLY 134 Ca -0.01 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 3ach n GLY 134 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ach n ASP 135 N 4.66 2.38 -4.43 1.61 8.00 -1.26 -4.93 116.55 122.58 3ach n ASP 135 Ca 0.53 1.17 -0.35 0.00 0.71 0.00 0.00 54.79 56.86 3ach n ASP 135 Cb 0.35 -1.45 -0.13 0.00 -0.02 0.00 0.00 41.12 39.87 3ach n ASP 135 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3ach s VAL 136 N -1.12 3.80 -0.14 2.53 1.01 -0.64 -4.93 120.40 120.91 3ach s VAL 136 Ca 0.57 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 62.14 3ach s VAL 136 Cb -0.58 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 3ach s VAL 136 CO 0.61 0.44 0.00 0.21 0.00 0.00 0.00 175.10 176.36 3ach s ASN 137 N 0.96 5.16 -0.32 3.32 3.84 -1.26 -0.31 114.94 126.34 3ach s ASN 137 Ca 0.01 0.01 -0.02 0.00 0.21 0.00 0.00 52.86 53.07 3ach s ASN 137 Cb -0.14 -1.75 0.06 0.00 -0.55 0.00 0.00 41.25 38.87 3ach s ASN 137 CO 0.01 0.23 0.04 -0.63 -2.79 0.00 0.00 177.10 173.96 3ach s ILE 138 N 0.02 3.01 0.17 -5.21 1.01 0.51 -4.97 121.20 115.74 3ach s ILE 138 Ca 0.03 -1.55 -0.30 0.00 0.00 0.00 0.00 60.65 58.83 3ach s ILE 138 Cb -0.13 -2.81 -0.08 0.00 0.01 0.00 0.00 42.46 39.45 3ach s ILE 138 CO 0.02 -0.23 1.20 -2.84 0.00 0.00 0.00 174.94 173.09 3ach s PRO 139 N 1.22 4.48 0.28 2.79 0.02 -1.26 -1.38 135.00 141.14 3ach s PRO 139 Ca -0.02 1.86 0.11 0.00 0.02 0.00 0.00 61.00 62.98 3ach s PRO 139 Cb -0.20 -3.25 0.37 0.00 0.02 0.00 0.00 34.50 31.43 3ach s PRO 139 CO -0.02 -0.11 1.61 -0.07 -0.33 0.00 0.00 177.00 178.08 3ach h LEU 140 N 5.47 0.00 -0.65 -5.54 3.38 -1.19 -1.91 115.31 114.87 3ach h LEU 140 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3ach h LEU 140 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3ach h LEU 140 CO 0.76 0.60 0.00 -1.54 0.09 0.00 0.00 178.44 178.35 3ach n SER 141 N -3.75 0.37 0.22 -0.43 3.41 -1.26 -1.95 113.62 110.23 3ach n SER 141 Ca -0.01 0.63 0.12 0.00 -0.26 0.00 0.00 58.87 59.35 3ach n SER 141 Cb 0.62 -0.69 0.23 0.00 -0.26 0.00 0.00 64.21 64.11 3ach n SER 141 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3ach h SER 142 N 0.00 0.00 -0.16 4.04 4.64 -1.72 -3.35 113.55 117.00 3ach h SER 142 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 3ach h SER 142 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3ach h SER 142 CO 0.00 0.07 -0.30 -0.07 -0.87 0.00 0.00 176.83 175.65 3ach h LEU 143 N 0.00 0.54 -2.00 5.97 3.38 -1.51 -3.02 115.31 118.67 3ach h LEU 143 Ca -0.00 -0.55 0.11 0.00 0.09 0.00 0.00 57.88 57.53 3ach h LEU 143 Cb 0.97 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 3ach h LEU 143 CO 0.01 0.99 0.29 0.77 0.09 0.00 0.00 178.44 180.58 3ach h SER 144 N 0.10 0.00 0.93 -0.43 4.64 -1.76 0.38 113.55 117.42 3ach h SER 144 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3ach h SER 144 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 3ach h SER 144 CO 0.07 0.00 -0.18 0.29 -0.87 0.00 0.00 176.83 176.14 3ach n LYS 145 N -4.40 0.06 -2.68 4.77 5.02 -1.14 -4.85 118.16 114.95 3ach n LYS 145 Ca 0.06 0.04 -0.41 0.00 -2.02 0.00 0.00 58.31 55.98 3ach n LYS 145 Cb 0.47 -1.56 -0.04 0.00 -0.02 0.00 0.00 35.03 33.89 3ach n LYS 145 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 3ach s MET 146 N -3.03 4.64 0.15 1.97 1.75 0.12 -5.01 119.30 119.88 3ach s MET 146 Ca 0.12 1.49 -0.31 0.00 -1.25 0.00 0.00 55.69 55.75 3ach s MET 146 Cb 0.17 -3.38 -0.08 0.00 2.84 0.00 0.00 34.83 34.38 3ach s MET 146 CO 0.60 0.10 1.36 0.21 -0.65 0.00 0.00 175.02 176.64 3ach s LYS 147 N 0.27 4.35 0.52 4.11 2.20 -1.26 -5.01 119.74 124.93 3ach s LYS 147 Ca 0.49 2.07 -0.11 0.00 -0.36 0.00 0.00 55.97 58.06 3ach s LYS 147 Cb -0.24 -3.22 -0.05 0.00 -1.51 0.00 0.00 37.83 32.80 3ach s LYS 147 CO 0.30 -0.37 0.92 0.15 -0.36 0.00 0.00 175.35 175.99 3ach s LYS 148 N 0.60 3.70 1.15 4.03 1.02 -1.26 -4.74 119.74 124.24 3ach s LYS 148 Ca 0.61 0.63 -0.14 0.00 0.02 0.00 0.00 55.97 57.09 3ach s LYS 148 Cb -0.37 -2.22 0.27 0.00 -0.52 0.00 0.00 37.83 35.00 3ach s LYS 148 CO 0.34 -0.32 1.04 0.95 -0.92 0.00 0.00 175.35 176.44 3ach s THR 149 N -2.80 1.94 0.40 2.17 -4.23 0.23 -4.87 115.64 108.47 3ach s THR 149 Ca 0.54 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 61.14 3ach s THR 149 Cb -0.10 -2.21 0.31 0.00 1.34 0.00 0.00 72.50 71.84 3ach s THR 149 CO 0.42 0.00 1.97 0.71 -0.54 0.00 0.00 174.62 177.18 3ach h THR 150 N -2.50 0.96 -0.45 3.99 1.35 -1.99 -1.00 112.91 113.28 3ach h THR 150 Ca -0.59 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 3ach h THR 150 Cb 1.34 0.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 3ach h THR 150 CO 0.51 0.11 0.00 -0.90 -0.25 0.00 0.00 175.52 174.99 3ach n ASP 151 N -4.48 3.51 0.00 5.36 5.75 -1.26 -4.93 116.55 120.51 3ach n ASP 151 Ca 0.10 -2.33 0.00 0.00 -0.01 0.00 0.00 54.79 52.55 3ach n ASP 151 Cb 0.29 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.89 3ach n ASP 151 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ach n GLY 152 N 0.85 0.65 3.83 6.12 0.00 -0.38 -4.99 105.19 111.27 3ach n GLY 152 Ca 0.18 -0.67 -0.25 0.00 0.00 0.00 0.00 46.02 45.29 3ach n GLY 152 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ach s LEU 153 N 0.00 3.90 -0.23 0.99 1.43 -1.26 -4.81 118.68 118.71 3ach s LEU 153 Ca 0.00 -0.11 -0.16 0.00 -1.03 0.00 0.00 54.13 52.82 3ach s LEU 153 Cb 0.00 -2.48 -0.04 0.00 0.03 0.00 0.00 46.19 43.70 3ach s LEU 153 CO 0.00 0.03 0.43 -0.31 0.23 0.00 0.00 176.35 176.72 3ach s TYR 154 N -1.87 3.33 -0.28 0.29 1.51 -0.22 -0.60 117.35 119.51 3ach s TYR 154 Ca 0.32 0.59 -0.07 0.00 -1.01 0.00 0.00 57.07 56.91 3ach s TYR 154 Cb -0.09 -2.58 -0.00 0.00 -0.11 0.00 0.00 41.96 39.17 3ach s TYR 154 CO 0.25 -0.11 0.07 -1.58 -1.11 0.00 0.00 175.55 173.07 3ach s HIS 155 N 1.67 3.12 -0.01 2.71 2.46 -1.26 -1.45 115.29 122.52 3ach s HIS 155 Ca 0.19 -0.84 0.03 0.00 0.47 0.00 0.00 55.06 54.91 3ach s HIS 155 Cb -0.15 -2.24 -0.03 0.00 -0.13 0.00 0.00 32.58 30.02 3ach s HIS 155 CO 0.09 -0.52 -0.09 -0.06 -2.47 0.00 0.00 174.74 171.68 3ach s PHE 156 N 1.53 2.83 -0.33 3.88 0.08 0.25 -4.99 117.98 121.23 3ach s PHE 156 Ca 0.04 -0.07 -0.06 0.00 0.12 0.00 0.00 56.93 56.95 3ach s PHE 156 Cb -0.16 -1.61 0.04 0.00 -0.57 0.00 0.00 43.02 40.71 3ach s PHE 156 CO 0.02 0.32 0.09 -1.14 -0.10 0.00 0.00 175.22 174.42 3ach s GLN 157 N -1.21 2.65 -0.14 0.44 0.74 -1.26 -0.33 119.66 120.54 3ach s GLN 157 Ca 0.15 -1.16 -0.10 0.00 0.05 0.00 0.00 55.36 54.30 3ach s GLN 157 Cb -0.11 -3.43 -0.05 0.00 1.10 0.00 0.00 33.01 30.52 3ach s GLN 157 CO 0.05 -0.64 0.20 0.08 -0.55 0.00 0.00 175.29 174.42 3ach s VAL 158 N 1.40 5.39 0.02 1.34 1.01 -0.12 -4.94 120.40 124.50 3ach s VAL 158 Ca -0.02 0.34 0.08 0.00 0.00 0.00 0.00 61.98 62.38 3ach s VAL 158 Cb -0.19 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 3ach s VAL 158 CO 0.02 0.51 -0.23 -0.54 0.00 0.00 0.00 175.10 174.86 3ach s LYS 159 N -0.25 1.67 -0.12 2.72 1.02 -1.26 -1.91 119.74 121.61 3ach s LYS 159 Ca 0.14 -0.94 0.00 0.00 0.02 0.00 0.00 55.97 55.19 3ach s LYS 159 Cb -0.12 -1.74 0.02 0.00 -0.52 0.00 0.00 37.83 35.47 3ach s LYS 159 CO 0.03 0.46 -0.11 0.71 -0.92 0.00 0.00 175.35 175.51 3ach s TYR 160 N -0.70 1.76 -0.37 3.18 2.02 0.05 -5.00 117.35 118.29 3ach s TYR 160 Ca 0.09 -0.89 -0.29 0.00 -0.37 0.00 0.00 57.07 55.61 3ach s TYR 160 Cb -0.09 -1.36 0.00 0.00 -0.40 0.00 0.00 41.96 40.12 3ach s TYR 160 CO 0.01 -0.53 1.41 0.34 -1.57 0.00 0.00 175.55 175.21 3ach s ASP 161 N 1.43 6.39 0.00 2.29 -1.08 -1.26 -1.92 116.67 122.51 3ach s ASP 161 Ca 0.01 0.97 0.23 0.00 -0.52 0.00 0.00 52.55 53.24 3ach s ASP 161 Cb -0.13 -2.54 1.34 0.00 -1.46 0.00 0.00 42.92 40.12 3ach s ASP 161 CO -0.07 -1.36 1.74 0.18 0.52 0.00 0.00 175.17 176.18 3ach n LEU 162 N 8.60 0.00 -0.55 -1.34 4.77 -0.09 -1.76 117.00 126.63 3ach n LEU 162 Ca 0.16 0.04 0.14 0.00 -0.03 0.00 0.00 56.01 56.32 3ach n LEU 162 Cb 0.47 -0.04 0.46 0.00 -2.33 0.00 0.00 43.42 41.98 3ach n LEU 162 CO 0.68 -0.01 0.83 0.47 -1.33 0.00 0.00 177.39 178.04 3ach n ASP 163 N -1.04 1.72 -4.03 -1.43 8.00 -1.26 -4.59 116.55 113.92 3ach n ASP 163 Ca 0.16 -1.58 -0.33 0.00 0.71 0.00 0.00 54.79 53.76 3ach n ASP 163 Cb 0.09 -0.01 -0.13 0.00 -0.02 0.00 0.00 41.12 41.05 3ach n ASP 163 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3ach s LYS 164 N -1.99 1.89 0.02 -1.24 1.02 -0.72 -5.05 119.74 113.67 3ach s LYS 164 Ca 0.36 -2.17 0.07 0.00 0.02 0.00 0.00 55.97 54.25 3ach s LYS 164 Cb 0.21 -3.40 -0.02 0.00 -0.52 0.00 0.00 37.83 34.10 3ach s LYS 164 CO 0.33 -1.05 -0.21 0.42 -0.92 0.00 0.00 175.35 173.92 3ach s ILE 165 N 0.47 1.64 0.81 2.17 -1.09 -1.26 -0.85 121.20 123.09 3ach s ILE 165 Ca 0.13 -1.05 -0.11 0.00 -2.23 0.00 0.00 60.65 57.39 3ach s ILE 165 Cb -0.22 -1.40 0.08 0.00 -1.58 0.00 0.00 42.46 39.34 3ach s ILE 165 CO -0.04 0.31 1.09 0.20 -1.23 0.00 0.00 174.94 175.27 3ach s ASN 166 N -0.87 4.23 -1.46 3.58 0.01 -0.07 -4.13 114.94 116.24 3ach s ASN 166 Ca 0.08 1.70 0.00 0.00 -0.71 0.00 0.00 52.86 53.93 3ach s ASN 166 Cb -0.08 -2.40 0.00 0.00 0.41 0.00 0.00 41.25 39.17 3ach s ASN 166 CO 0.01 -2.19 0.00 0.47 -1.51 0.00 0.00 177.10 173.88 3ach n ASP 167 N -3.61 -4.65 0.00 -1.22 8.00 -1.26 -2.30 116.55 111.51 3ach n ASP 167 Ca 0.08 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.89 3ach n ASP 167 Cb 0.54 -3.43 0.00 0.00 -0.02 0.00 0.00 41.12 38.21 3ach n ASP 167 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ach n GLY 168 N -1.23 0.36 3.77 0.44 0.00 -1.26 -4.97 105.19 102.29 3ach n GLY 168 Ca -0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 3ach n GLY 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ach s LYS 169 N -0.70 4.60 -0.10 1.61 1.02 -0.97 -5.04 119.74 120.16 3ach s LYS 169 Ca 0.00 1.55 0.04 0.00 0.02 0.00 0.00 55.97 57.57 3ach s LYS 169 Cb 0.00 -3.00 0.00 0.00 -0.52 0.00 0.00 37.83 34.31 3ach s LYS 169 CO 0.00 0.25 -0.22 0.08 -0.92 0.00 0.00 175.35 174.54 3ach s VAL 170 N -1.37 1.89 -0.43 3.17 1.01 -1.26 -4.55 120.40 118.86 3ach s VAL 170 Ca 0.47 -0.91 -0.15 0.00 0.00 0.00 0.00 61.98 61.39 3ach s VAL 170 Cb -0.25 -1.65 0.04 0.00 0.00 0.00 0.00 36.38 34.52 3ach s VAL 170 CO 0.32 0.52 0.32 -0.76 0.00 0.00 0.00 175.10 175.50 3ach s LEU 171 N 0.46 5.26 0.74 3.92 1.43 -1.26 -5.01 118.68 124.21 3ach s LEU 171 Ca -0.17 -1.07 -0.07 0.00 -1.03 0.00 0.00 54.13 51.80 3ach s LEU 171 Cb -0.17 -2.15 0.09 0.00 0.03 0.00 0.00 46.19 43.98 3ach s LEU 171 CO 0.07 -0.51 1.05 0.42 0.23 0.00 0.00 176.35 177.61 3ach s THR 172 N 1.65 2.22 0.55 5.49 -4.23 -1.26 -4.95 115.64 115.11 3ach s THR 172 Ca 0.04 -0.28 0.26 0.00 -1.18 0.00 0.00 61.69 60.53 3ach s THR 172 Cb -0.21 -2.94 0.38 0.00 1.34 0.00 0.00 72.50 71.07 3ach s THR 172 CO 0.08 0.00 2.02 0.00 -0.54 0.00 0.00 174.62 176.19 3ach h ALA 173 N -0.73 2.27 -0.01 3.99 0.00 -1.96 -2.68 119.26 120.14 3ach h ALA 173 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3ach h ALA 173 Cb 1.30 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3ach h ALA 173 CO 0.54 -0.52 -0.09 0.09 0.00 0.00 0.00 179.25 179.27 3ach n ASN 174 N -4.19 1.81 -4.67 0.00 4.13 -1.26 -1.29 115.26 109.78 3ach n ASN 174 Ca 0.07 -1.41 -0.42 0.00 1.68 0.00 0.00 54.58 54.50 3ach n ASN 174 Cb 0.50 0.17 -0.03 0.00 -1.54 0.00 0.00 39.78 38.88 3ach n ASN 174 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3ach s THR 175 N -1.25 2.86 0.14 3.41 2.01 -1.01 -4.91 115.64 116.88 3ach s THR 175 Ca 0.13 0.11 -0.31 0.00 0.31 0.00 0.00 61.69 61.93 3ach s THR 175 Cb 0.10 -3.07 -0.09 0.00 0.01 0.00 0.00 72.50 69.46 3ach s THR 175 CO 0.21 -0.01 1.44 -0.69 -0.69 0.00 0.00 174.62 174.89 3ach s VAL 176 N 3.60 3.09 -0.43 3.82 1.01 -1.26 -4.52 120.40 125.71 3ach s VAL 176 Ca 0.83 0.79 -0.07 0.00 0.00 0.00 0.00 61.98 63.53 3ach s VAL 176 Cb -0.43 -3.50 0.10 0.00 0.00 0.00 0.00 36.38 32.55 3ach s VAL 176 CO 0.38 0.06 0.26 -0.76 0.00 0.00 0.00 175.10 175.04 3ach s LEU 177 N 1.04 5.33 -0.01 3.92 1.43 0.63 -3.94 118.68 127.08 3ach s LEU 177 Ca 0.66 -1.84 -0.25 0.00 -1.03 0.00 0.00 54.13 51.67 3ach s LEU 177 Cb -0.39 -1.93 -0.18 0.00 0.03 0.00 0.00 46.19 43.72 3ach s LEU 177 CO 0.31 -0.59 1.23 -0.09 0.23 0.00 0.00 176.35 177.44 3ach h ARG 178 N 8.27 -0.13 -6.33 1.70 2.43 -1.29 -1.59 114.38 117.45 3ach h ARG 178 Ca -0.19 0.01 -0.62 0.00 -0.81 0.00 0.00 59.98 58.37 3ach h ARG 178 Cb 1.07 0.03 -0.16 0.00 -0.42 0.00 0.00 29.97 30.49 3ach h ARG 178 CO 0.76 0.27 -0.78 -0.51 -1.51 0.00 0.00 179.97 178.21 3ach s ASP 179 N -5.47 3.48 -0.07 -3.80 1.01 -1.24 -0.52 116.67 110.06 3ach s ASP 179 Ca -0.15 -0.97 0.05 0.00 0.71 0.00 0.00 52.55 52.20 3ach s ASP 179 Cb 0.02 -0.27 -0.01 0.00 1.01 0.00 0.00 42.92 43.66 3ach s ASP 179 CO 0.61 0.06 -0.24 -0.63 0.21 0.00 0.00 175.17 175.18 3ach s ILE 180 N -2.20 2.11 -0.04 0.77 1.01 -0.88 -1.53 121.20 120.42 3ach s ILE 180 Ca 0.26 -1.04 0.05 0.00 0.00 0.00 0.00 60.65 59.92 3ach s ILE 180 Cb -0.06 -1.77 -0.01 0.00 0.01 0.00 0.00 42.46 40.63 3ach s ILE 180 CO 0.13 0.57 -0.19 -0.89 0.00 0.00 0.00 174.94 174.55 3ach s THR 181 N -0.06 1.59 -0.10 2.92 2.01 0.46 -0.50 115.64 121.96 3ach s THR 181 Ca -0.07 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.15 3ach s THR 181 Cb -0.15 -1.36 0.01 0.00 0.01 0.00 0.00 72.50 71.01 3ach s THR 181 CO 0.05 0.45 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.60 3ach s ILE 182 N -0.07 1.81 -0.12 1.82 1.01 -0.25 -0.88 121.20 124.50 3ach s ILE 182 Ca -0.02 -0.86 0.03 0.00 0.00 0.00 0.00 60.65 59.79 3ach s ILE 182 Cb -0.12 -1.58 0.00 0.00 0.01 0.00 0.00 42.46 40.77 3ach s ILE 182 CO 0.02 0.50 -0.21 -0.69 0.00 0.00 0.00 174.94 174.56 3ach s VAL 183 N 0.53 2.24 -0.76 2.92 1.01 -0.32 -1.06 120.40 124.97 3ach s VAL 183 Ca -0.15 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 60.83 3ach s VAL 183 Cb -0.17 -1.89 0.20 0.00 0.00 0.00 0.00 36.38 34.51 3ach s VAL 183 CO 0.05 0.55 0.64 -0.69 0.00 0.00 0.00 175.10 175.65 3ach s VAL 184 N 0.58 4.55 0.41 2.92 1.01 -0.48 -1.01 120.40 128.37 3ach s VAL 184 Ca -0.12 -2.98 -0.18 0.00 0.00 0.00 0.00 61.98 58.70 3ach s VAL 184 Cb -0.17 -3.86 -0.10 0.00 0.00 0.00 0.00 36.38 32.25 3ach s VAL 184 CO 0.04 -0.98 0.89 0.00 0.00 0.00 0.00 175.10 175.04 3ach s ALA 185 N -0.27 3.14 -0.26 5.51 0.00 0.14 -3.86 121.76 126.15 3ach s ALA 185 Ca 0.20 0.23 -0.26 0.00 0.00 0.00 0.00 51.96 52.12 3ach s ALA 185 Cb -0.14 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 19.97 3ach s ALA 185 CO -0.07 0.12 0.93 0.34 0.00 0.00 0.00 175.76 177.08 3ach s ASP 186 N -2.42 6.89 -1.14 0.00 2.15 -1.26 -0.90 116.67 120.00 3ach s ASP 186 Ca 0.59 1.07 -0.06 0.00 0.43 0.00 0.00 52.55 54.57 3ach s ASP 186 Cb -0.10 -2.48 0.26 0.00 -0.30 0.00 0.00 42.92 40.31 3ach s ASP 186 CO 0.18 -0.65 1.60 0.61 -0.17 0.00 0.00 175.17 176.75 3ach n GLY 187 N 3.73 5.01 4.00 2.66 0.00 0.12 -4.70 105.19 116.02 3ach n GLY 187 Ca 0.08 -2.48 -0.31 0.00 0.00 0.00 0.00 46.02 43.30 3ach n GLY 187 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ach n ASN 188 N 2.17 -3.93 -5.01 1.61 5.15 -1.26 -1.18 115.26 112.82 3ach n ASN 188 Ca 0.30 -0.86 -0.18 0.00 -0.60 0.00 0.00 54.58 53.24 3ach n ASN 188 Cb 0.34 -3.51 0.02 0.00 -0.53 0.00 0.00 39.78 36.10 3ach n ASN 188 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3ach s SER 189 N -3.42 5.53 -0.28 1.20 1.04 -1.26 -3.96 113.70 112.55 3ach s SER 189 Ca 0.62 -0.49 0.09 0.00 0.48 0.00 0.00 55.95 56.65 3ach s SER 189 Cb -0.32 -0.48 0.50 0.00 0.10 0.00 0.00 66.02 65.83 3ach s SER 189 CO 0.86 -0.89 1.45 -0.90 0.98 0.00 0.00 173.24 174.74 3ach n ASP 190 N -1.94 2.52 -4.75 7.02 5.75 -1.12 -4.96 116.55 119.06 3ach n ASP 190 Ca 0.10 -3.73 -0.41 0.00 -0.01 0.00 0.00 54.79 50.73 3ach n ASP 190 Cb 0.60 -0.62 -0.02 0.00 -1.03 0.00 0.00 41.12 40.04 3ach n ASP 190 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 3ach s PHE 191 N -3.22 2.93 0.01 2.11 5.36 -1.26 -4.34 117.98 119.57 3ach s PHE 191 Ca 0.44 1.02 -0.00 0.00 -0.96 0.00 0.00 56.93 57.42 3ach s PHE 191 Cb 0.40 -3.88 -0.01 0.00 -0.34 0.00 0.00 43.02 39.20 3ach s PHE 191 CO -0.00 -2.82 -0.00 0.00 -1.46 0.00 0.00 175.22 170.93 3ach s ALA 192 N -0.19 0.02 0.00 11.12 0.00 -0.48 -2.32 121.76 129.91 3ach s ALA 192 Ca 0.59 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.34 3ach s ALA 192 Cb -0.43 0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.74 3ach s ALA 192 CO 0.47 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.57 3ach n GLY 193 N 2.48 0.71 3.74 0.00 0.00 -0.58 0.18 105.19 111.71 3ach n GLY 193 Ca -0.17 -1.72 -0.35 0.00 0.00 0.00 0.00 46.02 43.78 3ach n GLY 193 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ach s THR 194 N -3.10 4.60 0.18 2.61 2.01 -0.41 -1.03 115.64 120.49 3ach s THR 194 Ca 0.00 -0.22 0.11 0.00 0.31 0.00 0.00 61.69 61.89 3ach s THR 194 Cb 0.00 -2.99 -0.04 0.00 0.01 0.00 0.00 72.50 69.48 3ach s THR 194 CO 0.00 0.55 -0.24 -0.04 -0.69 0.00 0.00 174.62 174.19 3ach s MET 195 N -1.11 1.47 -0.04 4.92 1.00 -0.09 -0.47 119.30 124.98 3ach s MET 195 Ca 0.16 -1.47 -0.07 0.00 0.00 0.00 0.00 55.69 54.30 3ach s MET 195 Cb -0.12 -1.83 0.01 0.00 0.00 0.00 0.00 34.83 32.90 3ach s MET 195 CO 0.05 0.40 0.17 0.71 0.00 0.00 0.00 175.02 176.36 3ach s TYR 196 N -1.54 -0.10 0.03 -0.03 2.02 -0.45 -1.84 117.35 115.45 3ach s TYR 196 Ca 0.19 0.23 0.08 0.00 -0.37 0.00 0.00 57.07 57.20 3ach s TYR 196 Cb -0.08 0.02 -0.03 0.00 -0.40 0.00 0.00 41.96 41.47 3ach s TYR 196 CO 0.09 -0.19 -0.25 -0.51 -1.57 0.00 0.00 175.55 173.12 3ach s LEU 197 N -0.60 2.14 0.11 -1.29 1.43 -0.03 -0.98 118.68 119.47 3ach s LEU 197 Ca -0.07 -0.54 -0.12 0.00 -1.03 0.00 0.00 54.13 52.37 3ach s LEU 197 Cb -0.04 -1.20 0.02 0.00 0.03 0.00 0.00 46.19 44.99 3ach s LEU 197 CO 0.01 0.24 0.30 -0.62 0.23 0.00 0.00 176.35 176.51 3ach s ASP 198 N -1.08 -0.05 -1.31 2.29 -1.08 -0.41 -1.66 116.67 113.37 3ach s ASP 198 Ca 0.10 -0.50 -0.02 0.00 -0.52 0.00 0.00 52.55 51.61 3ach s ASP 198 Cb -0.10 0.41 0.01 0.00 -1.46 0.00 0.00 42.92 41.78 3ach s ASP 198 CO 0.01 -0.80 0.86 0.59 0.52 0.00 0.00 175.17 176.36 3ach n ASN 199 N -0.15 -2.28 -4.65 -0.34 4.13 -0.20 -0.79 115.26 110.98 3ach n ASN 199 Ca -0.15 -0.73 -0.43 0.00 1.68 0.00 0.00 54.58 54.95 3ach n ASN 199 Cb 0.63 -4.44 -0.02 0.00 -1.54 0.00 0.00 39.78 34.41 3ach n ASN 199 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3ach s ILE 200 N -3.51 4.48 0.15 2.41 1.01 -0.74 -4.19 121.20 120.81 3ach s ILE 200 Ca 0.13 1.74 -0.21 0.00 0.00 0.00 0.00 60.65 62.31 3ach s ILE 200 Cb -0.06 -4.28 0.06 0.00 0.01 0.00 0.00 42.46 38.19 3ach s ILE 200 CO 0.78 -0.33 0.55 0.00 0.00 0.00 0.00 174.94 175.94 3ach s ARG 201 N 3.55 1.22 0.29 2.79 1.70 -0.01 -0.66 118.95 127.84 3ach s ARG 201 Ca 0.48 -0.51 -0.20 0.00 -0.47 0.00 0.00 55.73 55.03 3ach s ARG 201 Cb -0.15 0.56 -0.09 0.00 -0.57 0.00 0.00 34.95 34.70 3ach s ARG 201 CO 0.13 -0.52 0.80 -0.06 -1.08 0.00 0.00 175.30 174.58 3ach s PHE 202 N -3.69 3.55 0.00 5.89 0.08 -1.26 -0.65 117.98 121.90 3ach s PHE 202 Ca 0.01 1.47 0.00 0.00 0.12 0.00 0.00 56.93 58.53 3ach s PHE 202 Cb -0.00 -2.70 0.00 0.00 -0.57 0.00 0.00 43.02 39.75 3ach s PHE 202 CO -0.12 0.20 0.00 -0.85 -0.10 0.00 0.00 175.22 174.35