#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3juy n VAL 2 N 0.00 0.61 -3.70 -0.39 0.31 -1.26 -4.29 118.33 109.61 3juy n VAL 2 Ca 0.00 -0.15 -0.13 0.00 -0.01 0.00 0.00 64.34 64.05 3juy n VAL 2 Cb 0.00 -2.00 -0.09 0.00 -0.91 0.00 0.00 33.84 30.84 3juy n VAL 2 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3juy s GLN 3 N 0.18 0.58 -0.22 5.55 0.74 -0.56 -5.01 119.66 120.92 3juy s GLN 3 Ca 0.68 0.75 0.02 0.00 0.05 0.00 0.00 55.36 56.86 3juy s GLN 3 Cb -0.49 0.24 0.05 0.00 1.10 0.00 0.00 33.01 33.91 3juy s GLN 3 CO 0.42 -0.09 -0.12 -0.51 -0.55 0.00 0.00 175.29 174.44 3juy s LEU 4 N 0.48 2.72 -0.26 3.68 1.43 -1.26 -1.55 118.68 123.92 3juy s LEU 4 Ca -0.02 -1.07 -0.07 0.00 -1.03 0.00 0.00 54.13 51.94 3juy s LEU 4 Cb -0.04 -1.39 -0.02 0.00 0.03 0.00 0.00 46.19 44.77 3juy s LEU 4 CO -0.02 -0.15 0.07 -0.69 0.23 0.00 0.00 176.35 175.80 3juy s VAL 5 N 1.27 4.18 0.43 -1.59 1.01 -0.07 -4.14 120.40 121.49 3juy s VAL 5 Ca -0.04 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.63 3juy s VAL 5 Cb -0.17 -3.02 0.01 0.00 0.00 0.00 0.00 36.38 33.19 3juy s VAL 5 CO -0.08 0.25 0.61 -1.10 0.00 0.00 0.00 175.10 174.79 3juy s GLN 6 N 1.58 2.90 0.85 2.72 -0.21 -1.26 -1.16 119.66 125.08 3juy s GLN 6 Ca 0.05 -0.89 -0.14 0.00 0.02 0.00 0.00 55.36 54.40 3juy s GLN 6 Cb -0.16 -2.66 0.21 0.00 1.00 0.00 0.00 33.01 31.39 3juy s GLN 6 CO 0.03 -0.28 0.92 -1.13 -2.12 0.00 0.00 175.29 172.71 3juy n SER 7 N -1.96 -0.97 -4.91 5.90 3.41 -0.86 -4.97 113.62 109.25 3juy n SER 7 Ca 0.04 -1.17 -0.27 0.00 -0.26 0.00 0.00 58.87 57.21 3juy n SER 7 Cb 0.59 -0.77 -0.01 0.00 -0.26 0.00 0.00 64.21 63.75 3juy n SER 7 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3juy s GLY 8 N -4.55 1.59 0.72 5.00 0.00 -1.26 -4.72 107.32 104.10 3juy s GLY 8 Ca 0.56 -0.57 -0.16 0.00 0.00 0.00 0.00 44.72 44.55 3juy s GLY 8 CO 0.41 -0.43 1.05 0.00 0.00 0.00 0.00 173.10 174.12 3juy n ALA 9 N -1.77 -0.00 -2.97 3.20 0.00 -1.26 -4.83 120.51 112.88 3juy n ALA 9 Ca -0.01 -0.18 -0.09 0.00 0.00 0.00 0.00 53.44 53.16 3juy n ALA 9 Cb 0.55 -2.16 -0.11 0.00 0.00 0.00 0.00 19.45 17.73 3juy n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3juy s GLU 10 N -3.43 0.37 -0.17 0.00 2.02 -0.62 -4.99 118.70 111.87 3juy s GLU 10 Ca 0.75 -0.59 -0.07 0.00 0.02 0.00 0.00 54.97 55.08 3juy s GLU 10 Cb -0.34 0.14 -0.04 0.00 0.10 0.00 0.00 34.13 33.98 3juy s GLU 10 CO 0.49 -0.07 0.06 0.08 0.02 0.00 0.00 175.26 175.84 3juy s VAL 11 N -1.57 4.76 -0.00 2.63 1.01 -1.26 -1.56 120.40 124.40 3juy s VAL 11 Ca -0.15 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 61.81 3juy s VAL 11 Cb -0.09 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 3juy s VAL 11 CO -0.01 0.48 -0.08 -0.54 0.00 0.00 0.00 175.10 174.96 3juy s LYS 12 N 0.18 0.64 0.60 2.72 -0.14 0.34 -4.97 119.74 119.12 3juy s LYS 12 Ca 0.04 -0.30 -0.13 0.00 -1.36 0.00 0.00 55.97 54.22 3juy s LYS 12 Cb -0.12 -0.62 -0.04 0.00 -1.68 0.00 0.00 37.83 35.37 3juy s LYS 12 CO 0.01 0.17 1.03 0.15 -0.76 0.00 0.00 175.35 175.94 3juy s LYS 13 N -0.23 3.54 0.68 1.68 1.02 -1.26 -1.97 119.74 123.21 3juy s LYS 13 Ca 0.03 0.89 -0.17 0.00 0.02 0.00 0.00 55.97 56.74 3juy s LYS 13 Cb -0.03 -2.07 0.01 0.00 -0.52 0.00 0.00 37.83 35.22 3juy s LYS 13 CO -0.00 -0.62 1.25 -2.14 -0.92 0.00 0.00 175.35 172.92 3juy s PRO 14 N -4.75 2.38 0.00 -1.68 0.02 -1.26 -2.71 135.00 127.01 3juy s PRO 14 Ca 0.57 1.91 0.00 0.00 0.02 0.00 0.00 61.00 63.51 3juy s PRO 14 Cb -0.12 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.56 3juy s PRO 14 CO 0.46 -1.69 0.00 0.41 -0.33 0.00 0.00 177.00 175.86 3juy n GLY 15 N 0.65 2.64 3.50 0.52 0.00 -0.54 -4.95 105.19 107.01 3juy n GLY 15 Ca 0.15 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 3juy n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3juy s ALA 16 N -1.39 -0.09 0.31 4.61 0.00 -1.10 -3.75 121.76 120.35 3juy s ALA 16 Ca 0.00 -0.51 0.09 0.00 0.00 0.00 0.00 51.96 51.54 3juy s ALA 16 Cb 0.00 -3.08 -0.06 0.00 0.00 0.00 0.00 23.12 19.98 3juy s ALA 16 CO 0.00 -3.79 -0.10 -1.54 0.00 0.00 0.00 175.76 170.33 3juy s SER 17 N -3.12 3.38 -0.02 0.00 1.04 -1.26 -0.46 113.70 113.26 3juy s SER 17 Ca 0.68 -1.16 0.01 0.00 0.48 0.00 0.00 55.95 55.96 3juy s SER 17 Cb -0.18 -0.28 0.01 0.00 0.10 0.00 0.00 66.02 65.67 3juy s SER 17 CO 0.60 -0.20 -0.01 0.54 0.98 0.00 0.00 173.24 175.15 3juy s VAL 18 N -2.73 0.19 -0.21 5.02 0.11 -0.27 -4.98 120.40 117.53 3juy s VAL 18 Ca 0.31 -0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.36 3juy s VAL 18 Cb 0.01 -0.23 0.03 0.00 -1.53 0.00 0.00 36.38 34.67 3juy s VAL 18 CO 0.14 0.10 -0.16 -0.75 -3.33 0.00 0.00 175.10 171.11 3juy s LYS 19 N 0.48 2.76 -0.17 1.54 2.20 -1.26 -1.38 119.74 123.91 3juy s LYS 19 Ca -0.05 -0.99 -0.05 0.00 -0.36 0.00 0.00 55.97 54.52 3juy s LYS 19 Cb -0.07 -2.71 -0.03 0.00 -1.51 0.00 0.00 37.83 33.51 3juy s LYS 19 CO -0.01 -0.33 0.00 0.08 -0.36 0.00 0.00 175.35 174.73 3juy s VAL 20 N 1.24 4.23 0.27 4.02 1.01 0.39 -4.94 120.40 126.62 3juy s VAL 20 Ca 0.00 -0.23 0.06 0.00 0.00 0.00 0.00 61.98 61.81 3juy s VAL 20 Cb -0.15 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 3juy s VAL 20 CO -0.10 0.48 0.30 -0.94 0.00 0.00 0.00 175.10 174.84 3juy s SER 21 N 0.41 5.80 -0.27 3.32 1.04 -1.26 -1.37 113.70 121.36 3juy s SER 21 Ca -0.01 -0.18 -0.00 0.00 0.48 0.00 0.00 55.95 56.23 3juy s SER 21 Cb -0.14 -1.44 0.14 0.00 0.10 0.00 0.00 66.02 64.69 3juy s SER 21 CO 0.02 -0.16 0.37 0.00 0.98 0.00 0.00 173.24 174.45 3juy s GLN 23 N 2.50 4.05 -0.10 0.00 0.74 -0.31 -0.77 119.66 125.77 3juy s GLN 23 Ca 0.10 -0.29 -0.07 0.00 0.05 0.00 0.00 55.36 55.15 3juy s GLN 23 Cb -0.14 -3.42 -0.04 0.00 1.10 0.00 0.00 33.01 30.51 3juy s GLN 23 CO -0.26 0.14 0.17 0.00 -0.55 0.00 0.00 175.29 174.80 3juy s ALA 24 N 0.79 3.87 0.07 1.58 0.00 -0.10 -0.89 121.76 127.07 3juy s ALA 24 Ca 0.06 -0.62 0.03 0.00 0.00 0.00 0.00 51.96 51.43 3juy s ALA 24 Cb -0.13 -1.99 -0.03 0.00 0.00 0.00 0.00 23.12 20.97 3juy s ALA 24 CO 0.02 0.62 -0.08 -1.54 0.00 0.00 0.00 175.76 174.78 3juy s SER 25 N -1.14 1.10 0.00 0.00 1.04 -0.60 -4.88 113.70 109.22 3juy s SER 25 Ca 0.17 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.89 3juy s SER 25 Cb -0.12 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.03 3juy s SER 25 CO 0.06 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.63 3juy n GLY 26 N 0.93 0.93 3.83 7.32 0.00 -1.26 -1.50 105.19 115.44 3juy n GLY 26 Ca -0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 46.02 45.77 3juy n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3juy s TYR 27 N -2.00 0.00 -0.45 1.61 -0.85 -1.26 -4.18 117.35 110.22 3juy s TYR 27 Ca 0.00 -0.25 -0.27 0.00 -0.52 0.00 0.00 57.07 56.03 3juy s TYR 27 Cb 0.00 0.62 0.03 0.00 0.38 0.00 0.00 41.96 42.99 3juy s TYR 27 CO 0.00 -0.60 1.02 0.50 -1.52 0.00 0.00 175.55 174.95 3juy s ARG 28 N -2.36 3.66 0.40 -3.49 3.52 -1.26 -4.92 118.95 114.51 3juy s ARG 28 Ca 0.21 0.40 0.08 0.00 -0.13 0.00 0.00 55.73 56.28 3juy s ARG 28 Cb -0.00 -3.90 0.85 0.00 -1.56 0.00 0.00 34.95 30.33 3juy s ARG 28 CO 0.01 -1.24 2.02 0.35 -0.81 0.00 0.00 175.30 175.63 3juy h PHE 29 N 9.03 0.58 -0.01 5.12 3.57 -1.94 -2.45 116.94 130.84 3juy h PHE 29 Ca -0.23 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.28 3juy h PHE 29 Cb 1.07 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.62 3juy h PHE 29 CO 0.91 0.34 -0.14 -1.13 -2.23 0.00 0.00 178.31 176.05 3juy n SER 30 N -4.47 1.04 -0.82 0.41 3.41 -1.26 -3.58 113.62 108.35 3juy n SER 30 Ca 0.06 -1.03 0.12 0.00 -0.26 0.00 0.00 58.87 57.76 3juy n SER 30 Cb 0.14 0.05 0.29 0.00 -0.26 0.00 0.00 64.21 64.43 3juy n SER 30 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3juy n HIS 31 N -0.46 0.21 -3.85 7.33 8.25 -0.92 -3.12 115.22 122.67 3juy n HIS 31 Ca 0.15 -0.11 -0.20 0.00 -0.26 0.00 0.00 57.72 57.30 3juy n HIS 31 Cb 0.33 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.27 3juy n HIS 31 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3juy s PHE 32 N -1.79 0.48 0.45 4.41 0.08 -1.23 -5.06 117.98 115.32 3juy s PHE 32 Ca 0.34 -0.06 -0.25 0.00 0.12 0.00 0.00 56.93 57.08 3juy s PHE 32 Cb 0.20 -0.62 -0.08 0.00 -0.57 0.00 0.00 43.02 41.95 3juy s PHE 32 CO 0.30 -0.23 1.38 0.99 -0.10 0.00 0.00 175.22 177.56 3juy s THR 33 N 1.61 2.25 -0.21 0.64 2.01 -1.26 -4.54 115.64 116.14 3juy s THR 33 Ca -0.01 0.22 -0.04 0.00 0.31 0.00 0.00 61.69 62.17 3juy s THR 33 Cb -0.13 -3.13 -0.02 0.00 0.01 0.00 0.00 72.50 69.24 3juy s THR 33 CO -0.03 0.03 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.21 3juy s VAL 34 N -1.24 3.67 0.39 3.82 1.01 -0.15 -1.15 120.40 126.74 3juy s VAL 34 Ca 0.61 -0.40 -0.17 0.00 0.00 0.00 0.00 61.98 62.01 3juy s VAL 34 Cb -0.41 -2.66 -0.09 0.00 0.00 0.00 0.00 36.38 33.21 3juy s VAL 34 CO 0.53 0.43 0.85 -1.00 0.00 0.00 0.00 175.10 175.90 3juy s HIS 35 N 1.21 3.36 -0.08 5.22 3.76 0.28 -1.29 115.29 127.75 3juy s HIS 35 Ca 0.03 1.38 0.04 0.00 -0.15 0.00 0.00 55.06 56.36 3juy s HIS 35 Cb -0.14 -2.68 -0.01 0.00 1.11 0.00 0.00 32.58 30.85 3juy s HIS 35 CO 0.00 -0.05 -0.19 -1.58 -0.85 0.00 0.00 174.74 172.07 3juy s TRP 36 N -2.15 2.61 -0.02 1.40 0.52 0.14 -1.61 118.94 119.82 3juy s TRP 36 Ca 0.58 -0.60 -0.07 0.00 0.02 0.00 0.00 56.10 56.03 3juy s TRP 36 Cb -0.10 -1.68 0.01 0.00 -1.15 0.00 0.00 33.47 30.55 3juy s TRP 36 CO 0.18 -0.14 0.15 0.08 0.02 0.00 0.00 176.95 177.24 3juy s VAL 37 N -0.11 0.05 0.15 4.03 1.01 -0.29 -0.97 120.40 124.26 3juy s VAL 37 Ca -0.03 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.56 3juy s VAL 37 Cb -0.14 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 3juy s VAL 37 CO 0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 175.10 174.89 3juy s ARG 38 N -0.77 1.01 -0.15 2.72 1.70 -0.08 0.45 118.95 123.82 3juy s ARG 38 Ca -0.09 -1.46 -0.05 0.00 -0.47 0.00 0.00 55.73 53.67 3juy s ARG 38 Cb -0.05 -0.25 0.06 0.00 -0.57 0.00 0.00 34.95 34.14 3juy s ARG 38 CO 0.01 -0.09 0.08 -1.14 -1.08 0.00 0.00 175.30 173.09 3juy s GLN 39 N -3.88 0.06 0.32 3.89 0.74 -0.12 -0.03 119.66 120.64 3juy s GLN 39 Ca 0.20 -0.03 -0.27 0.00 0.05 0.00 0.00 55.36 55.31 3juy s GLN 39 Cb 0.06 -1.67 -0.10 0.00 1.10 0.00 0.00 33.01 32.40 3juy s GLN 39 CO 0.01 -0.62 0.97 0.00 -0.55 0.00 0.00 175.29 175.09 3juy s ALA 40 N 2.14 3.22 -0.11 1.58 0.00 -1.26 -1.55 121.76 125.78 3juy s ALA 40 Ca 0.02 0.58 -0.34 0.00 0.00 0.00 0.00 51.96 52.23 3juy s ALA 40 Cb -0.16 -3.21 -0.16 0.00 0.00 0.00 0.00 23.12 19.60 3juy s ALA 40 CO -0.08 0.11 0.98 -2.30 0.00 0.00 0.00 175.76 174.47 3juy n PRO 41 N 0.64 0.00 -4.06 0.00 -0.02 -1.26 -1.19 135.00 129.11 3juy n PRO 41 Ca 0.02 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.19 3juy n PRO 41 Cb 0.49 -1.21 -0.02 0.00 -0.02 0.00 0.00 33.50 32.75 3juy n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3juy n GLY 42 N 1.75 -0.35 3.32 -1.23 0.00 -1.26 -4.99 105.19 102.43 3juy n GLY 42 Ca 0.18 0.15 -0.16 0.00 0.00 0.00 0.00 46.02 46.19 3juy n GLY 42 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3juy s GLN 43 N -6.72 1.37 0.69 1.61 -1.52 -0.33 -5.15 119.66 109.62 3juy s GLN 43 Ca 0.38 -1.73 -0.15 0.00 -1.95 0.00 0.00 55.36 51.92 3juy s GLN 43 Cb -0.21 -0.36 0.02 0.00 -0.22 0.00 0.00 33.01 32.24 3juy s GLN 43 CO 0.90 -0.23 1.14 1.03 -0.25 0.00 0.00 175.29 177.88 3juy s ARG 44 N -3.98 2.53 0.45 2.91 0.52 -1.26 -4.73 118.95 115.40 3juy s ARG 44 Ca 0.34 1.51 -0.24 0.00 -0.52 0.00 0.00 55.73 56.82 3juy s ARG 44 Cb 0.07 -1.91 -0.09 0.00 0.52 0.00 0.00 34.95 33.55 3juy s ARG 44 CO 0.12 -1.48 1.14 1.19 0.02 0.00 0.00 175.30 176.29 3juy n PHE 45 N -2.58 1.63 -3.79 -0.53 3.01 -1.26 -4.53 117.46 109.41 3juy n PHE 45 Ca 0.11 0.51 -0.26 0.00 1.01 0.00 0.00 57.45 58.82 3juy n PHE 45 Cb 0.51 -2.29 -0.17 0.00 -0.01 0.00 0.00 39.48 37.52 3juy n PHE 45 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 3juy s GLU 46 N -2.26 0.82 0.12 -1.08 2.12 0.96 -4.51 118.70 114.87 3juy s GLU 46 Ca 0.64 -0.22 -0.30 0.00 0.36 0.00 0.00 54.97 55.45 3juy s GLU 46 Cb -0.51 -1.62 -0.07 0.00 0.26 0.00 0.00 34.13 32.20 3juy s GLU 46 CO 0.55 -0.45 1.17 -0.46 -0.54 0.00 0.00 175.26 175.54 3juy s TRP 47 N 1.86 3.47 -0.21 5.30 -0.00 -1.26 -0.90 118.94 127.20 3juy s TRP 47 Ca 0.02 1.41 0.10 0.00 -0.00 0.00 0.00 56.10 57.63 3juy s TRP 47 Cb -0.15 -3.39 -0.20 0.00 -0.00 0.00 0.00 33.47 29.74 3juy s TRP 47 CO -0.07 -1.09 -0.05 -1.33 -0.00 0.00 0.00 176.95 174.41 3juy n MET 48 N 3.19 0.80 0.00 5.86 2.81 -0.14 -4.72 117.12 124.91 3juy n MET 48 Ca 0.06 0.05 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 3juy n MET 48 Cb 0.46 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.49 3juy n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3juy n GLY 49 N 2.06 2.72 3.34 3.03 0.00 -1.16 -1.61 105.19 113.58 3juy n GLY 49 Ca -0.36 -1.24 -0.18 0.00 0.00 0.00 0.00 46.02 44.24 3juy n GLY 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3juy s TRP 50 N -2.00 1.70 -0.00 1.61 1.48 -0.75 0.23 118.94 121.21 3juy s TRP 50 Ca 0.00 -0.58 0.05 0.00 -1.06 0.00 0.00 56.10 54.51 3juy s TRP 50 Cb 0.00 -0.79 -0.01 0.00 -1.16 0.00 0.00 33.47 31.51 3juy s TRP 50 CO 0.00 0.35 -0.15 -1.50 -4.06 0.00 0.00 176.95 171.59 3juy s ILE 51 N -2.98 1.18 -0.35 0.66 2.07 -0.41 -1.22 121.20 120.15 3juy s ILE 51 Ca 0.22 -0.70 -0.06 0.00 -1.41 0.00 0.00 60.65 58.70 3juy s ILE 51 Cb -0.01 -1.00 0.05 0.00 0.13 0.00 0.00 42.46 41.64 3juy s ILE 51 CO 0.07 0.29 0.13 0.21 -1.91 0.00 0.00 174.94 173.72 3juy s ASN 52 N -0.48 5.32 0.28 4.50 3.84 0.05 -0.98 114.94 127.47 3juy s ASN 52 Ca 0.05 -1.27 0.25 0.00 0.21 0.00 0.00 52.86 52.09 3juy s ASN 52 Cb -0.06 -1.87 0.99 0.00 -0.55 0.00 0.00 41.25 39.76 3juy s ASN 52 CO -0.00 -0.37 1.74 -0.65 -2.79 0.00 0.00 177.10 175.03 3juy h PRO 53 N 8.21 0.00 -0.40 0.43 0.11 -1.81 -0.25 132.00 138.29 3juy h PRO 53 Ca -0.22 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.82 3juy h PRO 53 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3juy h PRO 53 CO 0.63 0.00 -0.00 -0.92 -0.21 0.00 0.00 178.00 177.49 3juy h TYR 54 N 0.00 0.78 0.00 0.65 3.20 -1.90 -3.37 116.97 116.33 3juy h TYR 54 Ca 0.00 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.73 3juy h TYR 54 Cb 0.42 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.48 3juy h TYR 54 CO 0.00 0.79 0.00 0.27 -1.64 0.00 0.00 178.16 177.58 3juy n ASN 55 N -4.43 0.43 0.00 -2.11 0.23 -1.15 -5.02 115.26 103.20 3juy n ASN 55 Ca -0.01 -0.85 0.00 0.00 -0.53 0.00 0.00 54.58 53.19 3juy n ASN 55 Cb 0.29 0.11 0.00 0.00 -2.08 0.00 0.00 39.78 38.10 3juy n ASN 55 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3juy n GLY 56 N 0.11 1.16 3.64 4.83 0.00 -0.11 -5.02 105.19 109.79 3juy n GLY 56 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 3juy n GLY 56 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3juy n ASN 57 N 0.00 2.09 -4.04 1.61 3.02 -1.24 -4.76 115.26 111.93 3juy n ASN 57 Ca 0.00 1.18 -0.15 0.00 -0.03 0.00 0.00 54.58 55.58 3juy n ASN 57 Cb 0.00 -1.38 -0.12 0.00 -0.61 0.00 0.00 39.78 37.67 3juy n ASN 57 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3juy s LYS 58 N -1.41 0.55 -0.04 3.52 1.02 -1.26 -0.77 119.74 121.35 3juy s LYS 58 Ca 0.60 -0.60 0.03 0.00 0.02 0.00 0.00 55.97 56.03 3juy s LYS 58 Cb -0.65 -0.41 0.00 0.00 -0.52 0.00 0.00 37.83 36.25 3juy s LYS 58 CO 0.59 0.09 -0.13 -2.00 -0.92 0.00 0.00 175.35 172.98 3juy s GLU 59 N -1.11 1.36 -0.08 1.68 2.56 -0.36 -5.00 118.70 117.76 3juy s GLU 59 Ca -0.05 -0.44 0.04 0.00 0.00 0.00 0.00 54.97 54.52 3juy s GLU 59 Cb -0.07 -1.21 0.00 0.00 2.00 0.00 0.00 34.13 34.84 3juy s GLU 59 CO 0.00 0.16 -0.20 -0.06 -0.56 0.00 0.00 175.26 174.60 3juy s PHE 60 N 0.17 2.15 0.35 5.30 0.40 -1.26 -1.81 117.98 123.28 3juy s PHE 60 Ca -0.04 -0.79 -0.28 0.00 -0.60 0.00 0.00 56.93 55.22 3juy s PHE 60 Cb -0.10 -1.45 -0.12 0.00 0.51 0.00 0.00 43.02 41.86 3juy s PHE 60 CO 0.01 -0.31 1.45 0.45 0.70 0.00 0.00 175.22 177.52 3juy n SER 61 N 3.42 3.51 -0.01 1.36 2.88 -0.63 -4.84 113.62 119.31 3juy n SER 61 Ca -0.19 1.21 0.03 0.00 -1.33 0.00 0.00 58.87 58.59 3juy n SER 61 Cb 0.53 -1.58 0.40 0.00 -0.75 0.00 0.00 64.21 62.81 3juy n SER 61 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3juy h ALA 62 N 3.14 1.64 -0.12 -1.46 0.00 -1.94 -1.04 119.26 119.49 3juy h ALA 62 Ca -0.49 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.40 3juy h ALA 62 Cb 1.25 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 3juy h ALA 62 CO 0.66 0.31 0.12 -0.22 0.00 0.00 0.00 179.25 180.12 3juy h LYS 63 N 0.56 0.00 0.00 0.00 3.64 -1.95 -3.25 116.57 115.57 3juy h LYS 63 Ca 0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3juy h LYS 63 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3juy h LYS 63 CO -0.03 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.34 3juy n PHE 64 N -3.93 0.00 -0.36 1.91 3.01 -0.69 -4.80 117.46 112.61 3juy n PHE 64 Ca -0.00 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.49 3juy n PHE 64 Cb 0.23 0.00 0.19 0.00 -0.01 0.00 0.00 39.48 39.89 3juy n PHE 64 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 3juy h GLN 65 N 0.00 1.12 -0.70 -1.08 -0.00 -1.26 -1.29 115.11 111.89 3juy h GLN 65 Ca 0.00 -0.07 -0.02 0.00 -0.00 0.00 0.00 58.65 58.56 3juy h GLN 65 Cb 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 27.48 27.20 3juy h GLN 65 CO 0.00 0.74 0.34 0.22 0.00 0.00 0.00 178.83 180.13 3juy h ASP 66 N 1.15 0.90 -0.17 -0.69 -0.00 -1.87 -3.33 116.42 112.41 3juy h ASP 66 Ca 0.43 -0.09 0.00 0.00 -0.00 0.00 0.00 57.03 57.36 3juy h ASP 66 Cb 0.18 -0.23 0.00 0.00 -0.00 0.00 0.00 39.33 39.28 3juy h ASP 66 CO -0.17 0.76 0.00 0.54 -0.00 0.00 0.00 179.24 180.37 3juy n ARG 67 N -4.34 1.63 -4.26 0.28 1.74 -0.55 -5.01 116.66 106.16 3juy n ARG 67 Ca 0.07 -1.56 -0.21 0.00 -0.77 0.00 0.00 57.85 55.38 3juy n ARG 67 Cb 0.13 -1.23 -0.12 0.00 -1.02 0.00 0.00 32.46 30.22 3juy n ARG 67 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3juy s VAL 68 N -0.94 1.38 -0.05 1.55 0.11 -0.85 -1.16 120.40 120.45 3juy s VAL 68 Ca 0.17 -1.37 -0.02 0.00 -2.93 0.00 0.00 61.98 57.84 3juy s VAL 68 Cb 0.10 -1.28 0.03 0.00 -1.53 0.00 0.00 36.38 33.70 3juy s VAL 68 CO 0.14 -0.11 0.04 0.28 -3.33 0.00 0.00 175.10 172.11 3juy s THR 69 N -1.16 0.06 -0.10 5.04 -1.32 -0.24 -4.89 115.64 113.03 3juy s THR 69 Ca 0.02 0.31 -0.12 0.00 -1.21 0.00 0.00 61.69 60.70 3juy s THR 69 Cb -0.10 -0.27 -0.05 0.00 -1.51 0.00 0.00 72.50 70.57 3juy s THR 69 CO 0.03 0.20 0.27 -0.36 -2.21 0.00 0.00 174.62 172.55 3juy s PHE 70 N 2.03 3.60 0.20 9.09 0.40 -1.26 -1.44 117.98 130.59 3juy s PHE 70 Ca 0.04 0.69 -0.01 0.00 -0.60 0.00 0.00 56.93 57.05 3juy s PHE 70 Cb -0.12 -2.18 -0.04 0.00 0.51 0.00 0.00 43.02 41.19 3juy s PHE 70 CO -0.04 0.55 0.12 0.95 0.70 0.00 0.00 175.22 177.50 3juy s THR 71 N -0.56 0.03 0.02 0.64 -4.23 -0.89 -5.00 115.64 105.64 3juy s THR 71 Ca 0.18 -1.99 -0.06 0.00 -1.18 0.00 0.00 61.69 58.63 3juy s THR 71 Cb -0.14 -2.48 -0.00 0.00 1.34 0.00 0.00 72.50 71.22 3juy s THR 71 CO 0.07 -0.03 0.11 0.00 -0.54 0.00 0.00 174.62 174.23 3juy s ALA 72 N -4.14 -0.21 -0.40 3.99 0.00 -1.26 -0.47 121.76 119.27 3juy s ALA 72 Ca 0.38 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 52.05 3juy s ALA 72 Cb 0.07 0.16 0.14 0.00 0.00 0.00 0.00 23.12 23.50 3juy s ALA 72 CO 0.11 -0.24 0.25 0.34 0.00 0.00 0.00 175.76 176.22 3juy s ASP 73 N -1.65 3.04 0.39 0.00 -1.08 0.16 -4.99 116.67 112.55 3juy s ASP 73 Ca -0.12 -2.53 0.19 0.00 -0.52 0.00 0.00 52.55 49.58 3juy s ASP 73 Cb -0.06 -0.67 0.79 0.00 -1.46 0.00 0.00 42.92 41.52 3juy s ASP 73 CO -0.01 -0.27 1.79 0.71 0.52 0.00 0.00 175.17 177.92 3juy h THR 74 N 5.02 0.93 -0.78 1.71 1.35 -1.95 0.12 112.91 119.30 3juy h THR 74 Ca 0.07 -1.36 -0.01 0.00 -0.55 0.00 0.00 66.41 64.56 3juy h THR 74 Cb 0.94 1.81 -0.04 0.00 -1.73 0.00 0.00 68.15 69.13 3juy h THR 74 CO 0.37 0.34 0.44 0.77 -0.25 0.00 0.00 175.52 177.19 3juy h SER 75 N 0.00 0.95 0.35 5.36 4.64 -1.95 -2.59 113.55 120.30 3juy h SER 75 Ca -0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3juy h SER 75 Cb 0.78 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3juy h SER 75 CO 0.05 0.75 -0.25 0.00 -0.87 0.00 0.00 176.83 176.51 3juy n ALA 76 N -2.42 3.04 -2.63 5.18 0.00 0.20 -4.93 120.51 118.94 3juy n ALA 76 Ca 0.08 -0.34 -0.21 0.00 0.00 0.00 0.00 53.44 52.97 3juy n ALA 76 Cb 0.08 -1.20 0.01 0.00 0.00 0.00 0.00 19.45 18.34 3juy n ALA 76 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3juy n ASN 77 N -0.91 -5.84 -4.14 0.00 4.13 0.03 -4.82 115.26 103.71 3juy n ASN 77 Ca 0.11 -0.13 -0.25 0.00 1.68 0.00 0.00 54.58 56.00 3juy n ASN 77 Cb 0.33 -4.78 -0.16 0.00 -1.54 0.00 0.00 39.78 33.63 3juy n ASN 77 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3juy s THR 78 N -3.07 1.37 -0.04 3.41 2.01 -0.94 -0.93 115.64 117.45 3juy s THR 78 Ca 0.12 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 61.44 3juy s THR 78 Cb -0.05 -1.17 -0.03 0.00 0.01 0.00 0.00 72.50 71.26 3juy s THR 78 CO 0.15 0.39 -0.08 0.00 -0.69 0.00 0.00 174.62 174.39 3juy s ALA 79 N -0.12 2.94 0.15 7.40 0.00 0.05 0.38 121.76 132.56 3juy s ALA 79 Ca 0.00 -0.94 0.09 0.00 0.00 0.00 0.00 51.96 51.11 3juy s ALA 79 Cb -0.10 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 3juy s ALA 79 CO 0.01 0.58 -0.21 0.71 0.00 0.00 0.00 175.76 176.86 3juy s TYR 80 N -0.85 1.92 -0.03 0.00 1.51 0.38 -1.05 117.35 119.24 3juy s TYR 80 Ca 0.14 -0.43 -0.01 0.00 -1.01 0.00 0.00 57.07 55.76 3juy s TYR 80 Cb -0.11 -0.99 0.03 0.00 -0.11 0.00 0.00 41.96 40.78 3juy s TYR 80 CO 0.03 0.32 0.05 1.41 -1.11 0.00 0.00 175.55 176.24 3juy s MET 81 N -2.45 -0.01 -0.06 -0.62 1.75 -0.47 -2.10 119.30 115.34 3juy s MET 81 Ca 0.13 0.20 0.03 0.00 -1.25 0.00 0.00 55.69 54.80 3juy s MET 81 Cb -0.08 -0.21 0.01 0.00 2.84 0.00 0.00 34.83 37.39 3juy s MET 81 CO 0.06 -0.15 -0.14 -2.00 -0.65 0.00 0.00 175.02 172.14 3juy s GLU 82 N 0.97 1.75 -0.14 4.11 2.12 -0.52 -0.46 118.70 126.53 3juy s GLU 82 Ca -0.08 -0.48 0.02 0.00 0.36 0.00 0.00 54.97 54.79 3juy s GLU 82 Cb -0.11 -1.46 0.01 0.00 0.26 0.00 0.00 34.13 32.83 3juy s GLU 82 CO -0.03 0.10 -0.22 -1.17 -0.54 0.00 0.00 175.26 173.40 3juy s LEU 83 N 0.45 2.14 0.43 2.70 2.96 -0.48 -1.08 118.68 125.80 3juy s LEU 83 Ca -0.11 -0.59 0.08 0.00 -0.22 0.00 0.00 54.13 53.29 3juy s LEU 83 Cb -0.14 -1.45 0.01 0.00 0.50 0.00 0.00 46.19 45.11 3juy s LEU 83 CO 0.03 0.09 0.57 0.00 -1.32 0.00 0.00 176.35 175.72 3juy s ARG 84 N 0.76 2.78 -1.50 1.98 1.70 -0.30 -1.12 118.95 123.25 3juy s ARG 84 Ca -0.08 -1.28 -0.11 0.00 -0.47 0.00 0.00 55.73 53.79 3juy s ARG 84 Cb -0.16 -2.73 0.07 0.00 -0.57 0.00 0.00 34.95 31.57 3juy s ARG 84 CO -0.01 -0.29 0.87 0.43 -1.08 0.00 0.00 175.30 175.21 3juy n SER 85 N -1.85 -3.60 -4.54 -2.89 7.64 -0.99 -4.86 113.62 102.52 3juy n SER 85 Ca 0.08 -0.83 -0.44 0.00 1.01 0.00 0.00 58.87 58.69 3juy n SER 85 Cb 0.59 -3.72 -0.01 0.00 -1.01 0.00 0.00 64.21 60.07 3juy n SER 85 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3juy n LEU 86 N -4.55 1.14 -4.31 -3.43 4.77 0.39 -4.58 117.00 106.42 3juy n LEU 86 Ca -0.04 1.11 -0.18 0.00 -0.03 0.00 0.00 56.01 56.86 3juy n LEU 86 Cb 0.56 -1.22 -0.09 0.00 -2.33 0.00 0.00 43.42 40.35 3juy n LEU 86 CO 0.76 -1.89 -0.17 0.00 -1.33 0.00 0.00 177.39 174.75 3juy s ARG 87 N -1.53 1.62 0.22 3.23 1.70 -1.26 -1.47 118.95 121.45 3juy s ARG 87 Ca 0.61 -1.93 -0.10 0.00 -0.47 0.00 0.00 55.73 53.84 3juy s ARG 87 Cb -0.70 0.07 0.31 0.00 -0.57 0.00 0.00 34.95 34.07 3juy s ARG 87 CO 0.59 -0.52 1.65 0.77 -1.08 0.00 0.00 175.30 176.71 3juy h SER 88 N 2.22 -0.34 0.00 -2.89 0.02 -1.90 0.27 113.55 110.93 3juy h SER 88 Ca -0.31 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 3juy h SER 88 Cb 1.25 0.31 0.00 0.00 0.14 0.00 0.00 62.40 64.09 3juy h SER 88 CO 0.47 -0.14 0.00 0.00 -1.14 0.00 0.00 176.83 176.01 3juy n ALA 89 N -2.87 1.97 0.95 3.77 0.00 -1.26 -1.48 120.51 121.59 3juy n ALA 89 Ca 0.10 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.63 3juy n ALA 89 Cb 0.37 -1.04 0.01 0.00 0.00 0.00 0.00 19.45 18.80 3juy n ALA 89 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3juy n ASP 90 N -0.58 2.13 -4.68 0.00 8.00 0.09 -4.90 116.55 116.61 3juy n ASP 90 Ca 0.02 -1.57 -0.42 0.00 0.71 0.00 0.00 54.79 53.53 3juy n ASP 90 Cb 0.01 0.39 -0.03 0.00 -0.02 0.00 0.00 41.12 41.47 3juy n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3juy s THR 91 N -2.30 2.95 0.06 -3.53 2.01 -0.55 -4.84 115.64 109.44 3juy s THR 91 Ca 0.19 0.27 -0.28 0.00 0.31 0.00 0.00 61.69 62.18 3juy s THR 91 Cb 0.18 -3.17 0.10 0.00 0.01 0.00 0.00 72.50 69.61 3juy s THR 91 CO 0.50 -0.01 1.17 0.00 -0.69 0.00 0.00 174.62 175.59 3juy s ALA 92 N 3.32 -2.03 -0.21 7.40 0.00 -0.92 -4.29 121.76 125.04 3juy s ALA 92 Ca 0.80 0.31 -0.12 0.00 0.00 0.00 0.00 51.96 52.94 3juy s ALA 92 Cb -0.41 0.56 -0.05 0.00 0.00 0.00 0.00 23.12 23.22 3juy s ALA 92 CO 0.35 -1.07 0.24 0.08 0.00 0.00 0.00 175.76 175.37 3juy s VAL 93 N -2.55 5.32 -0.20 0.00 1.01 -0.59 -1.37 120.40 122.01 3juy s VAL 93 Ca 0.17 0.38 -0.09 0.00 0.00 0.00 0.00 61.98 62.44 3juy s VAL 93 Cb 0.01 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 3juy s VAL 93 CO -0.01 0.35 0.10 -0.31 0.00 0.00 0.00 175.10 175.23 3juy s TYR 94 N 0.87 3.30 0.06 5.22 1.51 0.47 -0.95 117.35 127.84 3juy s TYR 94 Ca 0.12 0.15 0.09 0.00 -1.01 0.00 0.00 57.07 56.41 3juy s TYR 94 Cb -0.13 -2.14 -0.03 0.00 -0.11 0.00 0.00 41.96 39.54 3juy s TYR 94 CO 0.04 0.15 -0.23 0.71 -1.11 0.00 0.00 175.55 175.12 3juy s TYR 95 N 0.54 2.43 0.13 2.71 2.02 0.17 -1.10 117.35 124.26 3juy s TYR 95 Ca 0.05 -0.34 0.04 0.00 -0.37 0.00 0.00 57.07 56.46 3juy s TYR 95 Cb -0.12 -1.40 -0.04 0.00 -0.40 0.00 0.00 41.96 40.00 3juy s TYR 95 CO 0.00 0.23 0.13 0.00 -1.57 0.00 0.00 175.55 174.35 3juy s ALA 97 N -1.62 -0.97 -0.00 0.00 0.00 -0.63 -0.98 121.76 117.56 3juy s ALA 97 Ca 0.31 1.28 -0.13 0.00 0.00 0.00 0.00 51.96 53.41 3juy s ALA 97 Cb -0.11 -0.76 -0.06 0.00 0.00 0.00 0.00 23.12 22.19 3juy s ALA 97 CO 0.24 -0.22 0.38 0.50 0.00 0.00 0.00 175.76 176.66 3juy s ARG 98 N 0.82 3.85 1.19 0.00 3.52 -0.15 0.99 118.95 129.17 3juy s ARG 98 Ca -0.05 0.33 -0.17 0.00 -0.13 0.00 0.00 55.73 55.71 3juy s ARG 98 Cb -0.06 -3.19 0.28 0.00 -1.56 0.00 0.00 34.95 30.42 3juy s ARG 98 CO -0.06 0.68 1.06 0.14 -0.81 0.00 0.00 175.30 176.31 3juy s VAL 99 N -1.12 1.69 0.78 7.11 -7.23 -0.30 -0.83 120.40 120.50 3juy s VAL 99 Ca 0.24 0.00 -0.12 0.00 -1.81 0.00 0.00 61.98 60.29 3juy s VAL 99 Cb -0.16 -2.35 0.06 0.00 0.56 0.00 0.00 36.38 34.49 3juy s VAL 99 CO 0.13 0.00 1.13 -0.83 -0.31 0.00 0.00 175.10 175.22 3juy s GLY 100 N -3.45 1.61 0.42 2.32 0.00 0.11 -4.48 107.32 103.85 3juy s GLY 100 Ca 0.69 -0.45 -0.23 0.00 0.00 0.00 0.00 44.72 44.73 3juy s GLY 100 CO 0.58 -0.01 1.05 1.85 0.00 0.00 0.00 173.10 176.57 3juy s GLU 101 N -5.40 4.08 0.17 2.90 2.12 -1.26 -4.87 118.70 116.43 3juy s GLU 101 Ca 0.60 1.48 -0.31 0.00 0.36 0.00 0.00 54.97 57.11 3juy s GLU 101 Cb -0.12 -2.44 -0.09 0.00 0.26 0.00 0.00 34.13 31.74 3juy s GLU 101 CO 0.51 -0.21 1.49 -0.46 -0.54 0.00 0.00 175.26 176.05 3juy s TRP 102 N -1.73 3.11 0.08 5.30 -0.00 -1.26 -4.87 118.94 119.58 3juy s TRP 102 Ca 0.60 0.81 -0.15 0.00 -0.00 0.00 0.00 56.10 57.36 3juy s TRP 102 Cb -0.21 -3.83 -0.06 0.00 -0.00 0.00 0.00 33.47 29.37 3juy s TRP 102 CO 0.26 -2.94 0.50 0.20 -0.00 0.00 0.00 176.95 174.96 3juy s GLY 103 N 0.96 2.50 0.40 5.86 0.00 -1.26 -4.97 107.32 110.80 3juy s GLY 103 Ca 0.66 -0.15 0.22 0.00 0.00 0.00 0.00 44.72 45.46 3juy s GLY 103 CO 0.33 0.18 1.65 1.49 0.00 0.00 0.00 173.10 176.76 3juy h TRP 104 N 4.11 0.00 0.00 1.90 4.06 -2.04 0.16 115.95 124.14 3juy h TRP 104 Ca -0.50 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.45 3juy h TRP 104 Cb 1.20 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.36 3juy h TRP 104 CO 0.67 0.00 0.00 -0.25 -3.56 0.00 0.00 178.44 175.30 3juy n ASP 105 N -2.35 1.50 -4.77 -3.49 8.00 -1.26 -5.09 116.55 109.09 3juy n ASP 105 Ca -0.01 -1.64 -0.40 0.00 0.71 0.00 0.00 54.79 53.44 3juy n ASP 105 Cb 0.16 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.26 3juy n ASP 105 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3juy s ASP 106 N -0.64 6.36 0.48 -2.24 1.01 0.04 -5.05 116.67 116.62 3juy s ASP 106 Ca 0.00 2.70 -0.01 0.00 0.71 0.00 0.00 52.55 55.95 3juy s ASP 106 Cb 0.00 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.29 3juy s ASP 106 CO 0.00 -0.82 0.71 -0.44 0.21 0.00 0.00 175.17 174.83 3juy s SER 107 N -0.65 5.77 -0.43 0.27 0.01 -1.26 -4.97 113.70 112.43 3juy s SER 107 Ca 0.56 0.33 -0.44 0.00 1.31 0.00 0.00 55.95 57.71 3juy s SER 107 Cb -0.39 -1.52 -0.18 0.00 0.21 0.00 0.00 66.02 64.14 3juy s SER 107 CO 0.51 -0.78 1.75 -2.65 0.41 0.00 0.00 173.24 172.48 3juy n PRO 108 N -2.17 0.39 -0.73 12.44 -0.02 -1.26 -1.48 135.00 142.17 3juy n PRO 108 Ca 0.02 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 3juy n PRO 108 Cb 0.58 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 3juy n PRO 108 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3juy n TYR 109 N 5.21 0.00 0.32 6.00 4.01 -1.26 -4.92 117.16 126.51 3juy n TYR 109 Ca 0.34 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 58.19 3juy n TYR 109 Cb 0.01 0.00 0.52 0.00 -0.31 0.00 0.00 39.34 39.57 3juy n TYR 109 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3juy n ASP 110 N 0.00 0.64 -1.21 7.72 10.43 -0.55 -2.39 116.55 131.18 3juy n ASP 110 Ca 0.00 0.70 0.10 0.00 2.57 0.00 0.00 54.79 58.15 3juy n ASP 110 Cb 0.00 -0.82 0.29 0.00 1.84 0.00 0.00 41.12 42.43 3juy n ASP 110 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 3juy n ASN 111 N -2.25 3.90 -1.42 -2.24 6.94 -1.26 -4.60 115.26 114.34 3juy n ASN 111 Ca 0.01 -2.15 -0.03 0.00 -0.02 0.00 0.00 54.58 52.38 3juy n ASN 111 Cb 0.16 -0.45 0.17 0.00 -2.36 0.00 0.00 39.78 37.30 3juy n ASN 111 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 3juy n TYR 112 N 1.15 1.34 -1.51 -2.53 4.02 -1.01 0.05 117.16 118.67 3juy n TYR 112 Ca 0.22 -0.74 -0.29 0.00 -0.01 0.00 0.00 57.90 57.08 3juy n TYR 112 Cb 0.65 -0.45 0.12 0.00 -0.02 0.00 0.00 39.34 39.64 3juy n TYR 112 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 176.86 177.37 3juy s TYR 113 N -1.86 2.62 -0.74 -0.72 1.13 -1.26 -4.70 117.35 111.82 3juy s TYR 113 Ca 0.30 1.01 -0.23 0.00 -1.41 0.00 0.00 57.07 56.74 3juy s TYR 113 Cb 0.24 -3.26 0.07 0.00 -1.10 0.00 0.00 41.96 37.91 3juy s TYR 113 CO 0.07 -2.14 1.07 -1.64 -2.51 0.00 0.00 175.55 170.41 3juy s MET 114 N -5.19 3.23 0.08 -3.49 -1.94 -1.26 -3.69 119.30 107.03 3juy s MET 114 Ca 0.63 -0.90 -0.08 0.00 -1.71 0.00 0.00 55.69 53.62 3juy s MET 114 Cb -0.15 -4.40 -0.25 0.00 2.01 0.00 0.00 34.83 32.04 3juy s MET 114 CO 0.54 -1.89 1.15 0.22 -0.01 0.00 0.00 175.02 175.03 3juy h ASP 115 N 9.55 0.62 -3.45 3.03 3.58 -1.21 -3.42 116.42 125.13 3juy h ASP 115 Ca -0.19 -0.60 -0.34 0.00 0.42 0.00 0.00 57.03 56.32 3juy h ASP 115 Cb 1.06 -0.20 -0.35 0.00 1.72 0.00 0.00 39.33 41.56 3juy h ASP 115 CO 1.20 1.44 -0.74 -0.69 -2.88 0.00 0.00 179.24 177.57 3juy s VAL 116 N -2.87 0.04 0.07 2.25 1.01 -1.12 -4.49 120.40 115.30 3juy s VAL 116 Ca -0.06 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.16 3juy s VAL 116 Cb 0.07 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 36.21 3juy s VAL 116 CO 0.90 0.14 0.04 0.26 0.00 0.00 0.00 175.10 176.44 3juy s TRP 117 N 1.35 3.10 0.73 5.22 0.52 -1.26 -0.98 118.94 127.63 3juy s TRP 117 Ca -0.05 0.04 -0.12 0.00 0.02 0.00 0.00 56.10 55.99 3juy s TRP 117 Cb -0.13 -1.59 0.03 0.00 -1.15 0.00 0.00 33.47 30.63 3juy s TRP 117 CO -0.03 0.50 1.11 0.20 0.02 0.00 0.00 176.95 178.75 3juy s GLY 118 N -2.25 1.62 0.39 0.98 0.00 -0.15 -4.55 107.32 103.36 3juy s GLY 118 Ca 0.27 -0.36 0.28 0.00 0.00 0.00 0.00 44.72 44.91 3juy s GLY 118 CO 0.19 0.03 1.85 0.50 0.00 0.00 0.00 173.10 175.67 3juy h LYS 119 N -0.77 0.00 0.00 2.90 1.57 -1.90 -3.43 116.57 114.94 3juy h LYS 119 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3juy h LYS 119 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 3juy h LYS 119 CO 0.63 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.92 3juy n GLY 120 N -0.25 2.03 3.01 3.86 0.00 -1.26 -4.63 105.19 107.95 3juy n GLY 120 Ca 0.01 -1.79 -0.26 0.00 0.00 0.00 0.00 46.02 43.98 3juy n GLY 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3juy s THR 121 N -2.43 1.24 -0.02 2.61 -4.23 -0.25 -4.91 115.64 107.64 3juy s THR 121 Ca 0.00 -0.50 -0.28 0.00 -1.18 0.00 0.00 61.69 59.73 3juy s THR 121 Cb 0.00 -1.16 -0.03 0.00 1.34 0.00 0.00 72.50 72.65 3juy s THR 121 CO 0.00 0.39 0.91 -0.89 -0.54 0.00 0.00 174.62 174.49 3juy s THR 122 N 0.98 4.91 -0.18 3.99 2.01 -1.26 -0.39 115.64 125.70 3juy s THR 122 Ca -0.08 1.91 0.01 0.00 0.31 0.00 0.00 61.69 63.83 3juy s THR 122 Cb -0.15 -4.25 0.03 0.00 0.01 0.00 0.00 72.50 68.14 3juy s THR 122 CO -0.00 0.18 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.27 3juy s VAL 123 N 0.96 1.79 -0.21 3.82 1.01 -0.47 -1.59 120.40 125.70 3juy s VAL 123 Ca 0.48 -0.91 -0.06 0.00 0.00 0.00 0.00 61.98 61.49 3juy s VAL 123 Cb -0.20 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 3juy s VAL 123 CO 0.25 0.36 0.03 -0.63 0.00 0.00 0.00 175.10 175.12 3juy s ILE 124 N 1.37 4.20 -0.18 2.22 1.01 -0.60 -2.16 121.20 127.06 3juy s ILE 124 Ca 0.02 -0.23 -0.05 0.00 0.00 0.00 0.00 60.65 60.39 3juy s ILE 124 Cb -0.14 -2.92 -0.03 0.00 0.01 0.00 0.00 42.46 39.38 3juy s ILE 124 CO -0.10 0.41 0.01 -0.69 0.00 0.00 0.00 174.94 174.56 3juy s VAL 125 N 1.05 4.20 0.00 2.92 1.01 -1.26 -0.50 120.40 127.83 3juy s VAL 125 Ca 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.77 3juy s VAL 125 Cb -0.14 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.36 3juy s VAL 125 CO 0.02 0.46 0.37 -0.24 0.00 0.00 0.00 175.10 175.71 3juy n SER 126 N 3.78 1.05 -2.79 3.32 2.88 -0.83 -4.72 113.62 116.30 3juy n SER 126 Ca -0.17 -0.88 -0.02 0.00 -1.33 0.00 0.00 58.87 56.47 3juy n SER 126 Cb 0.52 -0.20 0.01 0.00 -0.75 0.00 0.00 64.21 63.80 3juy n SER 126 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 3juy s GLU 143 N 1.05 0.64 0.15 -1.46 1.03 -1.26 -4.59 118.70 114.26 3juy s GLU 143 Ca 0.00 -0.54 -0.30 0.00 0.03 0.00 0.00 54.97 54.16 3juy s GLU 143 Cb 0.00 -0.01 -0.07 0.00 -0.80 0.00 0.00 34.13 33.25 3juy s GLU 143 CO 0.00 -0.82 1.13 0.42 -1.33 0.00 0.00 175.26 174.66 3juy s ILE 144 N 1.17 3.87 -0.11 1.83 1.01 -1.26 -4.97 121.20 122.74 3juy s ILE 144 Ca 0.24 1.55 -0.01 0.00 0.00 0.00 0.00 60.65 62.43 3juy s ILE 144 Cb 0.04 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.50 3juy s ILE 144 CO -0.08 0.24 -0.07 -0.69 0.00 0.00 0.00 174.94 174.33 3juy s VAL 145 N 0.04 3.63 -0.17 2.92 1.01 -1.26 -4.93 120.40 121.64 3juy s VAL 145 Ca 0.52 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.98 3juy s VAL 145 Cb -0.30 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 3juy s VAL 145 CO 0.34 0.55 -0.05 -0.76 0.00 0.00 0.00 175.10 175.19 3juy s LEU 146 N -0.24 3.10 -0.12 3.92 1.43 -1.26 -1.83 118.68 123.67 3juy s LEU 146 Ca 0.03 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 52.93 3juy s LEU 146 Cb -0.13 -1.75 -0.00 0.00 0.03 0.00 0.00 46.19 44.34 3juy s LEU 146 CO 0.03 0.12 -0.20 -0.89 0.23 0.00 0.00 176.35 175.64 3juy s THR 147 N 0.66 2.40 0.14 5.49 2.01 -0.38 -4.35 115.64 121.61 3juy s THR 147 Ca -0.03 -0.88 0.03 0.00 0.31 0.00 0.00 61.69 61.12 3juy s THR 147 Cb -0.15 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.36 3juy s THR 147 CO 0.02 0.54 0.21 -1.10 -0.69 0.00 0.00 174.62 173.61 3juy s GLN 148 N 0.51 3.21 -0.03 4.92 -0.21 -1.26 -1.11 119.66 125.69 3juy s GLN 148 Ca -0.13 -0.69 -0.23 0.00 0.02 0.00 0.00 55.36 54.33 3juy s GLN 148 Cb -0.17 -2.84 0.05 0.00 1.00 0.00 0.00 33.01 31.05 3juy s GLN 148 CO 0.05 0.52 0.51 0.00 -2.12 0.00 0.00 175.29 174.24 3juy s ALA 149 N -1.71 -1.30 0.77 6.09 0.00 -1.09 -4.53 121.76 119.98 3juy s ALA 149 Ca 0.33 0.84 -0.11 0.00 0.00 0.00 0.00 51.96 53.01 3juy s ALA 149 Cb -0.11 0.05 0.05 0.00 0.00 0.00 0.00 23.12 23.11 3juy s ALA 149 CO 0.26 -0.32 1.10 -1.25 0.00 0.00 0.00 175.76 175.55 3juy s PRO 150 N -1.30 2.36 0.43 0.00 0.05 -1.26 -1.50 135.00 133.77 3juy s PRO 150 Ca -0.12 0.54 0.09 0.00 0.05 0.00 0.00 61.00 61.56 3juy s PRO 150 Cb -0.02 -1.96 0.93 0.00 0.05 0.00 0.00 34.50 33.50 3juy s PRO 150 CO 0.07 -1.41 2.06 0.78 0.05 0.00 0.00 177.00 178.55 3juy h GLY 151 N -0.93 0.41 -3.09 0.56 0.00 -1.87 -3.42 103.07 94.74 3juy h GLY 151 Ca -0.46 -0.17 -0.12 0.00 0.00 0.00 0.00 47.33 46.58 3juy h GLY 151 CO 0.61 0.16 -0.56 -1.59 0.00 0.00 0.00 176.54 175.16 3juy s THR 152 N -5.29 0.16 -0.29 4.70 2.01 -1.26 -1.46 115.64 114.21 3juy s THR 152 Ca -0.07 -1.64 0.02 0.00 0.31 0.00 0.00 61.69 60.31 3juy s THR 152 Cb 0.17 -1.63 0.20 0.00 0.01 0.00 0.00 72.50 71.24 3juy s THR 152 CO 0.72 -0.72 0.63 -0.22 -0.69 0.00 0.00 174.62 174.34 3juy s LEU 153 N -2.94 -1.46 -0.16 4.42 2.96 -0.29 -4.87 118.68 116.34 3juy s LEU 153 Ca 0.12 0.38 -0.14 0.00 -0.22 0.00 0.00 54.13 54.26 3juy s LEU 153 Cb 0.07 2.01 -0.05 0.00 0.50 0.00 0.00 46.19 48.72 3juy s LEU 153 CO -0.06 -0.27 0.32 -0.55 -1.32 0.00 0.00 176.35 174.47 3juy s SER 154 N 2.85 6.45 0.11 3.68 0.15 -1.26 -3.06 113.70 122.62 3juy s SER 154 Ca 0.14 0.53 -0.12 0.00 0.70 0.00 0.00 55.95 57.20 3juy s SER 154 Cb -0.11 -2.20 0.02 0.00 -1.71 0.00 0.00 66.02 62.02 3juy s SER 154 CO -0.24 0.07 0.30 -0.76 1.20 0.00 0.00 173.24 173.81 3juy s LEU 155 N 0.59 0.89 -0.01 3.45 1.43 -1.13 -5.04 118.68 118.86 3juy s LEU 155 Ca 0.18 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 52.80 3juy s LEU 155 Cb -0.13 1.45 -0.03 0.00 0.03 0.00 0.00 46.19 47.51 3juy s LEU 155 CO 0.05 -0.80 -0.03 -0.44 0.23 0.00 0.00 176.35 175.36 3juy s SER 156 N -2.84 4.93 -0.08 2.29 0.01 -1.26 -4.37 113.70 112.39 3juy s SER 156 Ca 0.04 -0.05 -0.40 0.00 1.31 0.00 0.00 55.95 56.86 3juy s SER 156 Cb 0.03 -1.25 -0.18 0.00 0.21 0.00 0.00 66.02 64.84 3juy s SER 156 CO -0.11 0.29 1.37 -2.65 0.41 0.00 0.00 173.24 172.55 3juy n PRO 157 N 1.53 0.68 0.00 12.44 -0.02 -1.26 -1.92 135.00 146.44 3juy n PRO 157 Ca -0.15 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3juy n PRO 157 Cb 0.53 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 3juy n PRO 157 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3juy n GLY 158 N 2.74 3.09 3.59 -1.23 0.00 0.49 -4.87 105.19 108.99 3juy n GLY 158 Ca 0.22 -1.13 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 3juy n GLY 158 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3juy s GLU 159 N 0.00 -0.43 -0.12 1.61 2.02 -0.81 -3.83 118.70 117.14 3juy s GLU 159 Ca 0.00 0.48 -0.15 0.00 0.02 0.00 0.00 54.97 55.32 3juy s GLU 159 Cb 0.00 -1.64 -0.05 0.00 0.10 0.00 0.00 34.13 32.54 3juy s GLU 159 CO 0.00 -3.30 0.37 0.50 0.02 0.00 0.00 175.26 172.84 3juy s ARG 160 N -4.88 4.19 -0.08 1.61 3.52 -1.22 -1.68 118.95 120.41 3juy s ARG 160 Ca 0.67 0.26 -0.01 0.00 -0.13 0.00 0.00 55.73 56.52 3juy s ARG 160 Cb -0.19 -3.38 -0.03 0.00 -1.56 0.00 0.00 34.95 29.78 3juy s ARG 160 CO 0.60 0.31 -0.02 0.00 -0.81 0.00 0.00 175.30 175.38 3juy s ALA 161 N 0.19 3.18 -0.12 6.12 0.00 -0.42 -5.00 121.76 125.72 3juy s ALA 161 Ca 0.21 -0.83 -0.02 0.00 0.00 0.00 0.00 51.96 51.31 3juy s ALA 161 Cb -0.14 -1.40 0.04 0.00 0.00 0.00 0.00 23.12 21.62 3juy s ALA 161 CO 0.08 0.58 0.03 0.99 0.00 0.00 0.00 175.76 177.43 3juy s THR 162 N -0.84 0.30 -0.11 0.00 2.01 -1.26 -1.57 115.64 114.16 3juy s THR 162 Ca 0.13 -0.08 -0.04 0.00 0.31 0.00 0.00 61.69 62.00 3juy s THR 162 Cb -0.11 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 3juy s THR 162 CO 0.02 0.04 0.05 -0.36 -0.69 0.00 0.00 174.62 173.68 3juy s PHE 163 N 1.98 3.31 0.15 4.92 0.08 -0.23 -4.74 117.98 123.45 3juy s PHE 163 Ca 0.03 0.27 0.08 0.00 0.12 0.00 0.00 56.93 57.43 3juy s PHE 163 Cb -0.14 -1.89 -0.04 0.00 -0.57 0.00 0.00 43.02 40.38 3juy s PHE 163 CO -0.06 0.49 -0.10 -1.12 -0.10 0.00 0.00 175.22 174.33 3juy s SER 164 N -0.70 4.27 -0.12 1.36 0.01 -0.56 -2.05 113.70 115.90 3juy s SER 164 Ca 0.12 -0.52 -0.04 0.00 1.31 0.00 0.00 55.95 56.82 3juy s SER 164 Cb -0.12 -0.74 0.06 0.00 0.21 0.00 0.00 66.02 65.43 3juy s SER 164 CO 0.02 0.13 0.23 0.00 0.41 0.00 0.00 173.24 174.04 3juy s ARG 166 N 2.38 3.54 0.14 0.00 1.70 -0.27 -1.11 118.95 125.34 3juy s ARG 166 Ca 0.02 -0.59 -0.04 0.00 -0.47 0.00 0.00 55.73 54.66 3juy s ARG 166 Cb -0.12 -2.83 -0.05 0.00 -0.57 0.00 0.00 34.95 31.37 3juy s ARG 166 CO -0.08 0.18 0.36 0.45 -1.08 0.00 0.00 175.30 175.12 3juy s SER 167 N 0.50 6.47 0.12 -2.89 0.15 0.39 -1.25 113.70 117.18 3juy s SER 167 Ca -0.05 0.54 0.06 0.00 0.70 0.00 0.00 55.95 57.20 3juy s SER 167 Cb -0.15 -2.07 -0.21 0.00 -1.71 0.00 0.00 66.02 61.88 3juy s SER 167 CO 0.03 0.05 1.27 0.77 1.20 0.00 0.00 173.24 176.56 3juy h SER 168 N 2.76 0.02 -2.17 5.45 4.64 -1.69 -3.45 113.55 119.11 3juy h SER 168 Ca -0.46 -0.02 -0.50 0.00 -0.47 0.00 0.00 61.79 60.33 3juy h SER 168 Cb 1.17 -0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 63.20 3juy h SER 168 CO 0.73 1.02 -0.52 -1.00 -0.87 0.00 0.00 176.83 176.18 3juy s HIS 169 N -2.71 3.08 0.17 4.77 3.76 -1.26 -5.00 115.29 118.10 3juy s HIS 169 Ca 0.01 -0.13 -0.30 0.00 -0.15 0.00 0.00 55.06 54.49 3juy s HIS 169 Cb 0.10 -1.43 -0.08 0.00 1.11 0.00 0.00 32.58 32.28 3juy s HIS 169 CO 0.82 0.50 1.24 -1.12 -0.85 0.00 0.00 174.74 175.33 3juy s SER 170 N -3.85 7.01 -1.09 1.40 0.01 -1.25 -4.70 113.70 111.23 3juy s SER 170 Ca 0.33 2.26 -0.04 0.00 1.31 0.00 0.00 55.95 59.82 3juy s SER 170 Cb -0.08 -2.60 0.30 0.00 0.21 0.00 0.00 66.02 63.85 3juy s SER 170 CO 0.25 -0.45 1.55 -0.38 0.41 0.00 0.00 173.24 174.62 3juy n ILE 171 N 2.80 5.35 -0.29 1.44 2.08 0.56 -4.80 119.36 126.50 3juy n ILE 171 Ca 0.06 -5.84 0.17 0.00 0.56 0.00 0.00 62.75 57.70 3juy n ILE 171 Cb 0.44 -2.05 0.44 0.00 -0.75 0.00 0.00 39.64 37.72 3juy n ILE 171 CO 0.00 0.00 0.00 0.08 0.56 0.00 0.00 176.55 177.19 3juy h ARG 172 N 5.34 0.53 0.00 0.38 0.11 -1.92 -1.94 114.38 116.89 3juy h ARG 172 Ca 0.24 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.29 3juy h ARG 172 Cb 0.59 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 31.55 3juy h ARG 172 CO 1.35 0.35 0.00 -1.13 0.10 0.00 0.00 179.97 180.64 3juy n SER 173 N -4.59 0.00 -2.37 0.08 3.41 -1.26 -4.88 113.62 104.01 3juy n SER 173 Ca 0.21 0.50 -0.19 0.00 -0.26 0.00 0.00 58.87 59.13 3juy n SER 173 Cb 0.65 -0.50 0.01 0.00 -0.26 0.00 0.00 64.21 64.11 3juy n SER 173 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3juy n ARG 174 N -1.50 -2.80 -3.05 4.33 1.74 -0.73 -4.93 116.66 109.72 3juy n ARG 174 Ca 0.04 0.85 -0.42 0.00 -0.77 0.00 0.00 57.85 57.55 3juy n ARG 174 Cb 0.20 -5.43 0.00 0.00 -1.02 0.00 0.00 32.46 26.21 3juy n ARG 174 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3juy n ARG 175 N -3.17 4.31 -4.91 5.56 1.74 -1.26 -3.77 116.66 115.15 3juy n ARG 175 Ca -0.16 -4.56 -0.33 0.00 -0.77 0.00 0.00 57.85 52.03 3juy n ARG 175 Cb 0.64 -2.50 -0.14 0.00 -1.02 0.00 0.00 32.46 29.45 3juy n ARG 175 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3juy s VAL 176 N -2.70 2.92 0.08 1.55 1.01 -1.26 -1.66 120.40 120.33 3juy s VAL 176 Ca 0.32 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.56 3juy s VAL 176 Cb 0.05 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 3juy s VAL 176 CO 0.09 0.57 -0.08 0.00 0.00 0.00 0.00 175.10 175.68 3juy s ALA 177 N -0.36 0.87 -0.04 5.51 0.00 0.18 -0.89 121.76 127.03 3juy s ALA 177 Ca 0.03 -1.09 0.04 0.00 0.00 0.00 0.00 51.96 50.95 3juy s ALA 177 Cb -0.12 0.08 -0.00 0.00 0.00 0.00 0.00 23.12 23.07 3juy s ALA 177 CO 0.02 -0.10 -0.17 -1.58 0.00 0.00 0.00 175.76 173.93 3juy s TRP 178 N -2.47 1.72 0.10 0.00 0.52 0.13 -0.03 118.94 118.92 3juy s TRP 178 Ca 0.02 -0.47 0.09 0.00 0.02 0.00 0.00 56.10 55.76 3juy s TRP 178 Cb -0.03 -1.15 -0.04 0.00 -1.15 0.00 0.00 33.47 31.11 3juy s TRP 178 CO -0.02 -0.15 -0.23 0.71 0.02 0.00 0.00 176.95 177.29 3juy s TYR 179 N -0.02 1.95 -0.14 -1.98 1.51 0.42 -0.69 117.35 118.40 3juy s TYR 179 Ca -0.02 -0.40 -0.03 0.00 -1.01 0.00 0.00 57.07 55.60 3juy s TYR 179 Cb -0.11 -1.07 -0.03 0.00 -0.11 0.00 0.00 41.96 40.64 3juy s TYR 179 CO 0.02 0.23 -0.03 -1.14 -1.11 0.00 0.00 175.55 173.52 3juy s GLN 180 N -1.88 3.55 -0.07 -0.62 0.74 0.01 -1.67 119.66 119.71 3juy s GLN 180 Ca 0.09 -0.50 -0.01 0.00 0.05 0.00 0.00 55.36 54.98 3juy s GLN 180 Cb -0.10 -2.89 0.03 0.00 1.10 0.00 0.00 33.01 31.15 3juy s GLN 180 CO 0.04 0.32 0.00 -1.58 -0.55 0.00 0.00 175.29 173.53 3juy s HIS 181 N 0.14 0.67 -0.41 1.67 2.46 0.28 -0.70 115.29 119.40 3juy s HIS 181 Ca -0.01 -0.17 -0.08 0.00 0.47 0.00 0.00 55.06 55.27 3juy s HIS 181 Cb -0.14 -0.80 0.09 0.00 -0.13 0.00 0.00 32.58 31.60 3juy s HIS 181 CO 0.03 -0.33 0.24 0.15 -2.47 0.00 0.00 174.74 172.36 3juy s LYS 182 N 1.97 2.47 0.24 2.88 1.02 -1.26 -1.10 119.74 125.96 3juy s LYS 182 Ca 0.05 -1.55 -0.31 0.00 0.02 0.00 0.00 55.97 54.18 3juy s LYS 182 Cb -0.12 -3.72 -0.14 0.00 -0.52 0.00 0.00 37.83 33.33 3juy s LYS 182 CO -0.05 -0.98 1.35 -2.30 -0.92 0.00 0.00 175.35 172.45 3juy n PRO 183 N 4.84 1.89 0.00 -1.68 -0.02 -1.26 -1.05 135.00 137.72 3juy n PRO 183 Ca -0.09 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3juy n PRO 183 Cb 0.42 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 3juy n PRO 183 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3juy n GLY 184 N 2.01 2.86 3.87 -1.23 0.00 -1.26 -5.07 105.19 106.37 3juy n GLY 184 Ca 0.11 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 3juy n GLY 184 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3juy s GLN 185 N 0.00 1.64 0.14 1.61 -0.21 -0.21 -4.92 119.66 117.71 3juy s GLN 185 Ca 0.00 0.12 -0.29 0.00 0.02 0.00 0.00 55.36 55.21 3juy s GLN 185 Cb 0.00 -1.91 -0.07 0.00 1.00 0.00 0.00 33.01 32.03 3juy s GLN 185 CO 0.00 -1.82 0.92 0.00 -2.12 0.00 0.00 175.29 172.26 3juy s ALA 186 N -3.52 3.30 0.31 6.09 0.00 -1.26 -4.69 121.76 121.99 3juy s ALA 186 Ca 0.63 0.53 -0.27 0.00 0.00 0.00 0.00 51.96 52.86 3juy s ALA 186 Cb -0.11 -3.20 -0.14 0.00 0.00 0.00 0.00 23.12 19.67 3juy s ALA 186 CO 0.50 0.08 0.88 -2.30 0.00 0.00 0.00 175.76 174.92 3juy n PRO 187 N 2.32 1.06 -4.89 0.00 -0.02 -1.26 -4.80 135.00 127.40 3juy n PRO 187 Ca -0.00 0.37 -0.33 0.00 -2.02 0.00 0.00 63.50 61.52 3juy n PRO 187 Cb 0.49 -1.70 -0.13 0.00 -0.02 0.00 0.00 33.50 32.13 3juy n PRO 187 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3juy s ARG 188 N -1.53 2.53 0.14 -0.52 0.52 0.13 -4.35 118.95 115.88 3juy s ARG 188 Ca 0.60 -0.70 -0.30 0.00 -0.52 0.00 0.00 55.73 54.81 3juy s ARG 188 Cb -0.70 -2.38 -0.07 0.00 0.52 0.00 0.00 34.95 32.31 3juy s ARG 188 CO 0.59 0.60 1.20 -1.17 0.02 0.00 0.00 175.30 176.54 3juy s LEU 189 N -0.68 4.43 -0.09 2.53 2.96 -1.26 -0.81 118.68 125.75 3juy s LEU 189 Ca 0.10 2.16 -0.08 0.00 -0.22 0.00 0.00 54.13 56.10 3juy s LEU 189 Cb -0.11 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 42.94 3juy s LEU 189 CO 0.01 -0.40 -0.18 0.52 -1.32 0.00 0.00 176.35 174.97 3juy n VAL 190 N 2.99 1.07 -4.52 1.68 0.31 0.13 -4.76 118.33 115.22 3juy n VAL 190 Ca 0.06 0.04 -0.23 0.00 -0.01 0.00 0.00 64.34 64.19 3juy n VAL 190 Cb 0.45 -1.83 -0.16 0.00 -0.91 0.00 0.00 33.84 31.39 3juy n VAL 190 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3juy s ILE 191 N -2.35 1.01 0.20 2.52 -1.09 -1.14 -1.36 121.20 118.99 3juy s ILE 191 Ca -0.17 -0.44 0.10 0.00 -2.23 0.00 0.00 60.65 57.91 3juy s ILE 191 Cb 0.05 -0.92 -0.04 0.00 -1.58 0.00 0.00 42.46 39.97 3juy s ILE 191 CO 0.23 0.32 -0.19 -1.38 -1.23 0.00 0.00 174.94 172.69 3juy s HIS 192 N 0.49 1.97 -1.29 3.97 -3.43 0.07 0.22 115.29 117.29 3juy s HIS 192 Ca -0.10 -0.44 -0.06 0.00 -0.80 0.00 0.00 55.06 53.66 3juy s HIS 192 Cb -0.13 -0.94 0.01 0.00 -1.43 0.00 0.00 32.58 30.09 3juy s HIS 192 CO 0.02 0.45 0.74 0.41 -2.00 0.00 0.00 174.74 174.36 3juy n GLY 193 N -0.05 -0.36 4.78 -1.38 0.00 -0.49 -1.52 105.19 106.17 3juy n GLY 193 Ca -0.10 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3juy n GLY 193 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3juy n VAL 194 N -4.50 0.00 -0.12 1.61 0.31 -0.07 -4.07 118.33 111.49 3juy n VAL 194 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 3juy n VAL 194 Cb 0.58 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.51 3juy n VAL 194 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3juy n SER 195 N 1.26 0.13 -4.65 4.52 3.41 -1.23 -2.90 113.62 114.17 3juy n SER 195 Ca 0.00 -0.44 -0.42 0.00 -0.26 0.00 0.00 58.87 57.75 3juy n SER 195 Cb 0.00 0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 64.31 3juy n SER 195 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3juy s ASN 196 N -0.40 6.91 -0.08 4.04 0.01 -0.57 -4.51 114.94 120.33 3juy s ASN 196 Ca 0.00 1.11 -0.29 0.00 -0.71 0.00 0.00 52.86 52.97 3juy s ASN 196 Cb 0.00 -2.48 -0.02 0.00 0.41 0.00 0.00 41.25 39.17 3juy s ASN 196 CO 0.00 -0.61 0.97 -0.60 -1.51 0.00 0.00 177.10 175.35 3juy s ARG 197 N 3.04 4.45 0.60 -0.60 3.52 -1.26 -0.75 118.95 127.95 3juy s ARG 197 Ca 0.39 1.34 -0.16 0.00 -0.13 0.00 0.00 55.73 57.17 3juy s ARG 197 Cb -0.15 -3.52 -0.03 0.00 -1.56 0.00 0.00 34.95 29.69 3juy s ARG 197 CO 0.08 -0.23 1.08 0.00 -0.81 0.00 0.00 175.30 175.41 3juy s ALA 198 N 1.72 2.66 0.29 6.12 0.00 -0.46 -4.92 121.76 127.18 3juy s ALA 198 Ca 0.48 0.49 -0.29 0.00 0.00 0.00 0.00 51.96 52.64 3juy s ALA 198 Cb -0.19 -3.27 -0.13 0.00 0.00 0.00 0.00 23.12 19.53 3juy s ALA 198 CO 0.20 -0.92 1.20 -1.13 0.00 0.00 0.00 175.76 175.11 3juy n SER 199 N -2.02 2.13 0.00 0.00 3.41 -1.26 -1.72 113.62 114.15 3juy n SER 199 Ca 0.09 1.18 0.00 0.00 -0.26 0.00 0.00 58.87 59.88 3juy n SER 199 Cb 0.52 -1.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.09 3juy n SER 199 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3juy n GLY 200 N 1.31 0.63 3.71 5.00 0.00 -1.26 -5.01 105.19 109.57 3juy n GLY 200 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 3juy n GLY 200 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3juy s ILE 201 N -2.63 5.24 0.90 -0.61 -1.09 -0.70 -5.05 121.20 117.25 3juy s ILE 201 Ca 0.00 0.72 -0.13 0.00 -2.23 0.00 0.00 60.65 59.02 3juy s ILE 201 Cb 0.00 -3.72 0.06 0.00 -1.58 0.00 0.00 42.46 37.22 3juy s ILE 201 CO 0.00 0.33 0.70 -0.24 -1.23 0.00 0.00 174.94 174.50 3juy n SER 202 N 3.87 -1.00 0.23 3.58 2.88 -1.26 -4.88 113.62 117.05 3juy n SER 202 Ca -0.09 0.42 0.16 0.00 -1.33 0.00 0.00 58.87 58.02 3juy n SER 202 Cb 0.52 -1.31 0.77 0.00 -0.75 0.00 0.00 64.21 63.44 3juy n SER 202 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 3juy h ASP 203 N -1.41 0.00 0.55 -3.46 2.03 -2.01 -2.88 116.42 109.25 3juy h ASP 203 Ca -0.44 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 55.84 3juy h ASP 203 Cb 1.29 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.79 3juy h ASP 203 CO 0.38 0.00 -0.08 0.03 -1.03 0.00 0.00 179.24 178.54 3juy h ARG 204 N 0.00 0.00 -5.57 4.15 3.08 -1.94 -3.43 114.38 110.67 3juy h ARG 204 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 3juy h ARG 204 Cb 0.16 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.12 3juy h ARG 204 CO 0.00 0.08 -0.41 -0.06 -1.07 0.00 0.00 179.97 178.51 3juy s PHE 205 N -3.98 3.54 0.03 3.04 0.40 -1.09 -1.51 117.98 118.42 3juy s PHE 205 Ca -0.02 0.56 -0.20 0.00 -0.60 0.00 0.00 56.93 56.67 3juy s PHE 205 Cb 0.12 -2.13 0.04 0.00 0.51 0.00 0.00 43.02 41.56 3juy s PHE 205 CO 0.55 0.51 0.47 -1.54 0.70 0.00 0.00 175.22 175.90 3juy s SER 206 N -0.37 -0.37 0.35 1.36 1.04 -0.57 -4.95 113.70 110.20 3juy s SER 206 Ca 0.15 0.13 0.06 0.00 0.48 0.00 0.00 55.95 56.77 3juy s SER 206 Cb -0.13 0.45 -0.07 0.00 0.10 0.00 0.00 66.02 66.38 3juy s SER 206 CO 0.04 -0.67 0.01 -0.83 0.98 0.00 0.00 173.24 172.77 3juy s GLY 207 N -1.88 2.20 0.05 7.32 0.00 -1.26 0.02 107.32 113.77 3juy s GLY 207 Ca -0.06 -2.13 -0.28 0.00 0.00 0.00 0.00 44.72 42.25 3juy s GLY 207 CO -0.01 -1.94 1.18 -1.35 0.00 0.00 0.00 173.10 170.98 3juy s SER 208 N -3.57 -0.08 0.00 1.64 1.04 -0.05 -4.47 113.70 108.21 3juy s SER 208 Ca 0.34 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.51 3juy s SER 208 Cb 0.08 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.48 3juy s SER 208 CO 0.16 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.47 3juy n GLY 209 N -0.55 0.83 3.61 7.32 0.00 -1.26 -0.18 105.19 114.96 3juy n GLY 209 Ca -0.06 -2.00 -0.01 0.00 0.00 0.00 0.00 46.02 43.95 3juy n GLY 209 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3juy s SER 210 N -4.00 -0.09 0.00 1.61 1.04 -0.67 -4.98 113.70 106.61 3juy s SER 210 Ca 0.00 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.37 3juy s SER 210 Cb 0.00 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.26 3juy s SER 210 CO 0.00 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.58 3juy n GLY 211 N -0.27 -0.08 0.00 7.32 0.00 -1.26 -2.11 105.19 108.78 3juy n GLY 211 Ca -0.03 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.40 3juy n GLY 211 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3juy n THR 212 N 0.00 0.00 -4.72 2.61 -1.04 -1.26 -0.33 114.28 109.55 3juy n THR 212 Ca 0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.74 3juy n THR 212 Cb 0.00 0.06 -0.17 0.00 -1.82 0.00 0.00 70.33 68.41 3juy n THR 212 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3juy s ASP 213 N -0.70 2.17 0.09 8.00 1.01 -0.90 -0.47 116.67 125.87 3juy s ASP 213 Ca 0.00 -0.38 0.04 0.00 0.71 0.00 0.00 52.55 52.93 3juy s ASP 213 Cb 0.00 -0.99 -0.03 0.00 1.01 0.00 0.00 42.92 42.90 3juy s ASP 213 CO 0.00 0.06 -0.11 -0.36 0.21 0.00 0.00 175.17 174.97 3juy s PHE 214 N 0.63 1.09 -0.02 4.23 0.08 -0.27 -1.67 117.98 122.06 3juy s PHE 214 Ca -0.15 -0.61 -0.02 0.00 0.12 0.00 0.00 56.93 56.27 3juy s PHE 214 Cb -0.16 -0.60 0.00 0.00 -0.57 0.00 0.00 43.02 41.69 3juy s PHE 214 CO 0.04 0.02 0.06 0.95 -0.10 0.00 0.00 175.22 176.19 3juy s THR 215 N -2.17 0.02 -0.11 0.64 -4.23 0.74 -1.35 115.64 109.18 3juy s THR 215 Ca 0.04 -0.18 -0.04 0.00 -1.18 0.00 0.00 61.69 60.33 3juy s THR 215 Cb -0.05 -0.15 -0.03 0.00 1.34 0.00 0.00 72.50 73.61 3juy s THR 215 CO 0.01 -0.10 0.03 -0.22 -0.54 0.00 0.00 174.62 173.79 3juy s LEU 216 N -0.29 3.71 -0.02 4.79 2.96 -0.87 -0.88 118.68 128.08 3juy s LEU 216 Ca -0.03 0.16 0.04 0.00 -0.22 0.00 0.00 54.13 54.07 3juy s LEU 216 Cb -0.02 -1.88 -0.01 0.00 0.50 0.00 0.00 46.19 44.78 3juy s LEU 216 CO 0.00 0.33 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.33 3juy s THR 217 N -0.59 1.13 -0.24 3.68 2.01 0.10 -1.07 115.64 120.67 3juy s THR 217 Ca 0.10 -0.58 -0.00 0.00 0.31 0.00 0.00 61.69 61.52 3juy s THR 217 Cb -0.12 -0.97 0.03 0.00 0.01 0.00 0.00 72.50 71.46 3juy s THR 217 CO 0.02 0.33 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.56 3juy s ILE 218 N -0.11 2.61 0.06 1.82 1.01 -0.61 -1.51 121.20 124.46 3juy s ILE 218 Ca 0.01 -1.10 -0.37 0.00 0.00 0.00 0.00 60.65 59.19 3juy s ILE 218 Cb -0.08 -2.32 -0.20 0.00 0.01 0.00 0.00 42.46 39.87 3juy s ILE 218 CO 0.00 0.23 1.54 0.71 0.00 0.00 0.00 174.94 177.42 3juy h THR 219 N 6.20 0.03 -3.53 2.92 1.35 -1.56 -1.10 112.91 117.22 3juy h THR 219 Ca -0.33 -0.03 -0.59 0.00 -0.55 0.00 0.00 66.41 64.92 3juy h THR 219 Cb 1.10 0.03 -0.33 0.00 -1.73 0.00 0.00 68.15 67.23 3juy h THR 219 CO 0.57 0.00 -0.84 -0.13 -0.25 0.00 0.00 175.52 174.86 3juy s ARG 220 N -5.89 2.20 -0.11 4.72 0.52 -1.26 -3.41 118.95 115.73 3juy s ARG 220 Ca -0.19 -0.63 -0.26 0.00 -0.52 0.00 0.00 55.73 54.13 3juy s ARG 220 Cb 0.02 -1.77 -0.02 0.00 0.52 0.00 0.00 34.95 33.70 3juy s ARG 220 CO 0.59 0.14 0.82 0.08 0.02 0.00 0.00 175.30 176.95 3juy s VAL 221 N 0.38 4.93 0.39 3.52 1.01 -0.68 -4.78 120.40 125.17 3juy s VAL 221 Ca -0.13 1.65 0.00 0.00 0.00 0.00 0.00 61.98 63.50 3juy s VAL 221 Cb -0.15 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 3juy s VAL 221 CO 0.05 0.11 0.60 -1.61 0.00 0.00 0.00 175.10 174.25 3juy s GLU 222 N 1.58 3.33 0.61 2.72 0.41 -1.26 -0.38 118.70 125.70 3juy s GLU 222 Ca 0.40 -0.39 0.39 0.00 -0.41 0.00 0.00 54.97 54.96 3juy s GLU 222 Cb -0.18 -2.62 1.90 0.00 -1.78 0.00 0.00 34.13 31.46 3juy s GLU 222 CO 0.16 -0.02 2.18 -1.35 -0.49 0.00 0.00 175.26 175.75 3juy h PRO 223 N 0.61 0.00 0.00 0.39 0.11 -1.98 -2.52 132.00 128.60 3juy h PRO 223 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3juy h PRO 223 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3juy h PRO 223 CO 0.60 0.01 0.00 -0.85 -0.21 0.00 0.00 178.00 177.55 3juy n GLU 224 N -3.14 0.91 0.00 1.05 0.00 -1.26 -3.77 120.64 114.43 3juy n GLU 224 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 57.16 57.23 3juy n GLU 224 Cb 0.18 -1.25 -0.10 0.00 0.00 0.00 0.00 31.44 30.27 3juy n GLU 224 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3juy n ASP 225 N -0.75 0.90 -4.61 -1.84 8.00 -0.95 -4.89 116.55 112.41 3juy n ASP 225 Ca 0.11 -0.95 -0.43 0.00 0.71 0.00 0.00 54.79 54.23 3juy n ASP 225 Cb 0.05 0.98 -0.02 0.00 -0.02 0.00 0.00 41.12 42.11 3juy n ASP 225 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3juy s PHE 226 N -2.69 2.33 0.07 1.24 0.40 -1.25 -4.89 117.98 113.19 3juy s PHE 226 Ca 0.07 0.68 -0.06 0.00 -0.60 0.00 0.00 56.93 57.02 3juy s PHE 226 Cb 0.14 -4.21 0.02 0.00 0.51 0.00 0.00 43.02 39.48 3juy s PHE 226 CO 0.74 -2.16 0.31 0.00 0.70 0.00 0.00 175.22 174.81 3juy n ALA 227 N 8.83 -0.79 -2.36 5.36 0.00 -1.19 -4.93 120.51 125.44 3juy n ALA 227 Ca 0.17 -0.33 -0.32 0.00 0.00 0.00 0.00 53.44 52.96 3juy n ALA 227 Cb 0.47 0.20 -0.06 0.00 0.00 0.00 0.00 19.45 20.07 3juy n ALA 227 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3juy s LEU 228 N 0.00 4.17 -0.08 0.00 1.43 -0.26 -1.29 118.68 122.65 3juy s LEU 228 Ca 0.07 1.00 0.02 0.00 -1.03 0.00 0.00 54.13 54.18 3juy s LEU 228 Cb -0.01 -3.70 0.01 0.00 0.03 0.00 0.00 46.19 42.52 3juy s LEU 228 CO 0.02 -0.07 -0.12 -0.31 0.23 0.00 0.00 176.35 176.09 3juy s TYR 229 N -1.80 1.58 -0.08 0.29 2.02 -0.16 -0.56 117.35 118.63 3juy s TYR 229 Ca 0.47 -0.65 0.04 0.00 -0.37 0.00 0.00 57.07 56.57 3juy s TYR 229 Cb -0.11 -1.17 -0.00 0.00 -0.40 0.00 0.00 41.96 40.27 3juy s TYR 229 CO 0.20 -0.35 -0.23 0.71 -1.57 0.00 0.00 175.55 174.31 3juy s TYR 230 N 0.88 2.38 0.40 2.71 1.51 -0.67 -0.75 117.35 123.82 3juy s TYR 230 Ca -0.10 -0.89 0.01 0.00 -1.01 0.00 0.00 57.07 55.08 3juy s TYR 230 Cb -0.15 -1.59 -0.01 0.00 -0.11 0.00 0.00 41.96 40.09 3juy s TYR 230 CO 0.01 -0.34 0.60 0.00 -1.11 0.00 0.00 175.55 174.71 3juy s GLN 232 N -4.42 0.58 -0.22 0.00 0.74 0.96 -1.66 119.66 115.64 3juy s GLN 232 Ca 0.45 0.60 -0.08 0.00 0.05 0.00 0.00 55.36 56.38 3juy s GLN 232 Cb -0.10 0.28 -0.04 0.00 1.10 0.00 0.00 33.01 34.26 3juy s GLN 232 CO 0.36 -0.08 0.08 0.08 -0.55 0.00 0.00 175.29 175.18 3juy s VAL 233 N 0.11 4.57 0.39 1.34 1.01 -0.90 0.51 120.40 127.43 3juy s VAL 233 Ca -0.01 -0.09 0.08 0.00 0.00 0.00 0.00 61.98 61.95 3juy s VAL 233 Cb -0.03 -3.11 -0.07 0.00 0.00 0.00 0.00 36.38 33.17 3juy s VAL 233 CO 0.01 0.38 0.00 -0.72 0.00 0.00 0.00 175.10 174.77 3juy s TYR 234 N 1.12 2.50 0.00 5.22 -0.85 -0.66 -2.23 117.35 122.45 3juy s TYR 234 Ca 0.05 -0.61 0.00 0.00 -0.52 0.00 0.00 57.07 55.99 3juy s TYR 234 Cb -0.14 -1.69 0.00 0.00 0.38 0.00 0.00 41.96 40.51 3juy s TYR 234 CO 0.03 0.46 0.00 0.41 -1.52 0.00 0.00 175.55 174.93 3juy n GLY 235 N -0.96 1.38 0.11 5.49 0.00 -1.20 -4.77 105.19 105.24 3juy n GLY 235 Ca -0.05 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 3juy n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3juy h ALA 236 N 2.00 0.22 0.00 4.61 0.00 -1.92 -3.43 119.26 120.74 3juy h ALA 236 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 53.81 3juy h ALA 236 Cb 0.00 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3juy h ALA 236 CO 0.00 0.71 0.00 -1.13 0.00 0.00 0.00 179.25 178.83 3juy n SER 237 N -4.21 0.92 -3.82 0.00 3.41 -1.26 -5.04 113.62 103.63 3juy n SER 237 Ca -0.27 -1.24 -0.12 0.00 -0.26 0.00 0.00 58.87 56.97 3juy n SER 237 Cb 0.76 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.58 3juy n SER 237 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3juy s SER 238 N -0.24 -0.15 -0.05 4.04 1.04 -1.26 -4.92 113.70 112.15 3juy s SER 238 Ca 0.00 0.30 -0.02 0.00 0.48 0.00 0.00 55.95 56.71 3juy s SER 238 Cb 0.00 0.31 0.04 0.00 0.10 0.00 0.00 66.02 66.46 3juy s SER 238 CO 0.00 -0.06 0.11 -0.31 0.98 0.00 0.00 173.24 173.96 3juy s TYR 239 N 0.06 -0.10 0.01 5.02 1.51 -1.26 -3.27 117.35 119.32 3juy s TYR 239 Ca -0.00 0.38 0.02 0.00 -1.01 0.00 0.00 57.07 56.45 3juy s TYR 239 Cb -0.01 -0.15 -0.01 0.00 -0.11 0.00 0.00 41.96 41.68 3juy s TYR 239 CO 0.00 -0.15 -0.06 0.95 -1.11 0.00 0.00 175.55 175.18 3juy s THR 240 N 1.21 0.44 0.17 -0.71 -4.23 -0.95 -4.62 115.64 106.95 3juy s THR 240 Ca -0.08 -0.52 0.08 0.00 -1.18 0.00 0.00 61.69 59.99 3juy s THR 240 Cb -0.12 -0.42 -0.04 0.00 1.34 0.00 0.00 72.50 73.25 3juy s THR 240 CO -0.05 -0.07 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.52 3juy s PHE 241 N -0.58 2.68 0.85 3.99 0.40 -1.26 -2.12 117.98 121.94 3juy s PHE 241 Ca -0.03 -0.20 -0.12 0.00 -0.60 0.00 0.00 56.93 55.98 3juy s PHE 241 Cb -0.05 -1.32 0.11 0.00 0.51 0.00 0.00 43.02 42.26 3juy s PHE 241 CO -0.00 0.50 1.18 0.20 0.70 0.00 0.00 175.22 177.79 3juy s GLY 242 N -2.73 1.60 0.07 4.36 0.00 -0.66 -4.63 107.32 105.33 3juy s GLY 242 Ca 0.24 -0.66 0.28 0.00 0.00 0.00 0.00 44.72 44.58 3juy s GLY 242 CO 0.15 -0.13 1.87 0.61 0.00 0.00 0.00 173.10 175.60 3juy n GLN 243 N -3.48 0.09 0.00 2.90 0.00 -1.26 -4.70 117.38 110.93 3juy n GLN 243 Ca 0.08 0.08 0.00 0.00 0.00 0.00 0.00 57.00 57.16 3juy n GLN 243 Cb 0.60 -1.60 0.00 0.00 0.00 0.00 0.00 30.24 29.24 3juy n GLN 243 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3juy n GLY 244 N 1.39 2.25 3.18 2.61 0.00 -1.26 -4.90 105.19 108.47 3juy n GLY 244 Ca 0.06 -1.67 -0.32 0.00 0.00 0.00 0.00 46.02 44.09 3juy n GLY 244 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3juy s THR 245 N -1.59 2.03 -0.22 2.61 2.01 0.07 -4.78 115.64 115.78 3juy s THR 245 Ca 0.00 -0.98 -0.20 0.00 0.31 0.00 0.00 61.69 60.82 3juy s THR 245 Cb 0.00 -1.78 -0.02 0.00 0.01 0.00 0.00 72.50 70.70 3juy s THR 245 CO 0.00 0.55 0.60 -0.75 -0.69 0.00 0.00 174.62 174.33 3juy s LYS 246 N 0.63 4.17 -1.01 4.92 2.20 -0.53 -0.99 119.74 129.13 3juy s LYS 246 Ca -0.12 0.54 -0.12 0.00 -0.36 0.00 0.00 55.97 55.91 3juy s LYS 246 Cb -0.16 -3.60 0.24 0.00 -1.51 0.00 0.00 37.83 32.79 3juy s LYS 246 CO 0.02 -0.28 1.02 -1.17 -0.36 0.00 0.00 175.35 174.58 3juy s LEU 247 N 2.06 6.30 0.20 5.43 2.96 -0.41 -1.13 118.68 134.09 3juy s LEU 247 Ca 0.26 -3.14 -0.14 0.00 -0.22 0.00 0.00 54.13 50.90 3juy s LEU 247 Cb -0.16 -2.24 -0.07 0.00 0.50 0.00 0.00 46.19 44.22 3juy s LEU 247 CO 0.10 -0.47 0.59 -1.83 -1.32 0.00 0.00 176.35 173.41 3juy s GLU 248 N -0.28 3.96 0.00 1.98 -1.05 -1.17 -3.14 118.70 119.00 3juy s GLU 248 Ca 0.27 0.49 0.00 0.00 -0.15 0.00 0.00 54.97 55.58 3juy s GLU 248 Cb -0.09 -2.79 0.00 0.00 -0.44 0.00 0.00 34.13 30.81 3juy s GLU 248 CO -0.08 0.39 0.33 -2.13 0.95 0.00 0.00 175.26 174.72